Compile Data Set for Download or QSAR

Found 184 hits with Last Name = 'banerjee' and Initial = 'u'   

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
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50357677 (CHEMBL1914951) Show SMILES CC(C)(C)Nc1c(nc2ccccn12)-c1ccc(cc1)C(O)=O Show InChI InChI=1S/C18H19N3O2/c1-18(2,3)20-16-15(19-14-6-4-5-11-21(14)16)12-7-9-13(10-8-12)17(22)23/h4-11,20H,1-3H3,(H,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research (NIPER) Curated by ChEMBL					Assay Description Competitive inhibition of human topoisomerase-2 alpha-ATPase activity by Lineweaver-Burk assay in presence of 200 to 520 uM ATP				J Med Chem 54: 5013-30 (2011) Article DOI: 10.1021/jm200235u BindingDB Entry DOI: 10.7270/Q25T3KW8
					More data for this Ligand-Target Pair
Cytochrome c oxidase subunit 2 (Homo sapiens (Human))	BDBM22369 (4-(4-methanesulfonylphenyl)-3-phenyl-2,5-dihydrofu...) Show SMILES CS(=O)(=O)c1ccc(cc1)C1=C(C(=O)OC1)c1ccccc1 |t:11| Show InChI InChI=1S/C17H14O4S/c1-22(19,20)14-9-7-12(8-10-14)15-11-21-17(18)16(15)13-5-3-2-4-6-13/h2-10H,11H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research (NIPER) Curated by ChEMBL					Assay Description Inhibition of COX2 (unknown origin)				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111601 BindingDB Entry DOI: 10.7270/Q20V8H5Q
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Homo sapiens (Human))	BDBM50327527 (2-(4-bromophenyl)-N-((7-methoxy-2-(pyridin-4-yl)qu...) Show SMILES COc1ccc2cc(CNCCc3ccc(Br)cc3)c(nc2c1)-c1ccncc1 Show InChI InChI=1S/C24H22BrN3O/c1-29-22-7-4-19-14-20(16-27-11-8-17-2-5-21(25)6-3-17)24(28-23(19)15-22)18-9-12-26-13-10-18/h2-7,9-10,12-15,27H,8,11,16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
Kalypsys, Inc. Curated by ChEMBL					Assay Description Agonist activity at human TGR5 receptor expressed in HEK293 cells assessed as intracellular cAMP level				Bioorg Med Chem Lett 20: 5718-21 (2010) Article DOI: 10.1016/j.bmcl.2010.08.014 BindingDB Entry DOI: 10.7270/Q2N87B1H
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Homo sapiens (Human))	BDBM50327528 (2-(4-bromophenyl)-N-((7-methoxy-2-(pyridin-3-yl)qu...) Show SMILES COc1ccc2cc(CNCCc3ccc(Br)cc3)c(nc2c1)-c1cccnc1 Show InChI InChI=1S/C24H22BrN3O/c1-29-22-9-6-18-13-20(16-27-12-10-17-4-7-21(25)8-5-17)24(28-23(18)14-22)19-3-2-11-26-15-19/h2-9,11,13-15,27H,10,12,16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	65	n/a	n/a	n/a	n/a	n/a	n/a
Kalypsys, Inc. Curated by ChEMBL					Assay Description Agonist activity at human TGR5 receptor expressed in HEK293 cells assessed as intracellular cAMP level				Bioorg Med Chem Lett 20: 5718-21 (2010) Article DOI: 10.1016/j.bmcl.2010.08.014 BindingDB Entry DOI: 10.7270/Q2N87B1H
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Homo sapiens (Human))	BDBM50327516 (2-(4-bromophenyl)-N-((7-methoxy-2-(thiophen-3-yl)q...) Show SMILES COc1ccc2cc(CNCCc3ccc(Br)cc3)c(nc2c1)-c1ccsc1 Show InChI InChI=1S/C23H21BrN2OS/c1-27-21-7-4-17-12-19(14-25-10-8-16-2-5-20(24)6-3-16)23(26-22(17)13-21)18-9-11-28-15-18/h2-7,9,11-13,15,25H,8,10,14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	65	n/a	n/a	n/a	n/a	n/a	n/a
Kalypsys, Inc. Curated by ChEMBL					Assay Description Agonist activity at human TGR5 receptor expressed in HEK293 cells assessed as intracellular cAMP level				Bioorg Med Chem Lett 20: 5718-21 (2010) Article DOI: 10.1016/j.bmcl.2010.08.014 BindingDB Entry DOI: 10.7270/Q2N87B1H
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Homo sapiens (Human))	BDBM50327540 (3-((4-bromophenethylamino)methyl)-2-(thiophen-3-yl...) Show SMILES Oc1ccc2nc(-c3ccsc3)c(CNCCc3ccc(Br)cc3)cc2c1 Show InChI InChI=1S/C22H19BrN2OS/c23-19-3-1-15(2-4-19)7-9-24-13-18-11-17-12-20(26)5-6-21(17)25-22(18)16-8-10-27-14-16/h1-6,8,10-12,14,24,26H,7,9,13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	82	n/a	n/a	n/a	n/a	n/a	n/a
Kalypsys, Inc. Curated by ChEMBL					Assay Description Agonist activity at human TGR5 receptor expressed in HEK293 cells assessed as intracellular cAMP level				Bioorg Med Chem Lett 20: 5718-21 (2010) Article DOI: 10.1016/j.bmcl.2010.08.014 BindingDB Entry DOI: 10.7270/Q2N87B1H
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Homo sapiens (Human))	BDBM50327521 (2-(4-chlorophenyl)-N-((7-methoxy-2-(thiophen-3-yl)...) Show SMILES COc1ccc2cc(CNCCc3ccc(Cl)cc3)c(nc2c1)-c1ccsc1 Show InChI InChI=1S/C23H21ClN2OS/c1-27-21-7-4-17-12-19(14-25-10-8-16-2-5-20(24)6-3-16)23(26-22(17)13-21)18-9-11-28-15-18/h2-7,9,11-13,15,25H,8,10,14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	97	n/a	n/a	n/a	n/a	n/a	n/a
Kalypsys, Inc. Curated by ChEMBL					Assay Description Agonist activity at human TGR5 receptor expressed in HEK293 cells assessed as intracellular cAMP level				Bioorg Med Chem Lett 20: 5718-21 (2010) Article DOI: 10.1016/j.bmcl.2010.08.014 BindingDB Entry DOI: 10.7270/Q2N87B1H
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Homo sapiens (Human))	BDBM21679 ((2S,4R)-4-[(1S,2S,5R,7S,8R,9R,10S,11S,14R,15R)-8-e...) Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)[C@H](CC)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)C[C@H](C)C(O)=O Show InChI InChI=1S/C27H46O4/c1-6-18-22-14-17(28)9-11-27(22,5)21-10-12-26(4)19(15(2)13-16(3)25(30)31)7-8-20(26)23(21)24(18)29/h15-24,28-29H,6-14H2,1-5H3,(H,30,31)/t15-,16+,17-,18-,19-,20+,21+,22+,23+,24-,26-,27-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Kalypsys, Inc. Curated by ChEMBL					Assay Description Agonist activity at human TGR5 receptor expressed in HEK293 cells assessed as intracellular cAMP level				Bioorg Med Chem Lett 20: 5718-21 (2010) Article DOI: 10.1016/j.bmcl.2010.08.014 BindingDB Entry DOI: 10.7270/Q2N87B1H
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Mus musculus)	BDBM21679 ((2S,4R)-4-[(1S,2S,5R,7S,8R,9R,10S,11S,14R,15R)-8-e...) Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)[C@H](CC)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)C[C@H](C)C(O)=O Show InChI InChI=1S/C27H46O4/c1-6-18-22-14-17(28)9-11-27(22,5)21-10-12-26(4)19(15(2)13-16(3)25(30)31)7-8-20(26)23(21)24(18)29/h15-24,28-29H,6-14H2,1-5H3,(H,30,31)/t15-,16+,17-,18-,19-,20+,21+,22+,23+,24-,26-,27-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Kalypsys, Inc. Curated by ChEMBL					Assay Description Agonist activity at mouse TGR5 receptor expressed in HEK293 cells assessed as intracellular cAMP level				Bioorg Med Chem Lett 20: 5718-21 (2010) Article DOI: 10.1016/j.bmcl.2010.08.014 BindingDB Entry DOI: 10.7270/Q2N87B1H
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Mus musculus)	BDBM50327538 (3-((4-bromophenethylamino)methyl)-2-(thiophen-3-yl...) Show SMILES Oc1ccc2cc(CNCCc3ccc(Br)cc3)c(nc2c1)-c1ccsc1 Show InChI InChI=1S/C22H19BrN2OS/c23-19-4-1-15(2-5-19)7-9-24-13-18-11-16-3-6-20(26)12-21(16)25-22(18)17-8-10-27-14-17/h1-6,8,10-12,14,24,26H,7,9,13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
Kalypsys, Inc. Curated by ChEMBL					Assay Description Agonist activity at mouse TGR5 receptor expressed in HEK293 cells assessed as intracellular cAMP level				Bioorg Med Chem Lett 20: 5718-21 (2010) Article DOI: 10.1016/j.bmcl.2010.08.014 BindingDB Entry DOI: 10.7270/Q2N87B1H
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM11639 (4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...) Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research (NIPER) Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 using arachidonic acid as substrate				ACS Med Chem Lett 5: 512-6 (2014) Article DOI: 10.1021/ml400500e BindingDB Entry DOI: 10.7270/Q23R0VF9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome c oxidase subunit 2 (Homo sapiens (Human))	BDBM11639 (4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...) Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	293	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research (NIPER) Curated by ChEMBL					Assay Description Inhibition of recombinant human COX2 assessed as reduction in PGF2alpha incubated for 2 mins using arachidonic acid as substrate by ELISA				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111601 BindingDB Entry DOI: 10.7270/Q20V8H5Q
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Mus musculus)	BDBM50327541 (3-((4-bromophenethylamino)methyl)-7-methoxy-2-(thi...) Show SMILES COc1cc2nc(-c3ccsc3)c(CNCCc3ccc(Br)cc3)cc2cc1O Show InChI InChI=1S/C23H21BrN2O2S/c1-28-22-12-20-17(11-21(22)27)10-18(23(26-20)16-7-9-29-14-16)13-25-8-6-15-2-4-19(24)5-3-15/h2-5,7,9-12,14,25,27H,6,8,13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
Kalypsys, Inc. Curated by ChEMBL					Assay Description Agonist activity at mouse TGR5 receptor expressed in HEK293 cells assessed as intracellular cAMP level				Bioorg Med Chem Lett 20: 5718-21 (2010) Article DOI: 10.1016/j.bmcl.2010.08.014 BindingDB Entry DOI: 10.7270/Q2N87B1H
					More data for this Ligand-Target Pair
Cytochrome c oxidase subunit 2 (Homo sapiens (Human))	BDBM50515743 (CHEMBL4448990) Show SMILES CC(=O)N(C1=CC(=O)CCC1)c1ccc(Cl)cc1 |t:4| Show InChI InChI=1S/C14H14ClNO2/c1-10(17)16(12-7-5-11(15)6-8-12)13-3-2-4-14(18)9-13/h5-9H,2-4H2,1H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	367	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research (NIPER) Curated by ChEMBL					Assay Description Inhibition of recombinant human COX2 assessed as reduction in PGF2alpha incubated for 2 mins using arachidonic acid as substrate by ELISA				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111601 BindingDB Entry DOI: 10.7270/Q20V8H5Q
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50019936 (CHEMBL3287559) Show SMILES Oc1ccc(cc1Cl)-c1ccccc1-c1nc2ccccc2o1 Show InChI InChI=1S/C19H12ClNO2/c20-15-11-12(9-10-17(15)22)13-5-1-2-6-14(13)19-21-16-7-3-4-8-18(16)23-19/h1-11,22H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	410	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research (NIPER) Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 using arachidonic acid as substrate				ACS Med Chem Lett 5: 512-6 (2014) Article DOI: 10.1021/ml400500e BindingDB Entry DOI: 10.7270/Q23R0VF9
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Homo sapiens (Human))	BDBM50327541 (3-((4-bromophenethylamino)methyl)-7-methoxy-2-(thi...) Show SMILES COc1cc2nc(-c3ccsc3)c(CNCCc3ccc(Br)cc3)cc2cc1O Show InChI InChI=1S/C23H21BrN2O2S/c1-28-22-12-20-17(11-21(22)27)10-18(23(26-20)16-7-9-29-14-16)13-25-8-6-15-2-4-19(24)5-3-15/h2-5,7,9-12,14,25,27H,6,8,13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	430	n/a	n/a	n/a	n/a	n/a	n/a
Kalypsys, Inc. Curated by ChEMBL					Assay Description Agonist activity at human TGR5 receptor expressed in HEK293 cells assessed as intracellular cAMP level				Bioorg Med Chem Lett 20: 5718-21 (2010) Article DOI: 10.1016/j.bmcl.2010.08.014 BindingDB Entry DOI: 10.7270/Q2N87B1H
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Homo sapiens (Human))	BDBM50327526 (2-(4-bromophenyl)-N-((7-methoxy-2-phenylquinolin-3...) Show SMILES COc1ccc2cc(CNCCc3ccc(Br)cc3)c(nc2c1)-c1ccccc1 Show InChI InChI=1S/C25H23BrN2O/c1-29-23-12-9-20-15-21(17-27-14-13-18-7-10-22(26)11-8-18)25(28-24(20)16-23)19-5-3-2-4-6-19/h2-12,15-16,27H,13-14,17H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	490	n/a	n/a	n/a	n/a	n/a	n/a
Kalypsys, Inc. Curated by ChEMBL					Assay Description Agonist activity at human TGR5 receptor expressed in HEK293 cells assessed as intracellular cAMP level				Bioorg Med Chem Lett 20: 5718-21 (2010) Article DOI: 10.1016/j.bmcl.2010.08.014 BindingDB Entry DOI: 10.7270/Q2N87B1H
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Homo sapiens (Human))	BDBM50327525 (2-(4-bromophenyl)-N-((2-(furan-2-yl)-7-methoxyquin...) Show SMILES COc1ccc2cc(CNCCc3ccc(Br)cc3)c(nc2c1)-c1ccco1 Show InChI InChI=1S/C23H21BrN2O2/c1-27-20-9-6-17-13-18(15-25-11-10-16-4-7-19(24)8-5-16)23(26-21(17)14-20)22-3-2-12-28-22/h2-9,12-14,25H,10-11,15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Kalypsys, Inc. Curated by ChEMBL					Assay Description Agonist activity at human TGR5 receptor expressed in HEK293 cells assessed as intracellular cAMP level				Bioorg Med Chem Lett 20: 5718-21 (2010) Article DOI: 10.1016/j.bmcl.2010.08.014 BindingDB Entry DOI: 10.7270/Q2N87B1H
					More data for this Ligand-Target Pair
Cytochrome c oxidase subunit 2 (Homo sapiens (Human))	BDBM50515744 (CHEMBL4441570) Show SMILES Clc1ccc(NC2=CC(=O)CCC2)cc1 |t:6| Show InChI InChI=1S/C12H12ClNO/c13-9-4-6-10(7-5-9)14-11-2-1-3-12(15)8-11/h4-8,14H,1-3H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	513	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research (NIPER) Curated by ChEMBL					Assay Description Inhibition of recombinant human COX2 assessed as reduction in PGF2alpha incubated for 2 mins using arachidonic acid as substrate by ELISA				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111601 BindingDB Entry DOI: 10.7270/Q20V8H5Q
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Homo sapiens (Human))	BDBM50327523 (2-(4-bromophenyl)-N-((7-methoxy-2-(thiophen-2-yl)q...) Show SMILES COc1ccc2cc(CNCCc3ccc(Br)cc3)c(nc2c1)-c1cccs1 Show InChI InChI=1S/C23H21BrN2OS/c1-27-20-9-6-17-13-18(15-25-11-10-16-4-7-19(24)8-5-16)23(26-21(17)14-20)22-3-2-12-28-22/h2-9,12-14,25H,10-11,15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	580	n/a	n/a	n/a	n/a	n/a	n/a
Kalypsys, Inc. Curated by ChEMBL					Assay Description Agonist activity at human TGR5 receptor expressed in HEK293 cells assessed as intracellular cAMP level				Bioorg Med Chem Lett 20: 5718-21 (2010) Article DOI: 10.1016/j.bmcl.2010.08.014 BindingDB Entry DOI: 10.7270/Q2N87B1H
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Homo sapiens (Human))	BDBM50327520 (CHEMBL1258310 | N-(4-chlorobenzyl)-1-(7-methoxy-2-...) Show SMILES COc1ccc2cc(CNCc3ccc(Cl)cc3)c(nc2c1)-c1ccsc1 Show InChI InChI=1S/C22H19ClN2OS/c1-26-20-7-4-16-10-18(13-24-12-15-2-5-19(23)6-3-15)22(25-21(16)11-20)17-8-9-27-14-17/h2-11,14,24H,12-13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	580	n/a	n/a	n/a	n/a	n/a	n/a
Kalypsys, Inc. Curated by ChEMBL					Assay Description Agonist activity at human TGR5 receptor expressed in HEK293 cells assessed as intracellular cAMP level				Bioorg Med Chem Lett 20: 5718-21 (2010) Article DOI: 10.1016/j.bmcl.2010.08.014 BindingDB Entry DOI: 10.7270/Q2N87B1H
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50019935 (CHEMBL3287567) Show SMILES COc1ccc(cc1Cl)-c1ccccc1-c1nc2ccccc2o1 Show InChI InChI=1S/C20H14ClNO2/c1-23-18-11-10-13(12-16(18)21)14-6-2-3-7-15(14)20-22-17-8-4-5-9-19(17)24-20/h2-12H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	670	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research (NIPER) Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 using arachidonic acid as substrate				ACS Med Chem Lett 5: 512-6 (2014) Article DOI: 10.1021/ml400500e BindingDB Entry DOI: 10.7270/Q23R0VF9
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Homo sapiens (Human))	BDBM50327524 (2-(4-bromophenyl)-N-((2-(furan-3-yl)-7-methoxyquin...) Show SMILES COc1ccc2cc(CNCCc3ccc(Br)cc3)c(nc2c1)-c1ccoc1 Show InChI InChI=1S/C23H21BrN2O2/c1-27-21-7-4-17-12-19(14-25-10-8-16-2-5-20(24)6-3-16)23(26-22(17)13-21)18-9-11-28-15-18/h2-7,9,11-13,15,25H,8,10,14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	710	n/a	n/a	n/a	n/a	n/a	n/a
Kalypsys, Inc. Curated by ChEMBL					Assay Description Agonist activity at human TGR5 receptor expressed in HEK293 cells assessed as intracellular cAMP level				Bioorg Med Chem Lett 20: 5718-21 (2010) Article DOI: 10.1016/j.bmcl.2010.08.014 BindingDB Entry DOI: 10.7270/Q2N87B1H
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Homo sapiens (Human))	BDBM50327518 (1-(7-methoxy-2-(thiophen-3-yl)quinolin-3-yl)-N-(4-...) Show SMILES COc1ccc2cc(CNCc3ccc(C)cc3)c(nc2c1)-c1ccsc1 Show InChI InChI=1S/C23H22N2OS/c1-16-3-5-17(6-4-16)13-24-14-20-11-18-7-8-21(26-2)12-22(18)25-23(20)19-9-10-27-15-19/h3-12,15,24H,13-14H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	880	n/a	n/a	n/a	n/a	n/a	n/a
Kalypsys, Inc. Curated by ChEMBL					Assay Description Agonist activity at human TGR5 receptor expressed in HEK293 cells assessed as intracellular cAMP level				Bioorg Med Chem Lett 20: 5718-21 (2010) Article DOI: 10.1016/j.bmcl.2010.08.014 BindingDB Entry DOI: 10.7270/Q2N87B1H
					More data for this Ligand-Target Pair
Cytochrome c oxidase subunit 2 (Homo sapiens (Human))	BDBM50515745 (CHEMBL4474644) Show SMILES CC(C)(C)OC(=O)N(C1=CC(=O)CCC1)c1ccc(Cl)cc1 |t:8| Show InChI InChI=1S/C17H20ClNO3/c1-17(2,3)22-16(21)19(13-9-7-12(18)8-10-13)14-5-4-6-15(20)11-14/h7-11H,4-6H2,1-3H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	915	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research (NIPER) Curated by ChEMBL					Assay Description Inhibition of recombinant human COX2 assessed as reduction in PGF2alpha incubated for 2 mins using arachidonic acid as substrate by ELISA				Eur J Med Chem 182: (2019) Article DOI: 10.1016/j.ejmech.2019.111601 BindingDB Entry DOI: 10.7270/Q20V8H5Q
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Homo sapiens (Human))	BDBM50327519 (1-(7-methoxy-2-(thiophen-3-yl)quinolin-3-yl)-N-(4-...) Show SMILES COc1ccc(CNCc2cc3ccc(OC)cc3nc2-c2ccsc2)cc1 Show InChI InChI=1S/C23H22N2O2S/c1-26-20-6-3-16(4-7-20)13-24-14-19-11-17-5-8-21(27-2)12-22(17)25-23(19)18-9-10-28-15-18/h3-12,15,24H,13-14H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kalypsys, Inc. Curated by ChEMBL					Assay Description Agonist activity at human TGR5 receptor expressed in HEK293 cells assessed as intracellular cAMP level				Bioorg Med Chem Lett 20: 5718-21 (2010) Article DOI: 10.1016/j.bmcl.2010.08.014 BindingDB Entry DOI: 10.7270/Q2N87B1H
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50019937 (CHEMBL3287560) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1ccccc1-c1nc2ccccc2o1 Show InChI InChI=1S/C20H15NO3S/c1-25(22,23)15-12-10-14(11-13-15)16-6-2-3-7-17(16)20-21-18-8-4-5-9-19(18)24-20/h2-13H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.34E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research (NIPER) Curated by ChEMBL					Assay Description Inhibition of human recombinant COX2 using arachidonic acid as substrate				ACS Med Chem Lett 5: 512-6 (2014) Article DOI: 10.1021/ml400500e BindingDB Entry DOI: 10.7270/Q23R0VF9
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Mus musculus)	BDBM50327540 (3-((4-bromophenethylamino)methyl)-2-(thiophen-3-yl...) Show SMILES Oc1ccc2nc(-c3ccsc3)c(CNCCc3ccc(Br)cc3)cc2c1 Show InChI InChI=1S/C22H19BrN2OS/c23-19-3-1-15(2-4-19)7-9-24-13-18-11-17-12-20(26)5-6-21(17)25-22(18)16-8-10-27-14-16/h1-6,8,10-12,14,24,26H,7,9,13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kalypsys, Inc. Curated by ChEMBL					Assay Description Agonist activity at mouse TGR5 receptor expressed in HEK293 cells assessed as intracellular cAMP level				Bioorg Med Chem Lett 20: 5718-21 (2010) Article DOI: 10.1016/j.bmcl.2010.08.014 BindingDB Entry DOI: 10.7270/Q2N87B1H
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM50351346 (CHEMBL1818919) Show SMILES CC(=O)NC(CC(=O)c1ccc2ccccc2c1)c1cccc(Br)c1 Show InChI InChI=1S/C21H18BrNO2/c1-14(24)23-20(17-7-4-8-19(22)12-17)13-21(25)18-10-9-15-5-2-3-6-16(15)11-18/h2-12,20H,13H2,1H3,(H,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.45E+3	n/a	n/a	n/a	n/a	n/a	n/a
Indo-Soviet Friendship College of Pharmacy Curated by ChEMBL					Assay Description Inhibition of bovine milk xanthine oxidase assessed as decrease of uric acid formation preincubated for 5 mins by UV-visible spectrophotometric analy...				Bioorg Med Chem 19: 5569-76 (2011) Article DOI: 10.1016/j.bmc.2011.07.039 BindingDB Entry DOI: 10.7270/Q22R3S2C
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Homo sapiens (Human))	BDBM50327531 (2-(4-bromophenyl)-N-((7-methoxy-2-(oxazol-2-yl)qui...) Show SMILES COc1ccc2cc(CNCCc3ccc(Br)cc3)c(nc2c1)-c1ncco1 Show InChI InChI=1S/C22H20BrN3O2/c1-27-19-7-4-16-12-17(14-24-9-8-15-2-5-18(23)6-3-15)21(26-20(16)13-19)22-25-10-11-28-22/h2-7,10-13,24H,8-9,14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kalypsys, Inc. Curated by ChEMBL					Assay Description Agonist activity at human TGR5 receptor expressed in HEK293 cells assessed as intracellular cAMP level				Bioorg Med Chem Lett 20: 5718-21 (2010) Article DOI: 10.1016/j.bmcl.2010.08.014 BindingDB Entry DOI: 10.7270/Q2N87B1H
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Homo sapiens (Human))	BDBM50327522 (2-(3-bromophenyl)-N-((7-methoxy-2-(thiophen-3-yl)q...) Show SMILES COc1ccc2cc(CNCCc3cccc(Br)c3)c(nc2c1)-c1ccsc1 Show InChI InChI=1S/C23H21BrN2OS/c1-27-21-6-5-17-12-19(14-25-9-7-16-3-2-4-20(24)11-16)23(26-22(17)13-21)18-8-10-28-15-18/h2-6,8,10-13,15,25H,7,9,14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kalypsys, Inc. Curated by ChEMBL					Assay Description Agonist activity at human TGR5 receptor expressed in HEK293 cells assessed as intracellular cAMP level				Bioorg Med Chem Lett 20: 5718-21 (2010) Article DOI: 10.1016/j.bmcl.2010.08.014 BindingDB Entry DOI: 10.7270/Q2N87B1H
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Mus musculus)	BDBM50327516 (2-(4-bromophenyl)-N-((7-methoxy-2-(thiophen-3-yl)q...) Show SMILES COc1ccc2cc(CNCCc3ccc(Br)cc3)c(nc2c1)-c1ccsc1 Show InChI InChI=1S/C23H21BrN2OS/c1-27-21-7-4-17-12-19(14-25-10-8-16-2-5-20(24)6-3-16)23(26-22(17)13-21)18-9-11-28-15-18/h2-7,9,11-13,15,25H,8,10,14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kalypsys, Inc. Curated by ChEMBL					Assay Description Agonist activity at mouse TGR5 receptor expressed in HEK293 cells assessed as intracellular cAMP level				Bioorg Med Chem Lett 20: 5718-21 (2010) Article DOI: 10.1016/j.bmcl.2010.08.014 BindingDB Entry DOI: 10.7270/Q2N87B1H
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Mus musculus)	BDBM50327521 (2-(4-chlorophenyl)-N-((7-methoxy-2-(thiophen-3-yl)...) Show SMILES COc1ccc2cc(CNCCc3ccc(Cl)cc3)c(nc2c1)-c1ccsc1 Show InChI InChI=1S/C23H21ClN2OS/c1-27-21-7-4-17-12-19(14-25-10-8-16-2-5-20(24)6-3-16)23(26-22(17)13-21)18-9-11-28-15-18/h2-7,9,11-13,15,25H,8,10,14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kalypsys, Inc. Curated by ChEMBL					Assay Description Agonist activity at mouse TGR5 receptor expressed in HEK293 cells assessed as intracellular cAMP level				Bioorg Med Chem Lett 20: 5718-21 (2010) Article DOI: 10.1016/j.bmcl.2010.08.014 BindingDB Entry DOI: 10.7270/Q2N87B1H
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Mus musculus)	BDBM50327527 (2-(4-bromophenyl)-N-((7-methoxy-2-(pyridin-4-yl)qu...) Show SMILES COc1ccc2cc(CNCCc3ccc(Br)cc3)c(nc2c1)-c1ccncc1 Show InChI InChI=1S/C24H22BrN3O/c1-29-22-7-4-19-14-20(16-27-11-8-17-2-5-21(25)6-3-17)24(28-23(19)15-22)18-9-12-26-13-10-18/h2-7,9-10,12-15,27H,8,11,16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kalypsys, Inc. Curated by ChEMBL					Assay Description Agonist activity at mouse TGR5 receptor expressed in HEK293 cells assessed as intracellular cAMP level				Bioorg Med Chem Lett 20: 5718-21 (2010) Article DOI: 10.1016/j.bmcl.2010.08.014 BindingDB Entry DOI: 10.7270/Q2N87B1H
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Mus musculus)	BDBM50327518 (1-(7-methoxy-2-(thiophen-3-yl)quinolin-3-yl)-N-(4-...) Show SMILES COc1ccc2cc(CNCc3ccc(C)cc3)c(nc2c1)-c1ccsc1 Show InChI InChI=1S/C23H22N2OS/c1-16-3-5-17(6-4-16)13-24-14-20-11-18-7-8-21(26-2)12-22(18)25-23(20)19-9-10-27-15-19/h3-12,15,24H,13-14H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kalypsys, Inc. Curated by ChEMBL					Assay Description Agonist activity at mouse TGR5 receptor expressed in HEK293 cells assessed as intracellular cAMP level				Bioorg Med Chem Lett 20: 5718-21 (2010) Article DOI: 10.1016/j.bmcl.2010.08.014 BindingDB Entry DOI: 10.7270/Q2N87B1H
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Mus musculus)	BDBM50327525 (2-(4-bromophenyl)-N-((2-(furan-2-yl)-7-methoxyquin...) Show SMILES COc1ccc2cc(CNCCc3ccc(Br)cc3)c(nc2c1)-c1ccco1 Show InChI InChI=1S/C23H21BrN2O2/c1-27-20-9-6-17-13-18(15-25-11-10-16-4-7-19(24)8-5-16)23(26-21(17)14-20)22-3-2-12-28-22/h2-9,12-14,25H,10-11,15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kalypsys, Inc. Curated by ChEMBL					Assay Description Agonist activity at mouse TGR5 receptor expressed in HEK293 cells assessed as intracellular cAMP level				Bioorg Med Chem Lett 20: 5718-21 (2010) Article DOI: 10.1016/j.bmcl.2010.08.014 BindingDB Entry DOI: 10.7270/Q2N87B1H
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Mus musculus)	BDBM50327520 (CHEMBL1258310 | N-(4-chlorobenzyl)-1-(7-methoxy-2-...) Show SMILES COc1ccc2cc(CNCc3ccc(Cl)cc3)c(nc2c1)-c1ccsc1 Show InChI InChI=1S/C22H19ClN2OS/c1-26-20-7-4-16-10-18(13-24-12-15-2-5-19(23)6-3-15)22(25-21(16)11-20)17-8-9-27-14-17/h2-11,14,24H,12-13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kalypsys, Inc. Curated by ChEMBL					Assay Description Agonist activity at mouse TGR5 receptor expressed in HEK293 cells assessed as intracellular cAMP level				Bioorg Med Chem Lett 20: 5718-21 (2010) Article DOI: 10.1016/j.bmcl.2010.08.014 BindingDB Entry DOI: 10.7270/Q2N87B1H
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Homo sapiens (Human))	BDBM50327534 (2-(4-bromophenyl)-N-((7-ethoxy-2-(thiophen-3-yl)qu...) Show SMILES CCOc1ccc2cc(CNCCc3ccc(Br)cc3)c(nc2c1)-c1ccsc1 Show InChI InChI=1S/C24H23BrN2OS/c1-2-28-22-8-5-18-13-20(15-26-11-9-17-3-6-21(25)7-4-17)24(27-23(18)14-22)19-10-12-29-16-19/h3-8,10,12-14,16,26H,2,9,11,15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kalypsys, Inc. Curated by ChEMBL					Assay Description Agonist activity at human TGR5 receptor expressed in HEK293 cells assessed as intracellular cAMP level				Bioorg Med Chem Lett 20: 5718-21 (2010) Article DOI: 10.1016/j.bmcl.2010.08.014 BindingDB Entry DOI: 10.7270/Q2N87B1H
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Mus musculus)	BDBM50327523 (2-(4-bromophenyl)-N-((7-methoxy-2-(thiophen-2-yl)q...) Show SMILES COc1ccc2cc(CNCCc3ccc(Br)cc3)c(nc2c1)-c1cccs1 Show InChI InChI=1S/C23H21BrN2OS/c1-27-20-9-6-17-13-18(15-25-11-10-16-4-7-19(24)8-5-16)23(26-21(17)14-20)22-3-2-12-28-22/h2-9,12-14,25H,10-11,15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	4.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kalypsys, Inc. Curated by ChEMBL					Assay Description Agonist activity at mouse TGR5 receptor expressed in HEK293 cells assessed as intracellular cAMP level				Bioorg Med Chem Lett 20: 5718-21 (2010) Article DOI: 10.1016/j.bmcl.2010.08.014 BindingDB Entry DOI: 10.7270/Q2N87B1H
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Homo sapiens (Human))	BDBM50327530 (2-(4-bromophenyl)-N-((7-methoxy-2-(thiazol-2-yl)qu...) Show SMILES COc1ccc2cc(CNCCc3ccc(Br)cc3)c(nc2c1)-c1nccs1 Show InChI InChI=1S/C22H20BrN3OS/c1-27-19-7-4-16-12-17(14-24-9-8-15-2-5-18(23)6-3-15)21(26-20(16)13-19)22-25-10-11-28-22/h2-7,10-13,24H,8-9,14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kalypsys, Inc. Curated by ChEMBL					Assay Description Agonist activity at human TGR5 receptor expressed in HEK293 cells assessed as intracellular cAMP level				Bioorg Med Chem Lett 20: 5718-21 (2010) Article DOI: 10.1016/j.bmcl.2010.08.014 BindingDB Entry DOI: 10.7270/Q2N87B1H
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Mus musculus)	BDBM50327528 (2-(4-bromophenyl)-N-((7-methoxy-2-(pyridin-3-yl)qu...) Show SMILES COc1ccc2cc(CNCCc3ccc(Br)cc3)c(nc2c1)-c1cccnc1 Show InChI InChI=1S/C24H22BrN3O/c1-29-22-9-6-18-13-20(16-27-12-10-17-4-7-21(25)8-5-17)24(28-23(18)14-22)19-3-2-11-26-15-19/h2-9,11,13-15,27H,10,12,16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kalypsys, Inc. Curated by ChEMBL					Assay Description Agonist activity at mouse TGR5 receptor expressed in HEK293 cells assessed as intracellular cAMP level				Bioorg Med Chem Lett 20: 5718-21 (2010) Article DOI: 10.1016/j.bmcl.2010.08.014 BindingDB Entry DOI: 10.7270/Q2N87B1H
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Homo sapiens (Human))	BDBM50327532 (2-(4-bromophenyl)-N-((7-methyl-2-(thiophen-3-yl)qu...) Show SMILES Cc1ccc2cc(CNCCc3ccc(Br)cc3)c(nc2c1)-c1ccsc1 Show InChI InChI=1S/C23H21BrN2S/c1-16-2-5-18-13-20(14-25-10-8-17-3-6-21(24)7-4-17)23(26-22(18)12-16)19-9-11-27-15-19/h2-7,9,11-13,15,25H,8,10,14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kalypsys, Inc. Curated by ChEMBL					Assay Description Agonist activity at human TGR5 receptor expressed in HEK293 cells assessed as intracellular cAMP level				Bioorg Med Chem Lett 20: 5718-21 (2010) Article DOI: 10.1016/j.bmcl.2010.08.014 BindingDB Entry DOI: 10.7270/Q2N87B1H
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Homo sapiens (Human))	BDBM50327538 (3-((4-bromophenethylamino)methyl)-2-(thiophen-3-yl...) Show SMILES Oc1ccc2cc(CNCCc3ccc(Br)cc3)c(nc2c1)-c1ccsc1 Show InChI InChI=1S/C22H19BrN2OS/c23-19-4-1-15(2-5-19)7-9-24-13-18-11-16-3-6-20(26)12-21(16)25-22(18)17-8-10-27-14-17/h1-6,8,10-12,14,24,26H,7,9,13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kalypsys, Inc. Curated by ChEMBL					Assay Description Agonist activity at human TGR5 receptor expressed in HEK293 cells assessed as intracellular cAMP level				Bioorg Med Chem Lett 20: 5718-21 (2010) Article DOI: 10.1016/j.bmcl.2010.08.014 BindingDB Entry DOI: 10.7270/Q2N87B1H
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Mus musculus)	BDBM21680 ((4R)-4-[(1S,2S,5R,7S,9R,10R,11S,14R,15R,16S)-5,9,1...) Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCC(O)=O Show InChI InChI=1S/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14+,15-,16-,17+,18+,19-,20+,22+,23+,24-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	5.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kalypsys, Inc. Curated by ChEMBL					Assay Description Agonist activity at mouse TGR5 receptor expressed in HEK293 cells assessed as intracellular cAMP level				Bioorg Med Chem Lett 20: 5718-21 (2010) Article DOI: 10.1016/j.bmcl.2010.08.014 BindingDB Entry DOI: 10.7270/Q2N87B1H
					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Bos taurus (Bovine))	BDBM50338853 (1-(3-(Furan-2-yl)-4,5-dihydro-5-(pyridin-4-yl)pyra...) Show SMILES CC(=O)N1N=C(CC1c1ccncc1)c1ccco1 |c:4| Show InChI InChI=1S/C14H13N3O2/c1-10(18)17-13(11-4-6-15-7-5-11)9-12(16-17)14-3-2-8-19-14/h2-8,13H,9H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Indo-Soviet Friendship College of Pharmacy Curated by ChEMBL					Assay Description Inhibition of bovine Xanthine oxidase assessed as decrease in uric acid production preincubated at 293 nM of compound for 5 mins by spectrophotometry				Bioorg Med Chem 19: 1950-8 (2011) Article DOI: 10.1016/j.bmc.2011.01.058 BindingDB Entry DOI: 10.7270/Q237791S
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Homo sapiens (Human))	BDBM50327537 (2-(4-bromophenyl)-N-((2-(thiophen-3-yl)quinolin-3-...) Show SMILES Brc1ccc(CCNCc2cc3ccccc3nc2-c2ccsc2)cc1 Show InChI InChI=1S/C22H19BrN2S/c23-20-7-5-16(6-8-20)9-11-24-14-19-13-17-3-1-2-4-21(17)25-22(19)18-10-12-26-15-18/h1-8,10,12-13,15,24H,9,11,14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kalypsys, Inc. Curated by ChEMBL					Assay Description Agonist activity at human TGR5 receptor expressed in HEK293 cells assessed as intracellular cAMP level				Bioorg Med Chem Lett 20: 5718-21 (2010) Article DOI: 10.1016/j.bmcl.2010.08.014 BindingDB Entry DOI: 10.7270/Q2N87B1H
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Homo sapiens (Human))	BDBM21680 ((4R)-4-[(1S,2S,5R,7S,9R,10R,11S,14R,15R,16S)-5,9,1...) Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCC(O)=O Show InChI InChI=1S/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14+,15-,16-,17+,18+,19-,20+,22+,23+,24-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kalypsys, Inc. Curated by ChEMBL					Assay Description Agonist activity at human TGR5 receptor expressed in HEK293 cells assessed as intracellular cAMP level				Bioorg Med Chem Lett 20: 5718-21 (2010) Article DOI: 10.1016/j.bmcl.2010.08.014 BindingDB Entry DOI: 10.7270/Q2N87B1H
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Mus musculus)	BDBM50327524 (2-(4-bromophenyl)-N-((2-(furan-3-yl)-7-methoxyquin...) Show SMILES COc1ccc2cc(CNCCc3ccc(Br)cc3)c(nc2c1)-c1ccoc1 Show InChI InChI=1S/C23H21BrN2O2/c1-27-21-7-4-17-12-19(14-25-10-8-16-2-5-20(24)6-3-16)23(26-22(17)13-21)18-9-11-28-15-18/h2-7,9,11-13,15,25H,8,10,14H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	6.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kalypsys, Inc. Curated by ChEMBL					Assay Description Agonist activity at mouse TGR5 receptor expressed in HEK293 cells assessed as intracellular cAMP level				Bioorg Med Chem Lett 20: 5718-21 (2010) Article DOI: 10.1016/j.bmcl.2010.08.014 BindingDB Entry DOI: 10.7270/Q2N87B1H
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Homo sapiens (Human))	BDBM50327533 (2-(4-bromophenyl)-N-((7-chloro-2-(thiophen-3-yl)qu...) Show SMILES Clc1ccc2cc(CNCCc3ccc(Br)cc3)c(nc2c1)-c1ccsc1 Show InChI InChI=1S/C22H18BrClN2S/c23-19-4-1-15(2-5-19)7-9-25-13-18-11-16-3-6-20(24)12-21(16)26-22(18)17-8-10-27-14-17/h1-6,8,10-12,14,25H,7,9,13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kalypsys, Inc. Curated by ChEMBL					Assay Description Agonist activity at human TGR5 receptor expressed in HEK293 cells assessed as intracellular cAMP level				Bioorg Med Chem Lett 20: 5718-21 (2010) Article DOI: 10.1016/j.bmcl.2010.08.014 BindingDB Entry DOI: 10.7270/Q2N87B1H
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Mus musculus)	BDBM50327526 (2-(4-bromophenyl)-N-((7-methoxy-2-phenylquinolin-3...) Show SMILES COc1ccc2cc(CNCCc3ccc(Br)cc3)c(nc2c1)-c1ccccc1 Show InChI InChI=1S/C25H23BrN2O/c1-29-23-12-9-20-15-21(17-27-14-13-18-7-10-22(26)11-8-18)25(28-24(20)16-23)19-5-3-2-4-6-19/h2-12,15-16,27H,13-14,17H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kalypsys, Inc. Curated by ChEMBL					Assay Description Agonist activity at mouse TGR5 receptor expressed in HEK293 cells assessed as intracellular cAMP level				Bioorg Med Chem Lett 20: 5718-21 (2010) Article DOI: 10.1016/j.bmcl.2010.08.014 BindingDB Entry DOI: 10.7270/Q2N87B1H
					More data for this Ligand-Target Pair

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