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Ligand source activities (1 row/activity)

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Potency

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	Ligands				Receptor	Activity									Chemical information
	Common name	GPCRdb ID	Reference ligand	Vendors	Species	Assay Type	Activity Type	Activity Relation	Activity Value	p-value (-log)	Fold selectivity	Tested GPCRs	Assay Description	Source	Mol weight	Rot Bonds	H don	H acc	LogP	Smiles	DOI

Ligands				Receptor	Activity									Chemical information
Common name	GPCRdb ID	Reference ligand	Vendors	Species	Assay Type	Activity Type	Activity Relation	Activity Value	p-value (-log)	Fold selectivity	Tested GPCRs	Assay Description	Source	Mol weight	Rot Bonds	H don	H acc	LogP	Smiles	DOI

CHEMBL31344	106181	None	49	Human	Binding	Ki	=	2320.00	5.63	-	3	Displacement of [3H]PSB-12150 from human GPR17 expressed in CHO-K1 cell membranes after 60 mins by competition binding assay	ChEMBL	301.0	4	3	2	3.19	O=C(O)CCc1c(C(=O)O)[nH]c2cc(Cl)cc(Cl)c12	https://dx.doi.org/10.1021/ml400399f
CHEMBL31344	106181	None	49	Human	Binding	Ki	=	1210.00	5.92	-	3	Displacement of [3H]PSB-12150 from human GPR17 expressed in CHO-K1 cell membranes after 60 mins by homologous competition binding assay in presence of pranlukast	ChEMBL	301.0	4	3	2	3.19	O=C(O)CCc1c(C(=O)O)[nH]c2cc(Cl)cc(Cl)c12	https://dx.doi.org/10.1021/ml400399f
CHEMBL31344	106181	None	49	Human	Binding	Ki	=	2450.00	5.61	-	3	Displacement of [3H]PSB-12150 from human GPR17 expressed in CHO cell membranes after 60 mins by liquid scintillation counting	ChEMBL	301.0	4	3	2	3.19	O=C(O)CCc1c(C(=O)O)[nH]c2cc(Cl)cc(Cl)c12	https://dx.doi.org/10.1021/acs.jmedchem.7b01768
CHEMBL31344	106181	None	49	Human	Binding	Kd	=	1256.00	5.90	-	3	Binding affinity to human GPR17 expressed in CHO-K1 cell membranes after 60 mins by saturation curve study	ChEMBL	301.0	4	3	2	3.19	O=C(O)CCc1c(C(=O)O)[nH]c2cc(Cl)cc(Cl)c12	https://dx.doi.org/10.1021/ml400399f
CHEMBL4206497	163940	None	0	Human	Binding	Ki	=	1500.00	5.82	-	2	Displacement of [3H]PSB-12150 from human GPR17 expressed in CHO cell membranes after 60 mins by liquid scintillation counting	ChEMBL	333.2	10	3	3	3.84	CCCCCCOc1ccc2c(CCC(=O)O)c(C(=O)O)[nH]c2c1	https://dx.doi.org/10.1021/acs.jmedchem.7b01768
CHEMBL4215280	164660	None	0	Human	Binding	Ki	=	13100.00	4.88	-	3	Displacement of [3H]PSB-12150 from human GPR17 expressed in CHO cell membranes after 60 mins by liquid scintillation counting	ChEMBL	367.1	10	3	3	4.50	CCCCCCOc1cc(Cl)c2c(CCC(=O)O)c(C(=O)O)[nH]c2c1	https://dx.doi.org/10.1021/acs.jmedchem.7b01768
GAVESTINEL	172551	None	21	Human	Binding	Ki	=	1630.00	5.79	-	2	Displacement of [3H]PSB-12150 from human GPR17 expressed in CHO-K1 cell membranes after 60 mins by heterologous competition binding assay	ChEMBL	374.0	4	3	2	4.83	O=C(/C=C/c1c(C(=O)O)[nH]c2cc(Cl)cc(Cl)c12)Nc1ccccc1	https://dx.doi.org/10.1021/ml400399f
montelukast	2592	None	44	Human	Binding	pKi	=	5.18	8.29	-87	21	Displacement of [3H]PSB-12150 from human GPR17 expressed in CHO-K1 cell membranes after 60 mins by heterologous competition binding assay	Drug Central	585.2	12	2	4	8.95	CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)O)CC1)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1	-
montelukast	2592	None	44	Human	Binding	Ki	=	6540.00	5.18	-87	21	Displacement of [3H]PSB-12150 from human GPR17 expressed in CHO-K1 cell membranes after 60 mins by heterologous competition binding assay	ChEMBL	585.2	12	2	4	8.95	CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)O)CC1)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1	https://dx.doi.org/10.1021/ml400399f
pranlukast	3162	None	53	Human	Binding	Ki	=	4060.00	5.39	-54	11	Displacement of [3H]PSB-12150 from human GPR17 expressed in CHO-K1 cell membranes after 60 mins by heterologous competition binding assay	ChEMBL	481.2	9	2	7	4.63	O=C(Nc1cccc2c(=O)cc(-c3nnn[nH]3)oc12)c1ccc(OCCCCc2ccccc2)cc1	https://dx.doi.org/10.1021/ml400399f
pranlukast	3162	None	53	Human	Binding	pKi	=	5.39	8.27	-54	11	Displacement of [3H]PSB-12150 from human GPR17 expressed in CHO-K1 cell membranes after 60 mins by heterologous competition binding assay	Drug Central	481.2	9	2	7	4.63	O=C(Nc1cccc2c(=O)cc(-c3nnn[nH]3)oc12)c1ccc(OCCCCc2ccccc2)cc1	-

Showing 1 to 11 of 11 entries

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	Ligands				Receptor	Activity									Chemical information
	Common name	GPCRdb ID	Reference ligand	Vendors	Species	Assay Type	Activity Type	Activity Relation	Activity Value	p-value (-log)	Fold selectivity	Tested GPCRs	Assay Description	Source	Mol weight	Rot Bonds	H don	H acc	LogP	Smiles	DOI

Ligands				Receptor	Activity									Chemical information
Common name	GPCRdb ID	Reference ligand	Vendors	Species	Assay Type	Activity Type	Activity Relation	Activity Value	p-value (-log)	Fold selectivity	Tested GPCRs	Assay Description	Source	Mol weight	Rot Bonds	H don	H acc	LogP	Smiles	DOI

ASN02563583	497	None	0	Human	Functional	pEC50	=	-	9.96	-	1	Unclassified	Guide to Pharmacology	460.2	8	1	7	5.07	COc1ccc(-n2c(SC(C)C(=O)Nc3ccccc3)nnc2-c2ccccc2OC)cc1	https://pubmed.ncbi.nlm.nih.gov/21744154
ASN04421891	498	None	0	Human	Functional	pEC50	=	-	8.44	-	1	Unclassified	Guide to Pharmacology	524.3	12	1	8	4.00	COCCn1nnnc1C(c1cc2cc(OC)ccc2[nH]c1=O)N(CCc1ccccc1)Cc1ccccc1	https://pubmed.ncbi.nlm.nih.gov/21744154
ASN04450772	499	None	0	Human	Functional	pEC50	=	-	8.93	-	1	Unclassified	Guide to Pharmacology	535.2	10	4	9	2.83	COc1ccc(CNC(=O)C(c2ccc(O)cc2)N(Cc2ccco2)C(=O)c2snc(C(N)=O)c2N)cc1	https://pubmed.ncbi.nlm.nih.gov/21744154
ASN04885796	500	None	0	Human	Functional	pEC50	=	-	9.96	-	1	Unclassified	Guide to Pharmacology	517.2	9	1	7	3.65	COc1ccc(N(C(=O)Cn2nnc3ccccc32)C(C(=O)NCC2CCCO2)c2ccc(F)cc2)cc1	https://pubmed.ncbi.nlm.nih.gov/21744154
ASN06917370	501	None	0	Human	Functional	pEC50	=	-	9.57	-	1	Unclassified	Guide to Pharmacology	531.1	4	2	6	4.65	O=C(Nc1ccc(C(F)(F)F)cc1)N1CCC(c2nc(=O)c3nnn(Cc4ccccc4Cl)c3[nH]2)CC1	https://pubmed.ncbi.nlm.nih.gov/21744154
ATP	520	None	42	Human	Functional	pEC50	=	-	7.43	3	10	Unclassified	Guide to Pharmacology	507.0	8	7	14	-1.63	Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O	https://pubmed.ncbi.nlm.nih.gov/21773766
ATP	520	None	42	Human	Functional	pEC50	=	7.43	8.13	3	10	None	Drug Central	507.0	8	7	14	-1.63	Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O	-
cangrelor	787	None	27	Human	Functional	IC50	=	0.70	9.15	2	4	Antagonist activity at human GPR17 expressed in human 1321N1 cells assessed as inhibition of UDP-glucose-induced [35S]GTPgammaS binding after 30 mins by rapid filtration assay	ChEMBL	774.9	15	7	15	2.85	CSCCNc1nc(SCCC(F)(F)F)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)C(Cl)(Cl)P(=O)(O)O)[C@@H](O)[C@H]1O	https://dx.doi.org/10.1021/jm901691y
cangrelor	787	None	27	Mouse	Functional	pIC50	=	-	8.92	-4	4	Unclassified	Guide to Pharmacology	774.9	15	7	15	2.85	CSCCNc1nc(SCCC(F)(F)F)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)C(Cl)(Cl)P(=O)(O)O)[C@@H](O)[C@H]1O	https://pubmed.ncbi.nlm.nih.gov/18974869
cangrelor	787	None	27	Mouse	Functional	pIC50	=	8.92	8.05	-4	4	None	Drug Central	774.9	15	7	15	2.85	CSCCNc1nc(SCCC(F)(F)F)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)C(Cl)(Cl)P(=O)(O)O)[C@@H](O)[C@H]1O	-
CHEMBL1199042	14225	None	5	Human	Functional	IC50	=	112.00	6.95	169	2	Antagonist activity at human GPR17 expressed in human 1321N1 cells assessed as inhibition of UDP-glucose-induced [35S]GTPgammaS binding after 30 mins by rapid filtration assay	ChEMBL	521.0	9	7	14	-1.17	CNc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O	https://dx.doi.org/10.1021/jm901691y
CHEMBL1199057	14226	None	0	Human	Functional	IC50	=	582.00	6.24	1	2	Antagonist activity at human GPR17 expressed in human 1321N1 cells assessed as inhibition of UDP-glucose-induced [35S]GTPgammaS binding after 30 mins by rapid filtration assay	ChEMBL	445.0	6	5	10	-0.06	Nc1nc(Cl)nc2c1ncn2[C@H]1C[C@H](OP(=O)(O)O)[C@@H](COP(=O)(O)O)O1	https://dx.doi.org/10.1021/jm901691y
CHEMBL1199118	14230	None	0	Human	Functional	EC50	=	1.40	8.85	-	1	Agonist activity at human GPR17 expressed in human 1321N1 cells assessed as induction of [35S]GTPgammaS binding after 30 mins by rapid filtration assay	ChEMBL	575.1	10	7	14	0.14	O=P(O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)ncnc32)[C@H](O)[C@@H]1O	https://dx.doi.org/10.1021/jm901691y
CHEMBL1199140	14232	None	2	Human	Functional	EC50	=	0.04	10.44	-	1	Agonist activity at human GPR17 expressed in human 1321N1 cells assessed as induction of [35S]GTPgammaS binding after 30 mins by rapid filtration assay	ChEMBL	607.0	8	7	14	-0.23	Nc1nc(C#Cc2ccccc2)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O	https://dx.doi.org/10.1021/jm901691y
CHEMBL1199150	14234	None	0	Human	Functional	EC50	=	1.70	8.77	-	1	Agonist activity at human GPR17 expressed in human 1321N1 cells assessed as induction of [35S]GTPgammaS binding after 30 mins by rapid filtration assay	ChEMBL	554.0	9	7	13	0.09	CNc1nc(Cl)cc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O	https://dx.doi.org/10.1021/jm901691y
CHEMBL1199366	14246	None	0	Human	Functional	EC50	=	11.00	7.96	-	1	Agonist activity at human GPR17 expressed in human 1321N1 cells assessed as induction of [35S]GTPgammaS binding after 30 mins by rapid filtration assay	ChEMBL	555.0	9	7	14	-0.52	CNc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O	https://dx.doi.org/10.1021/jm901691y
CHEMBL129841	19482	None	17	Human	Functional	IC50	=	508.00	6.29	-1	3	Antagonist activity at human GPR17 expressed in human 1321N1 cells assessed as inhibition of UDP-glucose-induced [35S]GTPgammaS binding after 30 mins by rapid filtration assay	ChEMBL	425.1	7	5	10	-0.26	CNc1ncnc2c1ncn2[C@H]1C[C@H](OP(=O)(O)O)[C@@H](COP(=O)(O)O)O1	https://dx.doi.org/10.1021/jm901691y
CHEMBL295718	101249	None	4	Human	Functional	EC50	=	3715.35	5.43	-	1	Agonist activity at recombinant human GPR17 short isoform transfected in human 1321N1 cells assessed as mobilization of intracellular Ca2+ after 20 mins by oregon green 488 BAPTA-1/AM dye-based fluorescence assay	ChEMBL	267.0	4	3	2	2.54	O=C(O)CCc1c(C(=O)O)[nH]c2cc(Cl)ccc12	-
CHEMBL295718	101249	None	4	Human	Functional	EC50	=	20.42	7.69	-	1	Agonist activity at recombinant human GPR17 short isoform transfected in CHO cells assessed as mobilization of intracellular Ca2+ after 20 mins by oregon green 488 BAPTA-1/AM dye-based fluorescence assay	ChEMBL	267.0	4	3	2	2.54	O=C(O)CCc1c(C(=O)O)[nH]c2cc(Cl)ccc12	-
CHEMBL295718	101249	None	4	Human	Functional	EC50	=	3720.00	5.43	-	1	Agonist activity at human GPR17 expressed in human 1321N1 cells assessed as induction of calcium mobilization after 1 hr by Oregon Green BAPTA-1/AM dye-based fluorescence assay	ChEMBL	267.0	4	3	2	2.54	O=C(O)CCc1c(C(=O)O)[nH]c2cc(Cl)ccc12	https://dx.doi.org/10.1021/acs.jmedchem.7b01768

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Ligand source activities (1 row/activity)