Compile Data Set for Download or QSAR

Found 68 hits Enz. Inhib. hit(s) with all data for entry = 50041780   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50414954 (CHEMBL575966) Show SMILES CN(C(=O)c1c(C)onc1-c1ccccc1Cl)c1ccc(Cl)cc1 Show InChI InChI=1S/C18H14Cl2N2O2/c1-11-16(17(21-24-11)14-5-3-4-6-15(14)20)18(23)22(2)13-9-7-12(19)8-10-13/h3-10H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	316	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CYP2C19				Bioorg Med Chem Lett 20: 1363-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.003 BindingDB Entry DOI: 10.7270/Q2028SS5
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50414954 (CHEMBL575966) Show SMILES CN(C(=O)c1c(C)onc1-c1ccccc1Cl)c1ccc(Cl)cc1 Show InChI InChI=1S/C18H14Cl2N2O2/c1-11-16(17(21-24-11)14-5-3-4-6-15(14)20)18(23)22(2)13-9-7-12(19)8-10-13/h3-10H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CYP3A4				Bioorg Med Chem Lett 20: 1363-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.003 BindingDB Entry DOI: 10.7270/Q2028SS5
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Homo sapiens (Human))	BDBM50414956 (CHEMBL583110) Show SMILES CCN(C(=O)c1c(C)onc1-c1ccccc1Cl)c1cccc(Cl)c1 Show InChI InChI=1S/C19H16Cl2N2O2/c1-3-23(14-8-6-7-13(20)11-14)19(24)17-12(2)25-22-18(17)15-9-4-5-10-16(15)21/h4-11H,3H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	5.01E+3	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human TGR5 receptor expressed in human U2-OS cells assessed as changes in response to cAMP level by MRE/CRE-driven luciferase rep...				Bioorg Med Chem Lett 20: 1363-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.003 BindingDB Entry DOI: 10.7270/Q2028SS5
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Homo sapiens (Human))	BDBM50415367 (CHEMBL601448) Show SMILES CN(C(=O)c1c(C)onc1-c1ccccc1Cl)c1ccccc1F Show InChI InChI=1S/C18H14ClFN2O2/c1-11-16(17(21-24-11)12-7-3-4-8-13(12)19)18(23)22(2)15-10-6-5-9-14(15)20/h3-10H,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.51E+3	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human TGR5 receptor expressed in human U2-OS cells assessed as changes in response to cAMP level by MRE/CRE-driven luciferase rep...				Bioorg Med Chem Lett 20: 1363-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.003 BindingDB Entry DOI: 10.7270/Q2028SS5
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Homo sapiens (Human))	BDBM50415368 (CHEMBL604752) Show SMILES CN(C(=O)c1c(C)onc1-c1ccccc1Cl)c1cccc(F)c1 Show InChI InChI=1S/C18H14ClFN2O2/c1-11-16(17(21-24-11)14-8-3-4-9-15(14)19)18(23)22(2)13-7-5-6-12(20)10-13/h3-10H,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	631	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human TGR5 receptor expressed in human U2-OS cells assessed as changes in response to cAMP level by MRE/CRE-driven luciferase rep...				Bioorg Med Chem Lett 20: 1363-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.003 BindingDB Entry DOI: 10.7270/Q2028SS5
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Homo sapiens (Human))	BDBM50415369 (CHEMBL601449) Show SMILES CN(C(=O)c1c(C)onc1-c1ccccc1Cl)c1ccc(F)cc1 Show InChI InChI=1S/C18H14ClFN2O2/c1-11-16(17(21-24-11)14-5-3-4-6-15(14)19)18(23)22(2)13-9-7-12(20)8-10-13/h3-10H,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	501	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human TGR5 receptor expressed in human U2-OS cells assessed as changes in response to cAMP level by MRE/CRE-driven luciferase rep...				Bioorg Med Chem Lett 20: 1363-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.003 BindingDB Entry DOI: 10.7270/Q2028SS5
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Homo sapiens (Human))	BDBM50415370 (CHEMBL600624) Show SMILES CN(C(=O)c1c(C)onc1-c1ccccc1Cl)c1ccccc1Cl Show InChI InChI=1S/C18H14Cl2N2O2/c1-11-16(17(21-24-11)12-7-3-4-8-13(12)19)18(23)22(2)15-10-6-5-9-14(15)20/h3-10H,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human TGR5 receptor expressed in human U2-OS cells assessed as changes in response to cAMP level by MRE/CRE-driven luciferase rep...				Bioorg Med Chem Lett 20: 1363-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.003 BindingDB Entry DOI: 10.7270/Q2028SS5
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Homo sapiens (Human))	BDBM50415371 (CHEMBL590739) Show SMILES CN(C(=O)c1c(C)onc1-c1ccccc1Cl)c1cccc(Cl)c1 Show InChI InChI=1S/C18H14Cl2N2O2/c1-11-16(17(21-24-11)14-8-3-4-9-15(14)20)18(23)22(2)13-7-5-6-12(19)10-13/h3-10H,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	631	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human TGR5 receptor expressed in human U2-OS cells assessed as changes in response to cAMP level by MRE/CRE-driven luciferase rep...				Bioorg Med Chem Lett 20: 1363-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.003 BindingDB Entry DOI: 10.7270/Q2028SS5
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Homo sapiens (Human))	BDBM50414954 (CHEMBL575966) Show SMILES CN(C(=O)c1c(C)onc1-c1ccccc1Cl)c1ccc(Cl)cc1 Show InChI InChI=1S/C18H14Cl2N2O2/c1-11-16(17(21-24-11)14-5-3-4-6-15(14)20)18(23)22(2)13-9-7-12(19)8-10-13/h3-10H,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	31.6	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human TGR5 receptor expressed in human U2-OS cells assessed as changes in response to cAMP level by MRE/CRE-driven luciferase rep...				Bioorg Med Chem Lett 20: 1363-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.003 BindingDB Entry DOI: 10.7270/Q2028SS5
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Homo sapiens (Human))	BDBM50415372 (CHEMBL600827) Show SMILES CN(C(=O)c1c(C)onc1-c1ccccc1Cl)c1ccc(Br)cc1 Show InChI InChI=1S/C18H14BrClN2O2/c1-11-16(17(21-24-11)14-5-3-4-6-15(14)20)18(23)22(2)13-9-7-12(19)8-10-13/h3-10H,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	15.8	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human TGR5 receptor expressed in human U2-OS cells assessed as changes in response to cAMP level by MRE/CRE-driven luciferase rep...				Bioorg Med Chem Lett 20: 1363-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.003 BindingDB Entry DOI: 10.7270/Q2028SS5
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Homo sapiens (Human))	BDBM50415373 (CHEMBL600421) Show SMILES CN(C(=O)c1c(C)onc1-c1ccccc1Cl)c1ccc(I)cc1 Show InChI InChI=1S/C18H14ClIN2O2/c1-11-16(17(21-24-11)14-5-3-4-6-15(14)19)18(23)22(2)13-9-7-12(20)8-10-13/h3-10H,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	126	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human TGR5 receptor expressed in human U2-OS cells assessed as changes in response to cAMP level by MRE/CRE-driven luciferase rep...				Bioorg Med Chem Lett 20: 1363-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.003 BindingDB Entry DOI: 10.7270/Q2028SS5
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Homo sapiens (Human))	BDBM50415374 (CHEMBL605986) Show SMILES CN(C(=O)c1c(C)onc1-c1ccccc1Cl)c1ccccc1C Show InChI InChI=1S/C19H17ClN2O2/c1-12-8-4-7-11-16(12)22(3)19(23)17-13(2)24-21-18(17)14-9-5-6-10-15(14)20/h4-11H,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	398	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human TGR5 receptor expressed in human U2-OS cells assessed as changes in response to cAMP level by MRE/CRE-driven luciferase rep...				Bioorg Med Chem Lett 20: 1363-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.003 BindingDB Entry DOI: 10.7270/Q2028SS5
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Homo sapiens (Human))	BDBM50415375 (CHEMBL600422) Show SMILES CN(C(=O)c1c(C)onc1-c1ccccc1Cl)c1cccc(C)c1 Show InChI InChI=1S/C19H17ClN2O2/c1-12-7-6-8-14(11-12)22(3)19(23)17-13(2)24-21-18(17)15-9-4-5-10-16(15)20/h4-11H,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.26E+3	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human TGR5 receptor expressed in human U2-OS cells assessed as changes in response to cAMP level by MRE/CRE-driven luciferase rep...				Bioorg Med Chem Lett 20: 1363-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.003 BindingDB Entry DOI: 10.7270/Q2028SS5
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Homo sapiens (Human))	BDBM50415376 (CHEMBL600629) Show SMILES CN(C(=O)c1c(C)onc1-c1ccccc1Cl)c1ccc(C)cc1 Show InChI InChI=1S/C19H17ClN2O2/c1-12-8-10-14(11-9-12)22(3)19(23)17-13(2)24-21-18(17)15-6-4-5-7-16(15)20/h4-11H,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	126	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human TGR5 receptor expressed in human U2-OS cells assessed as changes in response to cAMP level by MRE/CRE-driven luciferase rep...				Bioorg Med Chem Lett 20: 1363-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.003 BindingDB Entry DOI: 10.7270/Q2028SS5
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Homo sapiens (Human))	BDBM50415377 (CHEMBL603107) Show SMILES COc1ccccc1N(C)C(=O)c1c(C)onc1-c1ccccc1Cl Show InChI InChI=1S/C19H17ClN2O3/c1-12-17(18(21-25-12)13-8-4-5-9-14(13)20)19(23)22(2)15-10-6-7-11-16(15)24-3/h4-11H,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.51E+3	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human TGR5 receptor expressed in human U2-OS cells assessed as changes in response to cAMP level by MRE/CRE-driven luciferase rep...				Bioorg Med Chem Lett 20: 1363-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.003 BindingDB Entry DOI: 10.7270/Q2028SS5
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Homo sapiens (Human))	BDBM50415378 (CHEMBL600410) Show SMILES COc1cccc(c1)N(C)C(=O)c1c(C)onc1-c1ccccc1Cl Show InChI InChI=1S/C19H17ClN2O3/c1-12-17(18(21-25-12)15-9-4-5-10-16(15)20)19(23)22(2)13-7-6-8-14(11-13)24-3/h4-11H,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.26E+3	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human TGR5 receptor expressed in human U2-OS cells assessed as changes in response to cAMP level by MRE/CRE-driven luciferase rep...				Bioorg Med Chem Lett 20: 1363-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.003 BindingDB Entry DOI: 10.7270/Q2028SS5
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Homo sapiens (Human))	BDBM50415379 (CHEMBL604751) Show SMILES COc1ccc(cc1)N(C)C(=O)c1c(C)onc1-c1ccccc1Cl Show InChI InChI=1S/C19H17ClN2O3/c1-12-17(18(21-25-12)15-6-4-5-7-16(15)20)19(23)22(2)13-8-10-14(24-3)11-9-13/h4-11H,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	398	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human TGR5 receptor expressed in human U2-OS cells assessed as changes in response to cAMP level by MRE/CRE-driven luciferase rep...				Bioorg Med Chem Lett 20: 1363-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.003 BindingDB Entry DOI: 10.7270/Q2028SS5
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Homo sapiens (Human))	BDBM50415380 (CHEMBL600020) Show SMILES CN(C(=O)c1c(C)onc1-c1ccccc1Cl)c1ccc(Cl)c(C)c1 Show InChI InChI=1S/C19H16Cl2N2O2/c1-11-10-13(8-9-15(11)20)23(3)19(24)17-12(2)25-22-18(17)14-6-4-5-7-16(14)21/h4-10H,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	63.1	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human TGR5 receptor expressed in human U2-OS cells assessed as changes in response to cAMP level by MRE/CRE-driven luciferase rep...				Bioorg Med Chem Lett 20: 1363-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.003 BindingDB Entry DOI: 10.7270/Q2028SS5
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Homo sapiens (Human))	BDBM50415381 (CHEMBL600021) Show SMILES CN(C(=O)c1c(C)onc1-c1ccccc1Cl)c1ccc(Cl)cc1C Show InChI InChI=1S/C19H16Cl2N2O2/c1-11-10-13(20)8-9-16(11)23(3)19(24)17-12(2)25-22-18(17)14-6-4-5-7-15(14)21/h4-10H,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	251	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human TGR5 receptor expressed in human U2-OS cells assessed as changes in response to cAMP level by MRE/CRE-driven luciferase rep...				Bioorg Med Chem Lett 20: 1363-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.003 BindingDB Entry DOI: 10.7270/Q2028SS5
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Homo sapiens (Human))	BDBM50415382 (CHEMBL590982) Show SMILES CN(C(=O)c1c(C)onc1-c1ccccc1Cl)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C18H13Cl3N2O2/c1-10-16(17(22-25-10)12-5-3-4-6-13(12)19)18(24)23(2)11-7-8-14(20)15(21)9-11/h3-9H,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	100	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human TGR5 receptor expressed in human U2-OS cells assessed as changes in response to cAMP level by MRE/CRE-driven luciferase rep...				Bioorg Med Chem Lett 20: 1363-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.003 BindingDB Entry DOI: 10.7270/Q2028SS5
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Homo sapiens (Human))	BDBM50415383 (CHEMBL604520) Show SMILES CN(C(=O)c1c(C)onc1-c1ccccc1Cl)c1ccc(Cl)cc1Cl Show InChI InChI=1S/C18H13Cl3N2O2/c1-10-16(17(22-25-10)12-5-3-4-6-13(12)20)18(24)23(2)15-8-7-11(19)9-14(15)21/h3-9H,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.51E+3	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human TGR5 receptor expressed in human U2-OS cells assessed as changes in response to cAMP level by MRE/CRE-driven luciferase rep...				Bioorg Med Chem Lett 20: 1363-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.003 BindingDB Entry DOI: 10.7270/Q2028SS5
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Homo sapiens (Human))	BDBM50414955 (CHEMBL576138) Show SMILES CN(C(=O)c1c(C)onc1-c1ccccc1Cl)c1ccc(C)c(Cl)c1 Show InChI InChI=1S/C19H16Cl2N2O2/c1-11-8-9-13(10-16(11)21)23(3)19(24)17-12(2)25-22-18(17)14-6-4-5-7-15(14)20/h4-10H,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	79.4	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human TGR5 receptor expressed in human U2-OS cells assessed as changes in response to cAMP level by MRE/CRE-driven luciferase rep...				Bioorg Med Chem Lett 20: 1363-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.003 BindingDB Entry DOI: 10.7270/Q2028SS5
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Homo sapiens (Human))	BDBM50415384 (CHEMBL590495) Show SMILES CN(C(=O)c1c(C)onc1-c1ccccc1Cl)c1cc(Br)c(C)c(Br)c1 Show InChI InChI=1S/C19H15Br2ClN2O2/c1-10-14(20)8-12(9-15(10)21)24(3)19(25)17-11(2)26-23-18(17)13-6-4-5-7-16(13)22/h4-9H,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	12.6	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human TGR5 receptor expressed in human U2-OS cells assessed as changes in response to cAMP level by MRE/CRE-driven luciferase rep...				Bioorg Med Chem Lett 20: 1363-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.003 BindingDB Entry DOI: 10.7270/Q2028SS5
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Homo sapiens (Human))	BDBM50415385 (CHEMBL598743) Show SMILES CN(C(=O)c1c(C)onc1-c1ccccc1Cl)c1ccc(C)c(C)c1 Show InChI InChI=1S/C20H19ClN2O2/c1-12-9-10-15(11-13(12)2)23(4)20(24)18-14(3)25-22-19(18)16-7-5-6-8-17(16)21/h5-11H,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	19.9	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human TGR5 receptor expressed in human U2-OS cells assessed as changes in response to cAMP level by MRE/CRE-driven luciferase rep...				Bioorg Med Chem Lett 20: 1363-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.003 BindingDB Entry DOI: 10.7270/Q2028SS5
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Homo sapiens (Human))	BDBM50415386 (CHEMBL611676) Show SMILES CN(C(=O)c1c(C)onc1-c1ccccc1Cl)c1ccccc1 Show InChI InChI=1S/C18H15ClN2O2/c1-12-16(18(22)21(2)13-8-4-3-5-9-13)17(20-23-12)14-10-6-7-11-15(14)19/h3-11H,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.98E+3	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human TGR5 receptor expressed in human U2-OS cells assessed as changes in response to cAMP level by MRE/CRE-driven luciferase rep...				Bioorg Med Chem Lett 20: 1363-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.003 BindingDB Entry DOI: 10.7270/Q2028SS5
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Homo sapiens (Human))	BDBM50415387 (CHEMBL599126) Show SMILES CCc1ccc(cc1)N(C)C(=O)c1c(C)onc1-c1ccccc1Cl Show InChI InChI=1S/C20H19ClN2O2/c1-4-14-9-11-15(12-10-14)23(3)20(24)18-13(2)25-22-19(18)16-7-5-6-8-17(16)21/h5-12H,4H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human TGR5 receptor expressed in human U2-OS cells assessed as changes in response to cAMP level by MRE/CRE-driven luciferase rep...				Bioorg Med Chem Lett 20: 1363-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.003 BindingDB Entry DOI: 10.7270/Q2028SS5
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Homo sapiens (Human))	BDBM50415388 (CHEMBL604524) Show SMILES CCCc1ccc(cc1)N(C)C(=O)c1c(C)onc1-c1ccccc1Cl Show InChI InChI=1S/C21H21ClN2O2/c1-4-7-15-10-12-16(13-11-15)24(3)21(25)19-14(2)26-23-20(19)17-8-5-6-9-18(17)22/h5-6,8-13H,4,7H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	6.31E+3	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human TGR5 receptor expressed in human U2-OS cells assessed as changes in response to cAMP level by MRE/CRE-driven luciferase rep...				Bioorg Med Chem Lett 20: 1363-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.003 BindingDB Entry DOI: 10.7270/Q2028SS5
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Homo sapiens (Human))	BDBM50415389 (CHEMBL599127) Show SMILES CC(C)c1ccc(cc1)N(C)C(=O)c1c(C)onc1-c1ccccc1Cl Show InChI InChI=1S/C21H21ClN2O2/c1-13(2)15-9-11-16(12-10-15)24(4)21(25)19-14(3)26-23-20(19)17-7-5-6-8-18(17)22/h5-13H,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.26E+3	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human TGR5 receptor expressed in human U2-OS cells assessed as changes in response to cAMP level by MRE/CRE-driven luciferase rep...				Bioorg Med Chem Lett 20: 1363-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.003 BindingDB Entry DOI: 10.7270/Q2028SS5
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Homo sapiens (Human))	BDBM50415390 (CHEMBL604734) Show SMILES CN(C(=O)c1c(C)onc1-c1ccccc1Cl)c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C22H23ClN2O2/c1-14-19(20(24-27-14)17-8-6-7-9-18(17)23)21(26)25(5)16-12-10-15(11-13-16)22(2,3)4/h6-13H,1-5H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	7.94E+3	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human TGR5 receptor expressed in human U2-OS cells assessed as changes in response to cAMP level by MRE/CRE-driven luciferase rep...				Bioorg Med Chem Lett 20: 1363-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.003 BindingDB Entry DOI: 10.7270/Q2028SS5
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Homo sapiens (Human))	BDBM50415391 (CHEMBL599328) Show SMILES CN(C(=O)c1c(C)onc1-c1ccccc1Cl)c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C19H14ClF3N2O2/c1-11-16(17(24-27-11)14-5-3-4-6-15(14)20)18(26)25(2)13-9-7-12(8-10-13)19(21,22)23/h3-10H,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	19.9	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human TGR5 receptor expressed in human U2-OS cells assessed as changes in response to cAMP level by MRE/CRE-driven luciferase rep...				Bioorg Med Chem Lett 20: 1363-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.003 BindingDB Entry DOI: 10.7270/Q2028SS5
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Homo sapiens (Human))	BDBM50415392 (CHEMBL599347) Show SMILES CN(C(=O)c1c(C)onc1-c1ccccc1Cl)c1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C19H14ClF3N2O3/c1-11-16(17(24-28-11)14-5-3-4-6-15(14)20)18(26)25(2)12-7-9-13(10-8-12)27-19(21,22)23/h3-10H,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	316	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human TGR5 receptor expressed in human U2-OS cells assessed as changes in response to cAMP level by MRE/CRE-driven luciferase rep...				Bioorg Med Chem Lett 20: 1363-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.003 BindingDB Entry DOI: 10.7270/Q2028SS5
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Homo sapiens (Human))	BDBM50415393 (CHEMBL605356) Show SMILES CN(C(=O)c1c(C)onc1-c1ccccc1Cl)c1ccc(cc1)C#N Show InChI InChI=1S/C19H14ClN3O2/c1-12-17(18(22-25-12)15-5-3-4-6-16(15)20)19(24)23(2)14-9-7-13(11-21)8-10-14/h3-10H,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	316	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human TGR5 receptor expressed in human U2-OS cells assessed as changes in response to cAMP level by MRE/CRE-driven luciferase rep...				Bioorg Med Chem Lett 20: 1363-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.003 BindingDB Entry DOI: 10.7270/Q2028SS5
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Homo sapiens (Human))	BDBM50415394 (CHEMBL598120) Show SMILES CN(C)c1ccc(cc1)N(C)C(=O)c1c(C)onc1-c1ccccc1Cl Show InChI InChI=1S/C20H20ClN3O2/c1-13-18(19(22-26-13)16-7-5-6-8-17(16)21)20(25)24(4)15-11-9-14(10-12-15)23(2)3/h5-12H,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.98E+3	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human TGR5 receptor expressed in human U2-OS cells assessed as changes in response to cAMP level by MRE/CRE-driven luciferase rep...				Bioorg Med Chem Lett 20: 1363-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.003 BindingDB Entry DOI: 10.7270/Q2028SS5
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Homo sapiens (Human))	BDBM50415395 (CHEMBL605554) Show SMILES CN(C(=O)c1c(C)onc1-c1ccccc1Cl)c1ccc(cc1)C(C)=O Show InChI InChI=1S/C20H17ClN2O3/c1-12(24)14-8-10-15(11-9-14)23(3)20(25)18-13(2)26-22-19(18)16-6-4-5-7-17(16)21/h4-11H,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.26E+4	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human TGR5 receptor expressed in human U2-OS cells assessed as changes in response to cAMP level by MRE/CRE-driven luciferase rep...				Bioorg Med Chem Lett 20: 1363-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.003 BindingDB Entry DOI: 10.7270/Q2028SS5
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Homo sapiens (Human))	BDBM50415396 (CHEMBL598118) Show SMILES CN(C(=O)c1c(C)onc1-c1ccccc1Cl)c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C19H17ClN2O4S/c1-12-17(18(21-26-12)15-6-4-5-7-16(15)20)19(23)22(2)13-8-10-14(11-9-13)27(3,24)25/h4-11H,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>7.94E+3	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human TGR5 receptor expressed in human U2-OS cells assessed as changes in response to cAMP level by MRE/CRE-driven luciferase rep...				Bioorg Med Chem Lett 20: 1363-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.003 BindingDB Entry DOI: 10.7270/Q2028SS5
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Homo sapiens (Human))	BDBM50415397 (CHEMBL602273) Show SMILES COC(=O)c1ccc(cc1)N(C)C(=O)c1c(C)onc1-c1ccccc1Cl Show InChI InChI=1S/C20H17ClN2O4/c1-12-17(18(22-27-12)15-6-4-5-7-16(15)21)19(24)23(2)14-10-8-13(9-11-14)20(25)26-3/h4-11H,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	7.94E+3	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human TGR5 receptor expressed in human U2-OS cells assessed as changes in response to cAMP level by MRE/CRE-driven luciferase rep...				Bioorg Med Chem Lett 20: 1363-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.003 BindingDB Entry DOI: 10.7270/Q2028SS5
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Homo sapiens (Human))	BDBM50415398 (CHEMBL601233) Show SMILES CN(C(=O)c1c(C)onc1-c1ccccc1F)c1ccc(Cl)cc1 Show InChI InChI=1S/C18H14ClFN2O2/c1-11-16(17(21-24-11)14-5-3-4-6-15(14)20)18(23)22(2)13-9-7-12(19)8-10-13/h3-10H,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	158	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human TGR5 receptor expressed in human U2-OS cells assessed as changes in response to cAMP level by MRE/CRE-driven luciferase rep...				Bioorg Med Chem Lett 20: 1363-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.003 BindingDB Entry DOI: 10.7270/Q2028SS5
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Homo sapiens (Human))	BDBM50415399 (CHEMBL601440) Show SMILES CN(C(=O)c1c(C)onc1-c1cccc(F)c1)c1ccc(Cl)cc1 Show InChI InChI=1S/C18H14ClFN2O2/c1-11-16(17(21-24-11)12-4-3-5-14(20)10-12)18(23)22(2)15-8-6-13(19)7-9-15/h3-10H,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	7.94	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human TGR5 receptor expressed in human U2-OS cells assessed as changes in response to cAMP level by MRE/CRE-driven luciferase rep...				Bioorg Med Chem Lett 20: 1363-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.003 BindingDB Entry DOI: 10.7270/Q2028SS5
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Homo sapiens (Human))	BDBM50415400 (CHEMBL591455) Show SMILES CN(C(=O)c1c(C)onc1-c1ccc(F)cc1)c1ccc(Cl)cc1 Show InChI InChI=1S/C18H14ClFN2O2/c1-11-16(17(21-24-11)12-3-7-14(20)8-4-12)18(23)22(2)15-9-5-13(19)6-10-15/h3-10H,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	501	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human TGR5 receptor expressed in human U2-OS cells assessed as changes in response to cAMP level by MRE/CRE-driven luciferase rep...				Bioorg Med Chem Lett 20: 1363-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.003 BindingDB Entry DOI: 10.7270/Q2028SS5
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Homo sapiens (Human))	BDBM50415401 (CHEMBL601441) Show SMILES CN(C(=O)c1c(C)onc1-c1cccc(Cl)c1)c1ccc(Cl)cc1 Show InChI InChI=1S/C18H14Cl2N2O2/c1-11-16(17(21-24-11)12-4-3-5-14(20)10-12)18(23)22(2)15-8-6-13(19)7-9-15/h3-10H,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	12.6	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human TGR5 receptor expressed in human U2-OS cells assessed as changes in response to cAMP level by MRE/CRE-driven luciferase rep...				Bioorg Med Chem Lett 20: 1363-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.003 BindingDB Entry DOI: 10.7270/Q2028SS5
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Homo sapiens (Human))	BDBM50415402 (CHEMBL600821) Show SMILES CN(C(=O)c1c(C)onc1-c1ccc(Cl)cc1)c1ccc(Cl)cc1 Show InChI InChI=1S/C18H14Cl2N2O2/c1-11-16(17(21-24-11)12-3-5-13(19)6-4-12)18(23)22(2)15-9-7-14(20)8-10-15/h3-10H,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	12.6	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human TGR5 receptor expressed in human U2-OS cells assessed as changes in response to cAMP level by MRE/CRE-driven luciferase rep...				Bioorg Med Chem Lett 20: 1363-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.003 BindingDB Entry DOI: 10.7270/Q2028SS5
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Homo sapiens (Human))	BDBM50415403 (CHEMBL604537) Show SMILES CN(C(=O)c1c(C)onc1-c1ccccc1C)c1ccc(Cl)cc1 Show InChI InChI=1S/C19H17ClN2O2/c1-12-6-4-5-7-16(12)18-17(13(2)24-21-18)19(23)22(3)15-10-8-14(20)9-11-15/h4-11H,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	12.6	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human TGR5 receptor expressed in human U2-OS cells assessed as changes in response to cAMP level by MRE/CRE-driven luciferase rep...				Bioorg Med Chem Lett 20: 1363-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.003 BindingDB Entry DOI: 10.7270/Q2028SS5
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Homo sapiens (Human))	BDBM50415404 (CHEMBL602892) Show SMILES CN(C(=O)c1c(C)onc1-c1cccc(C)c1)c1ccc(Cl)cc1 Show InChI InChI=1S/C19H17ClN2O2/c1-12-5-4-6-14(11-12)18-17(13(2)24-21-18)19(23)22(3)16-9-7-15(20)8-10-16/h4-11H,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	79.4	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human TGR5 receptor expressed in human U2-OS cells assessed as changes in response to cAMP level by MRE/CRE-driven luciferase rep...				Bioorg Med Chem Lett 20: 1363-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.003 BindingDB Entry DOI: 10.7270/Q2028SS5
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Homo sapiens (Human))	BDBM50415405 (CHEMBL603096) Show SMILES CN(C(=O)c1c(C)onc1-c1ccc(C)cc1)c1ccc(Cl)cc1 Show InChI InChI=1S/C19H17ClN2O2/c1-12-4-6-14(7-5-12)18-17(13(2)24-21-18)19(23)22(3)16-10-8-15(20)9-11-16/h4-11H,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human TGR5 receptor expressed in human U2-OS cells assessed as changes in response to cAMP level by MRE/CRE-driven luciferase rep...				Bioorg Med Chem Lett 20: 1363-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.003 BindingDB Entry DOI: 10.7270/Q2028SS5
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Homo sapiens (Human))	BDBM50415406 (CHEMBL603500) Show SMILES COc1ccccc1-c1noc(C)c1C(=O)N(C)c1ccc(Cl)cc1 Show InChI InChI=1S/C19H17ClN2O3/c1-12-17(19(23)22(2)14-10-8-13(20)9-11-14)18(21-25-12)15-6-4-5-7-16(15)24-3/h4-11H,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	63.1	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human TGR5 receptor expressed in human U2-OS cells assessed as changes in response to cAMP level by MRE/CRE-driven luciferase rep...				Bioorg Med Chem Lett 20: 1363-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.003 BindingDB Entry DOI: 10.7270/Q2028SS5
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Homo sapiens (Human))	BDBM50415407 (CHEMBL612138) Show SMILES COc1cccc(c1)-c1noc(C)c1C(=O)N(C)c1ccc(Cl)cc1 Show InChI InChI=1S/C19H17ClN2O3/c1-12-17(19(23)22(2)15-9-7-14(20)8-10-15)18(21-25-12)13-5-4-6-16(11-13)24-3/h4-11H,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human TGR5 receptor expressed in human U2-OS cells assessed as changes in response to cAMP level by MRE/CRE-driven luciferase rep...				Bioorg Med Chem Lett 20: 1363-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.003 BindingDB Entry DOI: 10.7270/Q2028SS5
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Homo sapiens (Human))	BDBM50415408 (CHEMBL602690) Show SMILES COc1ccc(cc1)-c1noc(C)c1C(=O)N(C)c1ccc(Cl)cc1 Show InChI InChI=1S/C19H17ClN2O3/c1-12-17(19(23)22(2)15-8-6-14(20)7-9-15)18(21-25-12)13-4-10-16(24-3)11-5-13/h4-11H,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	5.01E+3	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human TGR5 receptor expressed in human U2-OS cells assessed as changes in response to cAMP level by MRE/CRE-driven luciferase rep...				Bioorg Med Chem Lett 20: 1363-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.003 BindingDB Entry DOI: 10.7270/Q2028SS5
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Homo sapiens (Human))	BDBM50415409 (CHEMBL604543) Show SMILES CN(C(=O)c1c(C)onc1-c1ccccc1C(F)(F)F)c1ccc(Cl)cc1 Show InChI InChI=1S/C19H14ClF3N2O2/c1-11-16(18(26)25(2)13-9-7-12(20)8-10-13)17(24-27-11)14-5-3-4-6-15(14)19(21,22)23/h3-10H,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	31.6	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human TGR5 receptor expressed in human U2-OS cells assessed as changes in response to cAMP level by MRE/CRE-driven luciferase rep...				Bioorg Med Chem Lett 20: 1363-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.003 BindingDB Entry DOI: 10.7270/Q2028SS5
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Homo sapiens (Human))	BDBM50415410 (CHEMBL602691) Show SMILES CN(C(=O)c1c(C)onc1-c1cccc(c1)C(F)(F)F)c1ccc(Cl)cc1 Show InChI InChI=1S/C19H14ClF3N2O2/c1-11-16(18(26)25(2)15-8-6-14(20)7-9-15)17(24-27-11)12-4-3-5-13(10-12)19(21,22)23/h3-10H,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	316	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human TGR5 receptor expressed in human U2-OS cells assessed as changes in response to cAMP level by MRE/CRE-driven luciferase rep...				Bioorg Med Chem Lett 20: 1363-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.003 BindingDB Entry DOI: 10.7270/Q2028SS5
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Homo sapiens (Human))	BDBM50415411 (CHEMBL603706) Show SMILES CN(C(=O)c1c(C)onc1-c1ccc(cc1)C(F)(F)F)c1ccc(Cl)cc1 Show InChI InChI=1S/C19H14ClF3N2O2/c1-11-16(18(26)25(2)15-9-7-14(20)8-10-15)17(24-27-11)12-3-5-13(6-4-12)19(21,22)23/h3-10H,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.26E+3	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at human TGR5 receptor expressed in human U2-OS cells assessed as changes in response to cAMP level by MRE/CRE-driven luciferase rep...				Bioorg Med Chem Lett 20: 1363-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.003 BindingDB Entry DOI: 10.7270/Q2028SS5
					More data for this Ligand-Target Pair

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