Compile Data Set for Download or QSAR

Found 12 hits Enz. Inhib. hit(s) with all data for entry = 50010628   

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
G-protein coupled bile acid receptor 1 (Homo sapiens (Human))	BDBM50540717 (CHEMBL4643260) Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])C[C@H](O)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC#N |r| Show InChI InChI=1S/C23H37NO2/c1-14(8-11-24)17-4-5-18-16-13-21(26)20-12-15(25)6-9-23(20,3)19(16)7-10-22(17,18)2/h14-21,25-26H,4-10,12-13H2,1-3H3/t14-,15-,16+,17-,18+,19+,20+,21+,22-,23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.65E+3	n/a	n/a	n/a	n/a
University of Naples "Federico II" Curated by ChEMBL					Assay Description Agonist activity at human GPBAR1 receptor expressed in HEK293T cells after 18 hrs by cAMP response element driven renilla-luciferase dual reporter ge...				ACS Med Chem Lett 11: 818-824 (2020) Article DOI: 10.1021/acsmedchemlett.9b00636 BindingDB Entry DOI: 10.7270/Q2DV1PD0
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Homo sapiens (Human))	BDBM50540718 (CHEMBL4635684) Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])C[C@](C)(O)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC#N |r| Show InChI InChI=1S/C24H39NO2/c1-15(9-12-25)18-5-6-19-17-14-24(4,27)21-13-16(26)7-10-23(21,3)20(17)8-11-22(18,19)2/h15-21,26-27H,5-11,13-14H2,1-4H3/t15-,16-,17+,18-,19+,20+,21-,22-,23-,24+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	6.90E+3	n/a	n/a	n/a	n/a
University of Naples "Federico II" Curated by ChEMBL					Assay Description Agonist activity at human GPBAR1 receptor expressed in HEK293T cells after 18 hrs by cAMP response element driven renilla-luciferase dual reporter ge...				ACS Med Chem Lett 11: 818-824 (2020) Article DOI: 10.1021/acsmedchemlett.9b00636 BindingDB Entry DOI: 10.7270/Q2DV1PD0
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Homo sapiens (Human))	BDBM50540719 (CHEMBL4643368) Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])C[C@@](C)(O)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC#N |r| Show InChI InChI=1S/C24H39NO2/c1-15(9-12-25)18-5-6-19-17-14-24(4,27)21-13-16(26)7-10-23(21,3)20(17)8-11-22(18,19)2/h15-21,26-27H,5-11,13-14H2,1-4H3/t15-,16-,17+,18-,19+,20+,21-,22-,23-,24-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	570	n/a	n/a	n/a	n/a
University of Naples "Federico II" Curated by ChEMBL					Assay Description Agonist activity at human GPBAR1 receptor expressed in HEK293T cells after 18 hrs by cAMP response element driven renilla-luciferase dual reporter ge...				ACS Med Chem Lett 11: 818-824 (2020) Article DOI: 10.1021/acsmedchemlett.9b00636 BindingDB Entry DOI: 10.7270/Q2DV1PD0
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Homo sapiens (Human))	BDBM50540720 (CHEMBL4647613) Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])C[C@@](O)(CC)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC#N |r| Show InChI InChI=1S/C25H41NO2/c1-5-25(28)15-18-20-7-6-19(16(2)10-13-26)23(20,3)12-9-21(18)24(4)11-8-17(27)14-22(24)25/h16-22,27-28H,5-12,14-15H2,1-4H3/t16-,17-,18+,19-,20+,21+,22-,23-,24-,25+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	300	n/a	n/a	n/a	n/a
University of Naples "Federico II" Curated by ChEMBL					Assay Description Agonist activity at human GPBAR1 receptor expressed in HEK293T cells after 18 hrs by cAMP response element driven renilla-luciferase dual reporter ge...				ACS Med Chem Lett 11: 818-824 (2020) Article DOI: 10.1021/acsmedchemlett.9b00636 BindingDB Entry DOI: 10.7270/Q2DV1PD0
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Homo sapiens (Human))	BDBM50540721 (CHEMBL4646200) Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])C[C@](O)(CC)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC#N |r| Show InChI InChI=1S/C25H41NO2/c1-5-25(28)15-18-20-7-6-19(16(2)10-13-26)23(20,3)12-9-21(18)24(4)11-8-17(27)14-22(24)25/h16-22,27-28H,5-12,14-15H2,1-4H3/t16-,17-,18+,19-,20+,21+,22-,23-,24-,25-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	660	n/a	n/a	n/a	n/a
University of Naples "Federico II" Curated by ChEMBL					Assay Description Agonist activity at human GPBAR1 receptor expressed in HEK293T cells after 18 hrs by cAMP response element driven renilla-luciferase dual reporter ge...				ACS Med Chem Lett 11: 818-824 (2020) Article DOI: 10.1021/acsmedchemlett.9b00636 BindingDB Entry DOI: 10.7270/Q2DV1PD0
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Homo sapiens (Human))	BDBM50540728 (CHEMBL4644760) Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])C[C@](O)(Cc4ccccc4)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC#N |r| Show InChI InChI=1S/C30H43NO2/c1-20(13-16-31)24-9-10-25-23-19-30(33,18-21-7-5-4-6-8-21)27-17-22(32)11-14-29(27,3)26(23)12-15-28(24,25)2/h4-8,20,22-27,32-33H,9-15,17-19H2,1-3H3/t20-,22-,23+,24-,25+,26+,27-,28-,29-,30-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	9.33E+3	n/a	n/a	n/a	n/a
University of Naples "Federico II" Curated by ChEMBL					Assay Description Agonist activity at human GPBAR1 receptor expressed in HEK293T cells after 18 hrs by cAMP response element driven renilla-luciferase dual reporter ge...				ACS Med Chem Lett 11: 818-824 (2020) Article DOI: 10.1021/acsmedchemlett.9b00636 BindingDB Entry DOI: 10.7270/Q2DV1PD0
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Homo sapiens (Human))	BDBM50540723 (CHEMBL4638053) Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])C[C@@](O)(C(C)C)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC#N |r| Show InChI InChI=1S/C26H43NO2/c1-16(2)26(29)15-19-21-7-6-20(17(3)10-13-27)24(21,4)12-9-22(19)25(5)11-8-18(28)14-23(25)26/h16-23,28-29H,6-12,14-15H2,1-5H3/t17-,18-,19+,20-,21+,22+,23-,24-,25-,26-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.78E+3	n/a	n/a	n/a	n/a
University of Naples "Federico II" Curated by ChEMBL					Assay Description Agonist activity at human GPBAR1 receptor expressed in HEK293T cells after 18 hrs by cAMP response element driven renilla-luciferase dual reporter ge...				ACS Med Chem Lett 11: 818-824 (2020) Article DOI: 10.1021/acsmedchemlett.9b00636 BindingDB Entry DOI: 10.7270/Q2DV1PD0
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Homo sapiens (Human))	BDBM50540724 (CHEMBL4646264) Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])C[C@@](O)(C=C)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC#N |r| Show InChI InChI=1S/C25H39NO2/c1-5-25(28)15-18-20-7-6-19(16(2)10-13-26)23(20,3)12-9-21(18)24(4)11-8-17(27)14-22(24)25/h5,16-22,27-28H,1,6-12,14-15H2,2-4H3/t16-,17-,18+,19-,20+,21+,22-,23-,24-,25+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.26E+3	n/a	n/a	n/a	n/a
University of Naples "Federico II" Curated by ChEMBL					Assay Description Agonist activity at human GPBAR1 receptor expressed in HEK293T cells after 18 hrs by cAMP response element driven renilla-luciferase dual reporter ge...				ACS Med Chem Lett 11: 818-824 (2020) Article DOI: 10.1021/acsmedchemlett.9b00636 BindingDB Entry DOI: 10.7270/Q2DV1PD0
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Homo sapiens (Human))	BDBM50540725 (CHEMBL4637054) Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])C[C@@](O)(CCCC=C)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC#N |r| Show InChI InChI=1S/C28H45NO2/c1-5-6-7-13-28(31)18-21-23-9-8-22(19(2)12-16-29)26(23,3)15-11-24(21)27(4)14-10-20(30)17-25(27)28/h5,19-25,30-31H,1,6-15,17-18H2,2-4H3/t19-,20-,21+,22-,23+,24+,25-,26-,27-,28+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	780	n/a	n/a	n/a	n/a
University of Naples "Federico II" Curated by ChEMBL					Assay Description Agonist activity at human GPBAR1 receptor expressed in HEK293T cells after 18 hrs by cAMP response element driven renilla-luciferase dual reporter ge...				ACS Med Chem Lett 11: 818-824 (2020) Article DOI: 10.1021/acsmedchemlett.9b00636 BindingDB Entry DOI: 10.7270/Q2DV1PD0
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Homo sapiens (Human))	BDBM50540726 (CHEMBL4635505) Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])C[C@@](O)(c4ccccc4)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC#N |r| Show InChI InChI=1S/C29H41NO2/c1-19(13-16-30)23-9-10-24-22-18-29(32,20-7-5-4-6-8-20)26-17-21(31)11-14-28(26,3)25(22)12-15-27(23,24)2/h4-8,19,21-26,31-32H,9-15,17-18H2,1-3H3/t19-,21-,22+,23-,24+,25+,26-,27-,28-,29-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	4.58E+3	n/a	n/a	n/a	n/a
University of Naples "Federico II" Curated by ChEMBL					Assay Description Agonist activity at human GPBAR1 receptor expressed in HEK293T cells after 18 hrs by cAMP response element driven renilla-luciferase dual reporter ge...				ACS Med Chem Lett 11: 818-824 (2020) Article DOI: 10.1021/acsmedchemlett.9b00636 BindingDB Entry DOI: 10.7270/Q2DV1PD0
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Homo sapiens (Human))	BDBM50540727 (CHEMBL4642126) Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])C[C@](O)(CC=C)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC#N |r| Show InChI InChI=1S/C26H41NO2/c1-5-11-26(29)16-19-21-7-6-20(17(2)10-14-27)24(21,3)13-9-22(19)25(4)12-8-18(28)15-23(25)26/h5,17-23,28-29H,1,6-13,15-16H2,2-4H3/t17-,18-,19+,20-,21+,22+,23-,24-,25-,26-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	100	n/a	n/a	n/a	n/a
University of Naples "Federico II" Curated by ChEMBL					Assay Description Agonist activity at human GPBAR1 receptor expressed in HEK293T cells after 18 hrs by cAMP response element driven renilla-luciferase dual reporter ge...				ACS Med Chem Lett 11: 818-824 (2020) Article DOI: 10.1021/acsmedchemlett.9b00636 BindingDB Entry DOI: 10.7270/Q2DV1PD0
					More data for this Ligand-Target Pair
G-protein coupled bile acid receptor 1 (Homo sapiens (Human))	BDBM50540722 (CHEMBL4648823) Show SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])C[C@@](O)(CCC)[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CC#N |r| Show InChI InChI=1S/C26H43NO2/c1-5-11-26(29)16-19-21-7-6-20(17(2)10-14-27)24(21,3)13-9-22(19)25(4)12-8-18(28)15-23(25)26/h17-23,28-29H,5-13,15-16H2,1-4H3/t17-,18-,19+,20-,21+,22+,23-,24-,25-,26+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a
University of Naples "Federico II" Curated by ChEMBL					Assay Description Agonist activity at human GPBAR1 receptor expressed in HEK293T cells after 18 hrs by cAMP response element driven renilla-luciferase dual reporter ge...				ACS Med Chem Lett 11: 818-824 (2020) Article DOI: 10.1021/acsmedchemlett.9b00636 BindingDB Entry DOI: 10.7270/Q2DV1PD0
					More data for this Ligand-Target Pair