Ligand source activities (1 row/activity)



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Ligands (move mouse cursor over ligand name to see structure) Receptor Assay information Chemical information
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name		 GPCRdb
ID		 #Vendors

 Reference
ligand		 Fold
selectivity		 # Tested
GPCRs		 Species

 p-value
(-log)		 Activity
Type		 Activity
Relation		 Activity
Value		 AssayType

 Assay
Description		 Source

 Mol
weight		 Rot
Bonds		 H don

 H acc

 LogP

 Smiles

 DOI
1765 3817 98 None -22 8 Human 5.9 pIC50 = 5.9 Functional
Antagonist activity at human P2Y13R expressed in HEK293 cells assessed as inhibition of 2MeSADP-induced cAMP production preincubated for 0.5 hrs followed by 2MeSADP stimulation by cAMP-glo assayAntagonist activity at human P2Y13R expressed in HEK293 cells assessed as inhibition of 2MeSADP-induced cAMP production preincubated for 0.5 hrs followed by 2MeSADP stimulation by cAMP-glo assay
ChEMBL 522 10 4 11 2.0 CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(c(c2)F)F)c2c(n1)n(nn2)[C@@H]1C[C@@H]([C@H]([C@H]1O)O)OCCO 10.1021/acs.jmedchem.2c01632
4184 3817 98 None -22 8 Human 5.9 pIC50 = 5.9 Functional
Antagonist activity at human P2Y13R expressed in HEK293 cells assessed as inhibition of 2MeSADP-induced cAMP production preincubated for 0.5 hrs followed by 2MeSADP stimulation by cAMP-glo assayAntagonist activity at human P2Y13R expressed in HEK293 cells assessed as inhibition of 2MeSADP-induced cAMP production preincubated for 0.5 hrs followed by 2MeSADP stimulation by cAMP-glo assay
ChEMBL 522 10 4 11 2.0 CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(c(c2)F)F)c2c(n1)n(nn2)[C@@H]1C[C@@H]([C@H]([C@H]1O)O)OCCO 10.1021/acs.jmedchem.2c01632
9871419 3817 98 None -22 8 Human 5.9 pIC50 = 5.9 Functional
Antagonist activity at human P2Y13R expressed in HEK293 cells assessed as inhibition of 2MeSADP-induced cAMP production preincubated for 0.5 hrs followed by 2MeSADP stimulation by cAMP-glo assayAntagonist activity at human P2Y13R expressed in HEK293 cells assessed as inhibition of 2MeSADP-induced cAMP production preincubated for 0.5 hrs followed by 2MeSADP stimulation by cAMP-glo assay
ChEMBL 522 10 4 11 2.0 CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(c(c2)F)F)c2c(n1)n(nn2)[C@@H]1C[C@@H]([C@H]([C@H]1O)O)OCCO 10.1021/acs.jmedchem.2c01632
CHEMBL398435 3817 98 None -22 8 Human 5.9 pIC50 = 5.9 Functional
Antagonist activity at human P2Y13R expressed in HEK293 cells assessed as inhibition of 2MeSADP-induced cAMP production preincubated for 0.5 hrs followed by 2MeSADP stimulation by cAMP-glo assayAntagonist activity at human P2Y13R expressed in HEK293 cells assessed as inhibition of 2MeSADP-induced cAMP production preincubated for 0.5 hrs followed by 2MeSADP stimulation by cAMP-glo assay
ChEMBL 522 10 4 11 2.0 CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(c(c2)F)F)c2c(n1)n(nn2)[C@@H]1C[C@@H]([C@H]([C@H]1O)O)OCCO 10.1021/acs.jmedchem.2c01632
DB08816 3817 98 None -22 8 Human 5.9 pIC50 = 5.9 Functional
Antagonist activity at human P2Y13R expressed in HEK293 cells assessed as inhibition of 2MeSADP-induced cAMP production preincubated for 0.5 hrs followed by 2MeSADP stimulation by cAMP-glo assayAntagonist activity at human P2Y13R expressed in HEK293 cells assessed as inhibition of 2MeSADP-induced cAMP production preincubated for 0.5 hrs followed by 2MeSADP stimulation by cAMP-glo assay
ChEMBL 522 10 4 11 2.0 CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(c(c2)F)F)c2c(n1)n(nn2)[C@@H]1C[C@@H]([C@H]([C@H]1O)O)OCCO 10.1021/acs.jmedchem.2c01632
1713 520 68 None -8 10 Human 8.3 pIC50 = 8.3 Functional
NoneNone
Drug Central 507 8 7 14 -1.6 O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=O)(O)O)O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N None
5957 520 68 None -8 10 Human 8.3 pIC50 = 8.3 Functional
NoneNone
Drug Central 507 8 7 14 -1.6 O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=O)(O)O)O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N None
91 520 68 None -8 10 Human 8.3 pIC50 = 8.3 Functional
NoneNone
Drug Central 507 8 7 14 -1.6 O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=O)(O)O)O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N None
CHEMBL14249 520 68 None -8 10 Human 8.3 pIC50 = 8.3 Functional
NoneNone
Drug Central 507 8 7 14 -1.6 O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=O)(O)O)O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N None
DB00171 520 68 None -8 10 Human 8.3 pIC50 = 8.3 Functional
NoneNone
Drug Central 507 8 7 14 -1.6 O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=O)(O)O)O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N None
135973538 3710 33 None 2 10 Human 8.3 pIC50 = 8.3 Functional
NoneNone
Drug Central 1296 16 12 17 6.7 O=C(Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O None
1728 3710 33 None 2 10 Human 8.3 pIC50 = 8.3 Functional
NoneNone
Drug Central 1296 16 12 17 6.7 O=C(Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O None
2966 3710 33 None 2 10 Human 8.3 pIC50 = 8.3 Functional
NoneNone
Drug Central 1296 16 12 17 6.7 O=C(Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O None
4261196 3710 33 None 2 10 Human 8.3 pIC50 = 8.3 Functional
NoneNone
Drug Central 1296 16 12 17 6.7 O=C(Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O None
5361 3710 33 None 2 10 Human 8.3 pIC50 = 8.3 Functional
NoneNone
Drug Central 1296 16 12 17 6.7 O=C(Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O None
CHEMBL265502 3710 33 None 2 10 Human 8.3 pIC50 = 8.3 Functional
NoneNone
Drug Central 1296 16 12 17 6.7 O=C(Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O None
DB04786 3710 33 None 2 10 Human 8.3 pIC50 = 8.3 Functional
NoneNone
Drug Central 1296 16 12 17 6.7 O=C(Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O None
1776 787 38 None -9 4 Human 8.1 pIC50 = 8.1 Functional
NoneNone
Drug Central 775 15 7 15 2.9 CSCCNc1nc(SCCC(F)(F)F)nc2c1ncn2[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(C(P(=O)(O)O)(Cl)Cl)O)O None
5006 787 38 None -9 4 Human 8.1 pIC50 = 8.1 Functional
NoneNone
Drug Central 775 15 7 15 2.9 CSCCNc1nc(SCCC(F)(F)F)nc2c1ncn2[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(C(P(=O)(O)O)(Cl)Cl)O)O None
9854012 787 38 None -9 4 Human 8.1 pIC50 = 8.1 Functional
NoneNone
Drug Central 775 15 7 15 2.9 CSCCNc1nc(SCCC(F)(F)F)nc2c1ncn2[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(C(P(=O)(O)O)(Cl)Cl)O)O None
CHEMBL334966 787 38 None -9 4 Human 8.1 pIC50 = 8.1 Functional
NoneNone
Drug Central 775 15 7 15 2.9 CSCCNc1nc(SCCC(F)(F)F)nc2c1ncn2[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(C(P(=O)(O)O)(Cl)Cl)O)O None
DB06441 787 38 None -9 4 Human 8.1 pIC50 = 8.1 Functional
NoneNone
Drug Central 775 15 7 15 2.9 CSCCNc1nc(SCCC(F)(F)F)nc2c1ncn2[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(C(P(=O)(O)O)(Cl)Cl)O)O None
1764 76 0 None 1 2 Human 5.6 pIC50 = 5.6 Functional
UnclassifiedUnclassified
Guide to Pharmacology 393 5 5 11 -1.1 CSc1nc(N)c2c(n1)n(cn2)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(O)O 12815166
189762 76 0 None 1 2 Human 5.6 pIC50 = 5.6 Functional
UnclassifiedUnclassified
Guide to Pharmacology 393 5 5 11 -1.1 CSc1nc(N)c2c(n1)n(cn2)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(O)O 12815166
CHEMBL606240 76 0 None 1 2 Human 5.6 pIC50 = 5.6 Functional
UnclassifiedUnclassified
Guide to Pharmacology 393 5 5 11 -1.1 CSc1nc(N)c2c(n1)n(cn2)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(O)O 12815166
1755 289 17 None -794 6 Human 5.7 pIC50 = 5.7 Functional
UnclassifiedUnclassified
Guide to Pharmacology 443 6 6 12 -1.6 O[C@@H]1[C@@H](COP(=O)(OP(=S)(O)O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N 12815166
5310996 289 17 None -794 6 Human 5.7 pIC50 = 5.7 Functional
UnclassifiedUnclassified
Guide to Pharmacology 443 6 6 12 -1.6 O[C@@H]1[C@@H](COP(=O)(OP(=S)(O)O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N 12815166
CHEMBL335206 289 17 None -794 6 Human 5.7 pIC50 = 5.7 Functional
UnclassifiedUnclassified
Guide to Pharmacology 443 6 6 12 -1.6 O[C@@H]1[C@@H](COP(=O)(OP(=S)(O)O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N 12815166
136078744 2645 0 None - 1 Human 6.0 pIC50 = 6.0 Functional
UnclassifiedUnclassified
Guide to Pharmacology 432 7 4 9 3.2 OCc1c(COP(=O)(O)O)c(/N=N/c2cc(ccc2Cl)N(=O)=O)nc(c1O)C 15913566
1777 2645 0 None - 1 Human 6.0 pIC50 = 6.0 Functional
UnclassifiedUnclassified
Guide to Pharmacology 432 7 4 9 3.2 OCc1c(COP(=O)(O)O)c(/N=N/c2cc(ccc2Cl)N(=O)=O)nc(c1O)C 15913566
135545444 2653 0 None - 1 Human 6.2 pIC50 = 6.2 Functional
UnclassifiedUnclassified
Guide to Pharmacology 430 7 3 8 1.6 O=CC1=C(COP(=O)(O)O)/C(=N/Nc2ccc(c(c2)[N+](=O)[O-])Cl)/N=C(C1=O)C 15913566
1778 2653 0 None - 1 Human 6.2 pIC50 = 6.2 Functional
UnclassifiedUnclassified
Guide to Pharmacology 430 7 3 8 1.6 O=CC1=C(COP(=O)(O)O)/C(=N/Nc2ccc(c(c2)[N+](=O)[O-])Cl)/N=C(C1=O)C 15913566
1712 288 69 None -7 6 Human 6.5 pIC50 = 6.5 Functional
UnclassifiedUnclassified
Guide to Pharmacology 427 6 6 12 -1.7 O[C@@H]1[C@@H](COP(=O)(OP(=O)(O)O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N 12815166
6022 288 69 None -7 6 Human 6.5 pIC50 = 6.5 Functional
UnclassifiedUnclassified
Guide to Pharmacology 427 6 6 12 -1.7 O[C@@H]1[C@@H](COP(=O)(OP(=O)(O)O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N 12815166
CHEMBL14830 288 69 None -7 6 Human 6.5 pIC50 = 6.5 Functional
UnclassifiedUnclassified
Guide to Pharmacology 427 6 6 12 -1.7 O[C@@H]1[C@@H](COP(=O)(OP(=O)(O)O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N 12815166
1732 450 0 None 3 4 Human 6.7 pIC50 = 6.7 Functional
UnclassifiedUnclassified
Guide to Pharmacology 832 14 6 29 -5.0 O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=O)(OP(=O)(OC[C@H]2O[C@H]([C@@H]([C@@H]2O)O)n2cnc3c2ncnc3N)[O-])[O-])[O-])[O-])O[C@H]([C@@H]1O)n1cnc2c1ncnc2N 12815166
25243905 450 0 None 3 4 Human 6.7 pIC50 = 6.7 Functional
UnclassifiedUnclassified
Guide to Pharmacology 832 14 6 29 -5.0 O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=O)(OP(=O)(OC[C@H]2O[C@H]([C@@H]([C@@H]2O)O)n2cnc3c2ncnc3N)[O-])[O-])[O-])[O-])O[C@H]([C@@H]1O)n1cnc2c1ncnc2N 12815166
1711 77 15 None -18 7 Human 7.7 pIC50 = 7.7 Functional
UnclassifiedUnclassified
Guide to Pharmacology 553 9 7 15 -0.9 CSc1nc(N)c2c(n1)n(cn2)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(OP(=O)(O)O)O)O 12815166
5310983 77 15 None -18 7 Human 7.7 pIC50 = 7.7 Functional
UnclassifiedUnclassified
Guide to Pharmacology 553 9 7 15 -0.9 CSc1nc(N)c2c(n1)n(cn2)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(OP(=O)(O)O)O)O 12815166
CHEMBL336208 77 15 None -18 7 Human 7.7 pIC50 = 7.7 Functional
UnclassifiedUnclassified
Guide to Pharmacology 553 9 7 15 -0.9 CSc1nc(N)c2c(n1)n(cn2)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(OP(=O)(O)O)O)O 12815166
1776 787 38 None -9 4 Human 8.3 pIC50 = 8.3 Functional
UnclassifiedUnclassified
Guide to Pharmacology 775 15 7 15 2.9 CSCCNc1nc(SCCC(F)(F)F)nc2c1ncn2[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(C(P(=O)(O)O)(Cl)Cl)O)O 12815166
5006 787 38 None -9 4 Human 8.3 pIC50 = 8.3 Functional
UnclassifiedUnclassified
Guide to Pharmacology 775 15 7 15 2.9 CSCCNc1nc(SCCC(F)(F)F)nc2c1ncn2[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(C(P(=O)(O)O)(Cl)Cl)O)O 12815166
9854012 787 38 None -9 4 Human 8.3 pIC50 = 8.3 Functional
UnclassifiedUnclassified
Guide to Pharmacology 775 15 7 15 2.9 CSCCNc1nc(SCCC(F)(F)F)nc2c1ncn2[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(C(P(=O)(O)O)(Cl)Cl)O)O 12815166
CHEMBL334966 787 38 None -9 4 Human 8.3 pIC50 = 8.3 Functional
UnclassifiedUnclassified
Guide to Pharmacology 775 15 7 15 2.9 CSCCNc1nc(SCCC(F)(F)F)nc2c1ncn2[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(C(P(=O)(O)O)(Cl)Cl)O)O 12815166
DB06441 787 38 None -9 4 Human 8.3 pIC50 = 8.3 Functional
UnclassifiedUnclassified
Guide to Pharmacology 775 15 7 15 2.9 CSCCNc1nc(SCCC(F)(F)F)nc2c1ncn2[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(C(P(=O)(O)O)(Cl)Cl)O)O 12815166
121990 75 15 None 2 5 Human 9.0 pIC50 = 9 Functional
UnclassifiedUnclassified
Guide to Pharmacology 473 7 6 13 -1.0 CSc1nc(N)c2c(n1)n(cn2)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(O)O)O 12815166
1710 75 15 None 2 5 Human 9.0 pIC50 = 9 Functional
UnclassifiedUnclassified
Guide to Pharmacology 473 7 6 13 -1.0 CSc1nc(N)c2c(n1)n(cn2)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(O)O)O 12815166
1763 75 15 None 2 5 Human 9.0 pIC50 = 9 Functional
UnclassifiedUnclassified
Guide to Pharmacology 473 7 6 13 -1.0 CSc1nc(N)c2c(n1)n(cn2)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(O)O)O 12815166
CHEMBL435402 75 15 None 2 5 Human 9.0 pIC50 = 9 Functional
UnclassifiedUnclassified
Guide to Pharmacology 473 7 6 13 -1.0 CSc1nc(N)c2c(n1)n(cn2)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(=O)(OP(=O)(O)O)O 12815166
1725 3153 17 None -3 6 Human 4.9 pIC50 None 4.9 Functional
UnclassifiedUnclassified
Guide to Pharmacology 511 8 5 11 1.4 O=Cc1c(COP(=O)(O)O)c(/N=N/c2ccc(cc2S(=O)(=O)O)S(=O)(=O)O)nc(c1O)C 12815166
4881 3153 17 None -3 6 Human 4.9 pIC50 None 4.9 Functional
UnclassifiedUnclassified
Guide to Pharmacology 511 8 5 11 1.4 O=Cc1c(COP(=O)(O)O)c(/N=N/c2ccc(cc2S(=O)(=O)O)S(=O)(=O)O)nc(c1O)C 12815166
CHEMBL1437958 3153 17 None -3 6 Human 4.9 pIC50 None 4.9 Functional
UnclassifiedUnclassified
Guide to Pharmacology 511 8 5 11 1.4 O=Cc1c(COP(=O)(O)O)c(/N=N/c2ccc(cc2S(=O)(=O)O)S(=O)(=O)O)nc(c1O)C 12815166
CHEMBL69234 3153 17 None -3 6 Human 4.9 pIC50 None 4.9 Functional
UnclassifiedUnclassified
Guide to Pharmacology 511 8 5 11 1.4 O=Cc1c(COP(=O)(O)O)c(/N=N/c2ccc(cc2S(=O)(=O)O)S(=O)(=O)O)nc(c1O)C 12815166
1713 520 68 None -8 10 Human 5.4 pIC50 None 5.4 Functional
UnclassifiedUnclassified
Guide to Pharmacology 507 8 7 14 -1.6 O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=O)(O)O)O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N 12815166
5957 520 68 None -8 10 Human 5.4 pIC50 None 5.4 Functional
UnclassifiedUnclassified
Guide to Pharmacology 507 8 7 14 -1.6 O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=O)(O)O)O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N 12815166
91 520 68 None -8 10 Human 5.4 pIC50 None 5.4 Functional
UnclassifiedUnclassified
Guide to Pharmacology 507 8 7 14 -1.6 O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=O)(O)O)O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N 12815166
CHEMBL14249 520 68 None -8 10 Human 5.4 pIC50 None 5.4 Functional
UnclassifiedUnclassified
Guide to Pharmacology 507 8 7 14 -1.6 O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=O)(O)O)O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N 12815166
DB00171 520 68 None -8 10 Human 5.4 pIC50 None 5.4 Functional
UnclassifiedUnclassified
Guide to Pharmacology 507 8 7 14 -1.6 O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=O)(O)O)O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N 12815166
1714 521 0 None -79 3 Human 5.5 pIC50 None 5.5 Functional
UnclassifiedUnclassified
Guide to Pharmacology 519 8 3 18 -4.0 O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=S)([O-])[O-])[O-])[O-])O[C@H]([C@@H]1O)n1cnc2c1ncnc2N 12815166
44123300 521 0 None -79 3 Human 5.5 pIC50 None 5.5 Functional
UnclassifiedUnclassified
Guide to Pharmacology 519 8 3 18 -4.0 O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=S)([O-])[O-])[O-])[O-])O[C@H]([C@@H]1O)n1cnc2c1ncnc2N 12815166
135973538 3710 33 None 2 10 Human 5.6 pIC50 None 5.6 Functional
UnclassifiedUnclassified
Guide to Pharmacology 1296 16 12 17 6.7 O=C(Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O 12815166
1728 3710 33 None 2 10 Human 5.6 pIC50 None 5.6 Functional
UnclassifiedUnclassified
Guide to Pharmacology 1296 16 12 17 6.7 O=C(Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O 12815166
2966 3710 33 None 2 10 Human 5.6 pIC50 None 5.6 Functional
UnclassifiedUnclassified
Guide to Pharmacology 1296 16 12 17 6.7 O=C(Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O 12815166
4261196 3710 33 None 2 10 Human 5.6 pIC50 None 5.6 Functional
UnclassifiedUnclassified
Guide to Pharmacology 1296 16 12 17 6.7 O=C(Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O 12815166
5361 3710 33 None 2 10 Human 5.6 pIC50 None 5.6 Functional
UnclassifiedUnclassified
Guide to Pharmacology 1296 16 12 17 6.7 O=C(Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O 12815166
CHEMBL265502 3710 33 None 2 10 Human 5.6 pIC50 None 5.6 Functional
UnclassifiedUnclassified
Guide to Pharmacology 1296 16 12 17 6.7 O=C(Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O 12815166
DB04786 3710 33 None 2 10 Human 5.6 pIC50 None 5.6 Functional
UnclassifiedUnclassified
Guide to Pharmacology 1296 16 12 17 6.7 O=C(Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O 12815166
136677322 3296 24 None -77 9 Human 5.7 pIC50 None 5.7 Functional
UnclassifiedUnclassified
Guide to Pharmacology 773 9 7 15 3.9 OS(=O)(=O)c1cc(Nc2ccc(c(c2)S(=O)(=O)O)Nc2nc(Cl)nc(n2)Nc2cccc(c2)S(=O)(=O)O)c2c(c1N)C(=O)c1c(C2=O)cccc1 12815166
1739 3296 24 None -77 9 Human 5.7 pIC50 None 5.7 Functional
UnclassifiedUnclassified
Guide to Pharmacology 773 9 7 15 3.9 OS(=O)(=O)c1cc(Nc2ccc(c(c2)S(=O)(=O)O)Nc2nc(Cl)nc(n2)Nc2cccc(c2)S(=O)(=O)O)c2c(c1N)C(=O)c1c(C2=O)cccc1 12815166
656725 3296 24 None -77 9 Human 5.7 pIC50 None 5.7 Functional
UnclassifiedUnclassified
Guide to Pharmacology 773 9 7 15 3.9 OS(=O)(=O)c1cc(Nc2ccc(c(c2)S(=O)(=O)O)Nc2nc(Cl)nc(n2)Nc2cccc(c2)S(=O)(=O)O)c2c(c1N)C(=O)c1c(C2=O)cccc1 12815166
CHEMBL1160031 3296 24 None -77 9 Human 5.7 pIC50 None 5.7 Functional
UnclassifiedUnclassified
Guide to Pharmacology 773 9 7 15 3.9 OS(=O)(=O)c1cc(Nc2ccc(c(c2)S(=O)(=O)O)Nc2nc(Cl)nc(n2)Nc2cccc(c2)S(=O)(=O)O)c2c(c1N)C(=O)c1c(C2=O)cccc1 12815166


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Ligands (move mouse cursor over ligand name to see structure) Receptor Assay information Chemical information
Sel. page Similar-
ity		 Common
name		 GPCRdb
ID		 #Vendors

 Reference
ligand		 Fold
selectivity		 # Tested
GPCRs		 Species

 p-value
(-log)		 Activity
Type		 Activity
Relation		 Activity
Value		 Assay
Type		 Assay
Description		 Source

 Mol
weight		 Rot
Bonds		 H don

 H acc

 LogP

 Smiles

 DOI
135405867 84405 1 None - 0 Human 6.0 pIC50 = 6.0 Binding
Antagonist activity at human P2Y13Antagonist activity at human P2Y13
ChEMBL 430 7 3 9 3.5 Cc1nc(/N=N/c2cc([N+](=O)[O-])ccc2Cl)c(COP(=O)(O)O)c(C=O)c1O 10.1021/acs.jmedchem.5b01972
CHEMBL2219665 84405 1 None - 0 Human 6.0 pIC50 = 6.0 Binding
Antagonist activity at human P2Y13Antagonist activity at human P2Y13
ChEMBL 430 7 3 9 3.5 Cc1nc(/N=N/c2cc([N+](=O)[O-])ccc2Cl)c(COP(=O)(O)O)c(C=O)c1O 10.1021/acs.jmedchem.5b01972
1725 3153 17 None - 1 Human 4.9 pIC50 = 4.9 Binding
Antagonist activity at P2Y13 (unknown origin)Antagonist activity at P2Y13 (unknown origin)
ChEMBL 511 8 5 11 1.4 O=Cc1c(COP(=O)(O)O)c(/N=N/c2ccc(cc2S(=O)(=O)O)S(=O)(=O)O)nc(c1O)C 10.1021/acs.jmedchem.5b01972
4881 3153 17 None - 1 Human 4.9 pIC50 = 4.9 Binding
Antagonist activity at P2Y13 (unknown origin)Antagonist activity at P2Y13 (unknown origin)
ChEMBL 511 8 5 11 1.4 O=Cc1c(COP(=O)(O)O)c(/N=N/c2ccc(cc2S(=O)(=O)O)S(=O)(=O)O)nc(c1O)C 10.1021/acs.jmedchem.5b01972
CHEMBL1437958 3153 17 None - 1 Human 4.9 pIC50 = 4.9 Binding
Antagonist activity at P2Y13 (unknown origin)Antagonist activity at P2Y13 (unknown origin)
ChEMBL 511 8 5 11 1.4 O=Cc1c(COP(=O)(O)O)c(/N=N/c2ccc(cc2S(=O)(=O)O)S(=O)(=O)O)nc(c1O)C 10.1021/acs.jmedchem.5b01972
CHEMBL69234 3153 17 None - 1 Human 4.9 pIC50 = 4.9 Binding
Antagonist activity at P2Y13 (unknown origin)Antagonist activity at P2Y13 (unknown origin)
ChEMBL 511 8 5 11 1.4 O=Cc1c(COP(=O)(O)O)c(/N=N/c2ccc(cc2S(=O)(=O)O)S(=O)(=O)O)nc(c1O)C 10.1021/acs.jmedchem.5b01972
136677322 3296 24 None - 1 Human 5.7 pIC50 = 5.7 Binding
Antagonist activity at P2Y13 (unknown origin)Antagonist activity at P2Y13 (unknown origin)
ChEMBL 773 9 7 15 3.9 OS(=O)(=O)c1cc(Nc2ccc(c(c2)S(=O)(=O)O)Nc2nc(Cl)nc(n2)Nc2cccc(c2)S(=O)(=O)O)c2c(c1N)C(=O)c1c(C2=O)cccc1 10.1021/acs.jmedchem.5b01972
1739 3296 24 None - 1 Human 5.7 pIC50 = 5.7 Binding
Antagonist activity at P2Y13 (unknown origin)Antagonist activity at P2Y13 (unknown origin)
ChEMBL 773 9 7 15 3.9 OS(=O)(=O)c1cc(Nc2ccc(c(c2)S(=O)(=O)O)Nc2nc(Cl)nc(n2)Nc2cccc(c2)S(=O)(=O)O)c2c(c1N)C(=O)c1c(C2=O)cccc1 10.1021/acs.jmedchem.5b01972
656725 3296 24 None - 1 Human 5.7 pIC50 = 5.7 Binding
Antagonist activity at P2Y13 (unknown origin)Antagonist activity at P2Y13 (unknown origin)
ChEMBL 773 9 7 15 3.9 OS(=O)(=O)c1cc(Nc2ccc(c(c2)S(=O)(=O)O)Nc2nc(Cl)nc(n2)Nc2cccc(c2)S(=O)(=O)O)c2c(c1N)C(=O)c1c(C2=O)cccc1 10.1021/acs.jmedchem.5b01972
CHEMBL1160031 3296 24 None - 1 Human 5.7 pIC50 = 5.7 Binding
Antagonist activity at P2Y13 (unknown origin)Antagonist activity at P2Y13 (unknown origin)
ChEMBL 773 9 7 15 3.9 OS(=O)(=O)c1cc(Nc2ccc(c(c2)S(=O)(=O)O)Nc2nc(Cl)nc(n2)Nc2cccc(c2)S(=O)(=O)O)c2c(c1N)C(=O)c1c(C2=O)cccc1 10.1021/acs.jmedchem.5b01972
135973538 3710 33 None - 2 Human 5.6 pIC50 = 5.6 Binding
Antagonist activity at P2Y13 (unknown origin)Antagonist activity at P2Y13 (unknown origin)
ChEMBL 1296 16 12 17 6.7 O=C(Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O 10.1021/acs.jmedchem.5b01972
1728 3710 33 None - 2 Human 5.6 pIC50 = 5.6 Binding
Antagonist activity at P2Y13 (unknown origin)Antagonist activity at P2Y13 (unknown origin)
ChEMBL 1296 16 12 17 6.7 O=C(Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O 10.1021/acs.jmedchem.5b01972
2966 3710 33 None - 2 Human 5.6 pIC50 = 5.6 Binding
Antagonist activity at P2Y13 (unknown origin)Antagonist activity at P2Y13 (unknown origin)
ChEMBL 1296 16 12 17 6.7 O=C(Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O 10.1021/acs.jmedchem.5b01972
4261196 3710 33 None - 2 Human 5.6 pIC50 = 5.6 Binding
Antagonist activity at P2Y13 (unknown origin)Antagonist activity at P2Y13 (unknown origin)
ChEMBL 1296 16 12 17 6.7 O=C(Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O 10.1021/acs.jmedchem.5b01972
5361 3710 33 None - 2 Human 5.6 pIC50 = 5.6 Binding
Antagonist activity at P2Y13 (unknown origin)Antagonist activity at P2Y13 (unknown origin)
ChEMBL 1296 16 12 17 6.7 O=C(Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O 10.1021/acs.jmedchem.5b01972
CHEMBL265502 3710 33 None - 2 Human 5.6 pIC50 = 5.6 Binding
Antagonist activity at P2Y13 (unknown origin)Antagonist activity at P2Y13 (unknown origin)
ChEMBL 1296 16 12 17 6.7 O=C(Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O 10.1021/acs.jmedchem.5b01972
DB04786 3710 33 None - 2 Human 5.6 pIC50 = 5.6 Binding
Antagonist activity at P2Y13 (unknown origin)Antagonist activity at P2Y13 (unknown origin)
ChEMBL 1296 16 12 17 6.7 O=C(Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)Nc1cccc(c1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(c2c1c(cc(c2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O 10.1021/acs.jmedchem.5b01972
CHEMBL5281019 194095 0 None - 0 Human 6.2 pIC50 = 6.2 Binding
Antagonist activity at human P2Y13Antagonist activity at human P2Y13
ChEMBL 430 7 3 9 3.5 Cc1nc(/N=N/c2ccc(Cl)c([N+](=O)[O-])c2)c(COP(=O)(O)O)c(C=O)c1O 10.1021/acs.jmedchem.5b01972