GPCRdb

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

CHEMBL2181246	83043	None	0	Human	Binding	EC50	=	10.00	8.00	-	2	Agonist activity at TGR5 (unknown origin)	ChEMBL	398.1	3	0	3	5.77	O=C(c1cccnc1Oc1cc(Cl)ccc1Cl)N1CCCc2ccccc21	https://dx.doi.org/10.1016/j.ejmech.2013.07.050
CHEMBL2181246	83043	None	0	Human	Binding	EC50	=	10.00	8.00	-	2	Agonist activity at human TGR5	ChEMBL	398.1	3	0	3	5.77	O=C(c1cccnc1Oc1cc(Cl)ccc1Cl)N1CCCc2ccccc21	https://dx.doi.org/10.1021/acs.jmedchem.5b00342
CHEMBL2181246	83043	None	0	Human	Binding	EC50	=	10.00	8.00	-	2	Agonist activity at GPBAR1 in human NCI-H716 cells	ChEMBL	398.1	3	0	3	5.77	O=C(c1cccnc1Oc1cc(Cl)ccc1Cl)N1CCCc2ccccc21	https://dx.doi.org/10.1021/acs.jmedchem.5b01875
CHEMBL2181246	83043	None	0	Mouse	Binding	EC50	=	2560.00	5.59	-	2	Agonist activity at mouse TGR5	ChEMBL	398.1	3	0	3	5.77	O=C(c1cccnc1Oc1cc(Cl)ccc1Cl)N1CCCc2ccccc21	https://dx.doi.org/10.1021/acs.jmedchem.5b00342
CHEMBL2407929	91636	None	0	Human	Binding	EC50	=	57.00	7.24	-	2	Agonist activity at recombinant human GPBAR1 expressed in CHO cells	ChEMBL	450.2	7	2	4	6.46	Cc1cc(/C(C[C@@H](c2ccc(-c3ccc(C(=O)O)cc3)cc2)c2ccccc2C)=N/O)ccn1	https://dx.doi.org/10.1016/j.bmcl.2013.06.017
CHEMBL2407929	91636	None	0	Mouse	Binding	EC50	=	190.00	6.72	-	2	Agonist activity at recombinant mouse GPBAR1 expressed in CHO cells	ChEMBL	450.2	7	2	4	6.46	Cc1cc(/C(C[C@@H](c2ccc(-c3ccc(C(=O)O)cc3)cc2)c2ccccc2C)=N/O)ccn1	https://dx.doi.org/10.1016/j.bmcl.2013.06.017
CHEMBL2407930	91637	None	4	Human	Binding	EC50	=	4.00	8.40	-	2	Agonist activity at recombinant human GPBAR1 expressed in CHO cells	ChEMBL	457.2	7	2	5	5.40	Cc1cc(/C(C[C@H](c2ccc(N3CCC(C(=O)O)CC3)cc2)c2ccccc2C)=N/O)ccn1	https://dx.doi.org/10.1016/j.bmcl.2013.06.017
CHEMBL2407930	91637	None	4	Mouse	Binding	EC50	=	28.00	7.55	-	2	Agonist activity at recombinant mouse GPBAR1 expressed in CHO cells	ChEMBL	457.2	7	2	5	5.40	Cc1cc(/C(C[C@H](c2ccc(N3CCC(C(=O)O)CC3)cc2)c2ccccc2C)=N/O)ccn1	https://dx.doi.org/10.1016/j.bmcl.2013.06.017
CHEMBL2407931	91638	None	0	Human	Binding	EC50	=	23.00	7.64	-	2	Agonist activity at recombinant human GPBAR1 expressed in CHO cells	ChEMBL	457.2	7	2	5	5.40	Cc1cc(/C(C[C@@H](c2ccc(N3CCC(C(=O)O)CC3)cc2)c2ccccc2C)=N/O)ccn1	https://dx.doi.org/10.1016/j.bmcl.2013.06.017
CHEMBL2407931	91638	None	0	Mouse	Binding	EC50	=	130.00	6.89	-	2	Agonist activity at recombinant mouse GPBAR1 expressed in CHO cells	ChEMBL	457.2	7	2	5	5.40	Cc1cc(/C(C[C@@H](c2ccc(N3CCC(C(=O)O)CC3)cc2)c2ccccc2C)=N/O)ccn1	https://dx.doi.org/10.1016/j.bmcl.2013.06.017
CHEMBL2407932	91639	None	0	Human	Binding	EC50	=	60.00	7.22	-	2	Agonist activity at recombinant human GPBAR1 expressed in CHO cells	ChEMBL	466.2	7	2	5	5.46	Cc1ccccc1[C@H](C/C(=N\O)c1ccc(=O)n(C)c1)c1ccc(-c2ccc(C(=O)O)cc2)cc1	https://dx.doi.org/10.1016/j.bmcl.2013.06.017
CHEMBL2407932	91639	None	0	Mouse	Binding	EC50	=	450.00	6.35	-	2	Agonist activity at recombinant mouse GPBAR1 expressed in CHO cells	ChEMBL	466.2	7	2	5	5.46	Cc1ccccc1[C@H](C/C(=N\O)c1ccc(=O)n(C)c1)c1ccc(-c2ccc(C(=O)O)cc2)cc1	https://dx.doi.org/10.1016/j.bmcl.2013.06.017
CHEMBL2407933	91640	None	0	Human	Binding	EC50	=	320.00	6.50	-	2	Agonist activity at recombinant human GPBAR1 expressed in CHO cells	ChEMBL	466.2	7	2	5	5.46	Cc1ccccc1[C@@H](C/C(=N\O)c1ccc(=O)n(C)c1)c1ccc(-c2ccc(C(=O)O)cc2)cc1	https://dx.doi.org/10.1016/j.bmcl.2013.06.017
CHEMBL2407933	91640	None	0	Mouse	Binding	EC50	=	620.00	6.21	-	2	Agonist activity at recombinant mouse GPBAR1 expressed in CHO cells	ChEMBL	466.2	7	2	5	5.46	Cc1ccccc1[C@@H](C/C(=N\O)c1ccc(=O)n(C)c1)c1ccc(-c2ccc(C(=O)O)cc2)cc1	https://dx.doi.org/10.1016/j.bmcl.2013.06.017
CHEMBL2407934	91641	None	0	Human	Binding	EC50	=	26.00	7.58	-	2	Agonist activity at recombinant human GPBAR1 expressed in CHO cells	ChEMBL	424.1	6	1	6	3.50	Cc1ccccc1[C@H](C/C(=N\O)c1ccc(=O)n(C)c1)c1ccc(S(C)(=O)=O)cc1	https://dx.doi.org/10.1016/j.bmcl.2013.06.017
CHEMBL2407934	91641	None	0	Mouse	Binding	EC50	=	1300.00	5.89	-	2	Agonist activity at recombinant mouse GPBAR1 expressed in CHO cells	ChEMBL	424.1	6	1	6	3.50	Cc1ccccc1[C@H](C/C(=N\O)c1ccc(=O)n(C)c1)c1ccc(S(C)(=O)=O)cc1	https://dx.doi.org/10.1016/j.bmcl.2013.06.017
CHEMBL2407935	91642	None	0	Human	Binding	EC50	=	80.00	7.10	-	2	Agonist activity at recombinant human GPBAR1 expressed in CHO cells	ChEMBL	424.1	6	1	6	3.50	Cc1ccccc1[C@@H](C/C(=N\O)c1ccc(=O)n(C)c1)c1ccc(S(C)(=O)=O)cc1	https://dx.doi.org/10.1016/j.bmcl.2013.06.017
CHEMBL2407935	91642	None	0	Mouse	Binding	EC50	=	3000.00	5.52	-	2	Agonist activity at recombinant mouse GPBAR1 expressed in CHO cells	ChEMBL	424.1	6	1	6	3.50	Cc1ccccc1[C@@H](C/C(=N\O)c1ccc(=O)n(C)c1)c1ccc(S(C)(=O)=O)cc1	https://dx.doi.org/10.1016/j.bmcl.2013.06.017
CHEMBL2407936	91643	None	0	Human	Binding	EC50	=	45.00	7.35	-	2	Agonist activity at recombinant human GPBAR1 expressed in CHO cells	ChEMBL	345.2	6	1	4	4.55	CN(C)c1ccc(C(C/C(=N\O)c2ccncc2)c2ccccc2)cc1	https://dx.doi.org/10.1016/j.bmcl.2013.06.017
CHEMBL2407936	91643	None	0	Mouse	Binding	EC50	=	2000.00	5.70	-	2	Agonist activity at recombinant mouse GPBAR1 expressed in CHO cells	ChEMBL	345.2	6	1	4	4.55	CN(C)c1ccc(C(C/C(=N\O)c2ccncc2)c2ccccc2)cc1	https://dx.doi.org/10.1016/j.bmcl.2013.06.017

Showing 1 to 20 of 104 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

17β-estradiol	25	None	53	Human	Functional	EC50	=	38400.00	4.42	-22387	4	Agonist activity at human TGR5 expressed in CHO cells by luciferase assay	ChEMBL	272.2	0	2	2	3.61	C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O	https://dx.doi.org/10.1021/jm7015864
3 ALPHA-HYDROXY-7 ALPHA-FLUORO-5 BETA-CHOLAN-24-OIC A	98096	None	0	Human	Functional	EC50	=	250.00	6.60	-	1	Agonist activity at human TGR5 expressed in CHO cells by luciferase assay	ChEMBL	394.3	4	2	2	5.46	C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3F	https://dx.doi.org/10.1021/jm7015864
ANDROSTANDIOL	115500	None	14	Human	Functional	EC50	=	7010.00	5.15	-	1	Agonist activity at human TGR5 expressed in CHO cells by luciferase assay	ChEMBL	292.2	0	2	2	3.75	C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2O	https://dx.doi.org/10.1021/jm7015864
ANDROSTERONE	208789	None	34	Human	Functional	EC50	=	6220.00	5.21	-	1	Agonist activity at human TGR5 expressed in CHO cells by luciferase assay	ChEMBL	290.2	0	1	2	3.96	C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@@H]1CCC2=O	https://dx.doi.org/10.1021/jm7015864
betulinic acid	625	None	56	Human	Functional	pEC50	=	-	5.98	-	1	Unclassified	Guide to Pharmacology	456.4	2	2	2	7.09	C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12	https://pubmed.ncbi.nlm.nih.gov/19911773
betulinic acid	625	None	56	Human	Functional	EC50	=	1040.00	5.98	-	1	Agonist activity at TGR5 expressed in CHO cells by CRE-driven luciferase reporter gene assay	ChEMBL	456.4	2	2	2	7.09	C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12	https://dx.doi.org/10.1021/jm900872z
BETUNOLIC ACID	168041	None	47	Human	Functional	EC50	=	4710.00	5.33	-	1	Agonist activity at TGR5 expressed in CHO cells by CRE-driven luciferase reporter gene assay	ChEMBL	454.3	2	1	2	7.30	C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12	https://dx.doi.org/10.1021/jm900872z
BILE ACID	17576	None	0	Human	Functional	IC50	=	140.00	6.85	1	2	Agonist activity at human TGR5 receptor expressed in HEK293 cells assessed as intracellular cAMP level	ChEMBL	434.3	5	3	3	5.36	CC[C@@H]1[C@@H]2C[C@H](O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@H]3[C@H](C)C[C@H](C)C(=O)O)[C@@H]2[C@@H]1O	https://dx.doi.org/10.1016/j.bmcl.2010.08.014
BILE ACID	17576	None	0	Mouse	Functional	IC50	=	250.00	6.60	-1	2	Agonist activity at mouse TGR5 receptor expressed in HEK293 cells assessed as intracellular cAMP level	ChEMBL	434.3	5	3	3	5.36	CC[C@@H]1[C@@H]2C[C@H](O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@H]3[C@H](C)C[C@H](C)C(=O)O)[C@@H]2[C@@H]1O	https://dx.doi.org/10.1016/j.bmcl.2010.08.014
CHEMBL1253814	16983	None	15	Human	Functional	EC50	=	2180.00	5.66	-	1	Agonist activity at human TGR5 expressed in CHO cells by luciferase assay	ChEMBL	378.3	4	3	3	4.39	C[C@H](CCCO)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C	https://dx.doi.org/10.1021/jm7015864
CHEMBL1254261	17029	None	13	Human	Functional	EC50	=	10930.00	4.96	-	1	Agonist activity at human GPBAR1 expressed in HEK293 cells assessed as increase in intracellular cAMP level after 30 mins by cAMP-Glo assay	ChEMBL	388.3	4	1	3	4.89	C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C	https://dx.doi.org/10.1016/j.bmc.2015.01.048
CHEMBL1257142	17294	None	0	Human	Functional	IC50	=	2700.00	5.57	-	1	Agonist activity at human TGR5 receptor expressed in HEK293 cells assessed as intracellular cAMP level	ChEMBL	437.1	7	1	5	4.99	COc1ccc2cc(CNCCc3ccc(Br)cc3)c(-c3ncco3)nc2c1	https://dx.doi.org/10.1016/j.bmcl.2010.08.014
CHEMBL1257143	17295	None	0	Human	Functional	IC50	=	5000.00	5.30	-	1	Agonist activity at human TGR5 receptor expressed in HEK293 cells assessed as intracellular cAMP level	ChEMBL	436.1	6	1	3	6.37	Cc1ccc2cc(CNCCc3ccc(Br)cc3)c(-c3ccsc3)nc2c1	https://dx.doi.org/10.1016/j.bmcl.2010.08.014
CHEMBL1257259	17327	None	0	Human	Functional	IC50	=	6900.00	5.16	-	1	Agonist activity at human TGR5 receptor expressed in HEK293 cells assessed as intracellular cAMP level	ChEMBL	456.0	6	1	3	6.71	Clc1ccc2cc(CNCCc3ccc(Br)cc3)c(-c3ccsc3)nc2c1	https://dx.doi.org/10.1016/j.bmcl.2010.08.014
CHEMBL1257260	17328	None	0	Human	Functional	IC50	=	4500.00	5.35	2	2	Agonist activity at human TGR5 receptor expressed in HEK293 cells assessed as intracellular cAMP level	ChEMBL	466.1	8	1	4	6.46	CCOc1ccc2cc(CNCCc3ccc(Br)cc3)c(-c3ccsc3)nc2c1	https://dx.doi.org/10.1016/j.bmcl.2010.08.014
CHEMBL1257260	17328	None	0	Mouse	Functional	IC50	=	9400.00	5.03	-2	2	Agonist activity at mouse TGR5 receptor expressed in HEK293 cells assessed as intracellular cAMP level	ChEMBL	466.1	8	1	4	6.46	CCOc1ccc2cc(CNCCc3ccc(Br)cc3)c(-c3ccsc3)nc2c1	https://dx.doi.org/10.1016/j.bmcl.2010.08.014
CHEMBL1257490	17399	None	0	Human	Functional	IC50	=	5500.00	5.26	-	1	Agonist activity at human TGR5 receptor expressed in HEK293 cells assessed as intracellular cAMP level	ChEMBL	422.0	6	1	3	6.06	Brc1ccc(CCNCc2cc3ccccc3nc2-c2ccsc2)cc1	https://dx.doi.org/10.1016/j.bmcl.2010.08.014
CHEMBL1257491	17400	None	0	Human	Functional	IC50	=	5100.00	5.29	-18	2	Agonist activity at human TGR5 receptor expressed in HEK293 cells assessed as intracellular cAMP level	ChEMBL	438.0	6	2	4	5.76	Oc1ccc2cc(CNCCc3ccc(Br)cc3)c(-c3ccsc3)nc2c1	https://dx.doi.org/10.1016/j.bmcl.2010.08.014
CHEMBL1257491	17400	None	0	Mouse	Functional	IC50	=	280.00	6.55	18	2	Agonist activity at mouse TGR5 receptor expressed in HEK293 cells assessed as intracellular cAMP level	ChEMBL	438.0	6	2	4	5.76	Oc1ccc2cc(CNCCc3ccc(Br)cc3)c(-c3ccsc3)nc2c1	https://dx.doi.org/10.1016/j.bmcl.2010.08.014
CHEMBL1257612	17441	None	0	Human	Functional	IC50	=	82.00	7.09	19	2	Agonist activity at human TGR5 receptor expressed in HEK293 cells assessed as intracellular cAMP level	ChEMBL	438.0	6	2	4	5.76	Oc1ccc2nc(-c3ccsc3)c(CNCCc3ccc(Br)cc3)cc2c1	https://dx.doi.org/10.1016/j.bmcl.2010.08.014

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Ligand source activities (1 row/activity)