Compile Data Set for Download or QSAR

Found 64 hits Enz. Inhib. hit(s) with all data for entry = 50031788   

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
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM23520 (2-{3-[4-(2-chloro-4-hydroxyphenyl)phenyl]propanami...) Show SMILES OC(=O)c1ccccc1NC(=O)CCc1ccc(cc1)-c1ccc(O)cc1Cl Show InChI InChI=1S/C22H18ClNO4/c23-19-13-16(25)10-11-17(19)15-8-5-14(6-9-15)7-12-21(26)24-20-4-2-1-3-18(20)22(27)28/h1-6,8-11,13,25H,7,12H2,(H,24,26)(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]niacin from GRP109A receptor				Bioorg Med Chem Lett 20: 3372-5 (2010) Article DOI: 10.1016/j.bmcl.2010.04.013 BindingDB Entry DOI: 10.7270/Q2C24WM2
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM50319241 (5-(3,5-difluorophenyl)-2-(3-(1-(5-hydroxypyridin-2...) Show SMILES CC(Cc1ccn(n1)-c1ccc(O)cn1)C(=O)NC1=C(CC(CC1)c1cc(F)cc(F)c1)C(O)=O |t:20| Show InChI InChI=1S/C25H24F2N4O4/c1-14(8-19-6-7-31(30-19)23-5-3-20(32)13-28-23)24(33)29-22-4-2-15(11-21(22)25(34)35)16-9-17(26)12-18(27)10-16/h3,5-7,9-10,12-15,32H,2,4,8,11H2,1H3,(H,29,33)(H,34,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]niacin from GRP109A receptor				Bioorg Med Chem Lett 20: 3372-5 (2010) Article DOI: 10.1016/j.bmcl.2010.04.013 BindingDB Entry DOI: 10.7270/Q2C24WM2
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM50319261 (2-(3-(1-(5-hydroxypyridin-2-yl)-1H-pyrazol-3-yl)pr...) Show SMILES OC(=O)C1=C(CCCC1)NC(=O)CCc1ccn(n1)-c1ccc(O)cn1 |t:3| Show InChI InChI=1S/C18H20N4O4/c23-13-6-7-16(19-11-13)22-10-9-12(21-22)5-8-17(24)20-15-4-2-1-3-14(15)18(25)26/h6-7,9-11,23H,1-5,8H2,(H,20,24)(H,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]niacin from GRP109A receptor				Bioorg Med Chem Lett 20: 3372-5 (2010) Article DOI: 10.1016/j.bmcl.2010.04.013 BindingDB Entry DOI: 10.7270/Q2C24WM2
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM50319247 (4-(2,3-difluorophenyl)-2-(3-(1-(5-hydroxypyridin-2...) Show SMILES CC(Cc1ccn(n1)-c1ccc(O)cn1)C(=O)NC1=C(CCC(C1)c1cccc(F)c1F)C(O)=O |t:20| Show InChI InChI=1S/C25H24F2N4O4/c1-14(11-16-9-10-31(30-16)22-8-6-17(32)13-28-22)24(33)29-21-12-15(5-7-19(21)25(34)35)18-3-2-4-20(26)23(18)27/h2-4,6,8-10,13-15,32H,5,7,11-12H2,1H3,(H,29,33)(H,34,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]niacin from GRP109A receptor				Bioorg Med Chem Lett 20: 3372-5 (2010) Article DOI: 10.1016/j.bmcl.2010.04.013 BindingDB Entry DOI: 10.7270/Q2C24WM2
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM50319252 (2-(3-(1-(5-hydroxypyridin-2-yl)-5-methyl-1H-pyrazo...) Show SMILES Cc1c(CCC(=O)NC2=C(CCCC2)C(O)=O)cnn1-c1ccc(O)cn1 |t:8| Show InChI InChI=1S/C19H22N4O4/c1-12-13(10-21-23(12)17-8-7-14(24)11-20-17)6-9-18(25)22-16-5-3-2-4-15(16)19(26)27/h7-8,10-11,24H,2-6,9H2,1H3,(H,22,25)(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]niacin from GRP109A receptor				Bioorg Med Chem Lett 20: 3372-5 (2010) Article DOI: 10.1016/j.bmcl.2010.04.013 BindingDB Entry DOI: 10.7270/Q2C24WM2
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM50319258 (2-(3-(1-(5-hydroxypyridin-2-yl)-1H-pyrazol-3-yl)-2...) Show SMILES CCCC1CCC(C(O)=O)=C(C1)NC(=O)C(C)Cc1ccn(n1)-c1ccc(O)cn1 |c:9| Show InChI InChI=1S/C22H28N4O4/c1-3-4-15-5-7-18(22(29)30)19(12-15)24-21(28)14(2)11-16-9-10-26(25-16)20-8-6-17(27)13-23-20/h6,8-10,13-15,27H,3-5,7,11-12H2,1-2H3,(H,24,28)(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]niacin from GRP109A receptor				Bioorg Med Chem Lett 20: 3372-5 (2010) Article DOI: 10.1016/j.bmcl.2010.04.013 BindingDB Entry DOI: 10.7270/Q2C24WM2
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM50319260 (2-(3-(1-(5-hydroxypyridin-2-yl)-1H-pyrazol-3-yl)-2...) Show SMILES CC(Cc1ccn(n1)-c1ccc(O)cn1)C(=O)NC1=C(CCCC1)C(O)=O |t:20| Show InChI InChI=1S/C19H22N4O4/c1-12(18(25)21-16-5-3-2-4-15(16)19(26)27)10-13-8-9-23(22-13)17-7-6-14(24)11-20-17/h6-9,11-12,24H,2-5,10H2,1H3,(H,21,25)(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]niacin from GRP109A receptor				Bioorg Med Chem Lett 20: 3372-5 (2010) Article DOI: 10.1016/j.bmcl.2010.04.013 BindingDB Entry DOI: 10.7270/Q2C24WM2
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM50319248 (4-(3-fluorophenyl)-2-(3-(1-(5-hydroxypyridin-2-yl)...) Show SMILES CC(Cc1ccn(n1)-c1ccc(O)cn1)C(=O)NC1=C(CCC(C1)c1cccc(F)c1)C(O)=O |t:20| Show InChI InChI=1S/C25H25FN4O4/c1-15(11-19-9-10-30(29-19)23-8-6-20(31)14-27-23)24(32)28-22-13-17(5-7-21(22)25(33)34)16-3-2-4-18(26)12-16/h2-4,6,8-10,12,14-15,17,31H,5,7,11,13H2,1H3,(H,28,32)(H,33,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]niacin from GRP109A receptor				Bioorg Med Chem Lett 20: 3372-5 (2010) Article DOI: 10.1016/j.bmcl.2010.04.013 BindingDB Entry DOI: 10.7270/Q2C24WM2
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM50319249 ((4R)-2-(3-(1-(5-hydroxypyridin-2-yl)-1H-pyrazol-3-...) Show SMILES CC(Cc1ccn(n1)-c1ccc(O)cn1)C(=O)NC1=C(CC[C@@H](C)C1)C(O)=O |r,t:20| Show InChI InChI=1S/C20H24N4O4/c1-12-3-5-16(20(27)28)17(9-12)22-19(26)13(2)10-14-7-8-24(23-14)18-6-4-15(25)11-21-18/h4,6-8,11-13,25H,3,5,9-10H2,1-2H3,(H,22,26)(H,27,28)/t12-,13?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]niacin from GRP109A receptor				Bioorg Med Chem Lett 20: 3372-5 (2010) Article DOI: 10.1016/j.bmcl.2010.04.013 BindingDB Entry DOI: 10.7270/Q2C24WM2
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM50319246 (2-(3-(1-(5-hydroxypyridin-2-yl)-1H-pyrazol-3-yl)-2...) Show SMILES CC(Cc1ccn(n1)-c1ccc(O)cn1)C(=O)NC1=C(CCC(C1)c1cc(F)c(F)c(F)c1)C(O)=O |t:20| Show InChI InChI=1S/C25H23F3N4O4/c1-13(8-16-6-7-32(31-16)22-5-3-17(33)12-29-22)24(34)30-21-11-14(2-4-18(21)25(35)36)15-9-19(26)23(28)20(27)10-15/h3,5-7,9-10,12-14,33H,2,4,8,11H2,1H3,(H,30,34)(H,35,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]niacin from GRP109A receptor				Bioorg Med Chem Lett 20: 3372-5 (2010) Article DOI: 10.1016/j.bmcl.2010.04.013 BindingDB Entry DOI: 10.7270/Q2C24WM2
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM50319254 (2-(3-(1-(5-hydroxypyridin-2-yl)-5-methyl-1H-pyrazo...) Show SMILES Cc1c(CCC(=O)Nc2ccccc2C(O)=O)cnn1-c1ccc(O)cn1 Show InChI InChI=1S/C19H18N4O4/c1-12-13(10-21-23(12)17-8-7-14(24)11-20-17)6-9-18(25)22-16-5-3-2-4-15(16)19(26)27/h2-5,7-8,10-11,24H,6,9H2,1H3,(H,22,25)(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]niacin from GRP109A receptor				Bioorg Med Chem Lett 20: 3372-5 (2010) Article DOI: 10.1016/j.bmcl.2010.04.013 BindingDB Entry DOI: 10.7270/Q2C24WM2
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM50319257 (2-(3-(2'-chlorobiphenyl-4-yl)propanamido)benzoicac...) Show SMILES OC(=O)c1ccccc1NC(=O)CCc1ccc(cc1)-c1ccccc1Cl Show InChI InChI=1S/C22H18ClNO3/c23-19-7-3-1-5-17(19)16-12-9-15(10-13-16)11-14-21(25)24-20-8-4-2-6-18(20)22(26)27/h1-10,12-13H,11,14H2,(H,24,25)(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]niacin from GRP109A receptor				Bioorg Med Chem Lett 20: 3372-5 (2010) Article DOI: 10.1016/j.bmcl.2010.04.013 BindingDB Entry DOI: 10.7270/Q2C24WM2
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM50319250 (2-(3-(1-(5-hydroxypyridin-2-yl)-1H-pyrazol-4-yl)-2...) Show SMILES CC(Cc1cnn(c1)-c1ccc(O)cn1)C(=O)NC1=C(CCCC1)C(O)=O |t:20| Show InChI InChI=1S/C19H22N4O4/c1-12(18(25)22-16-5-3-2-4-15(16)19(26)27)8-13-9-21-23(11-13)17-7-6-14(24)10-20-17/h6-7,9-12,24H,2-5,8H2,1H3,(H,22,25)(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]niacin from GRP109A receptor				Bioorg Med Chem Lett 20: 3372-5 (2010) Article DOI: 10.1016/j.bmcl.2010.04.013 BindingDB Entry DOI: 10.7270/Q2C24WM2
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM23526 (2-{3-[1-(4-hydroxyphenyl)-5-methyl-1H-pyrazol-4-yl...) Show SMILES Cc1c(CCC(=O)Nc2ccccc2C(O)=O)cnn1-c1ccc(O)cc1 Show InChI InChI=1S/C20H19N3O4/c1-13-14(12-21-23(13)15-7-9-16(24)10-8-15)6-11-19(25)22-18-5-3-2-4-17(18)20(26)27/h2-5,7-10,12,24H,6,11H2,1H3,(H,22,25)(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]niacin from GRP109A receptor				Bioorg Med Chem Lett 20: 3372-5 (2010) Article DOI: 10.1016/j.bmcl.2010.04.013 BindingDB Entry DOI: 10.7270/Q2C24WM2
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM50319255 (2-(3-(1-(5-hydroxypyridin-2-yl)-1H-pyrazol-3-yl)-2...) Show SMILES CC(Cc1ccn(n1)-c1ccc(O)cn1)C(=O)Nc1ccccc1C(O)=O Show InChI InChI=1S/C19H18N4O4/c1-12(18(25)21-16-5-3-2-4-15(16)19(26)27)10-13-8-9-23(22-13)17-7-6-14(24)11-20-17/h2-9,11-12,24H,10H2,1H3,(H,21,25)(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]niacin from GRP109A receptor				Bioorg Med Chem Lett 20: 3372-5 (2010) Article DOI: 10.1016/j.bmcl.2010.04.013 BindingDB Entry DOI: 10.7270/Q2C24WM2
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM50271463 ((R)-2-(3-(1-(4-hydroxyphenyl)-5-methyl-1H-pyrazol-...) Show SMILES C[C@H](Cc1cnn(c1C)-c1ccc(O)cc1)C(=O)NC1=C(CCCC1)C(O)=O |r,t:21| Show InChI InChI=1S/C21H25N3O4/c1-13(20(26)23-19-6-4-3-5-18(19)21(27)28)11-15-12-22-24(14(15)2)16-7-9-17(25)10-8-16/h7-10,12-13,25H,3-6,11H2,1-2H3,(H,23,26)(H,27,28)/t13-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]niacin from GRP109A receptor				Bioorg Med Chem Lett 20: 3372-5 (2010) Article DOI: 10.1016/j.bmcl.2010.04.013 BindingDB Entry DOI: 10.7270/Q2C24WM2
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM50319242 (2-(3-(1-(5-hydroxypyridin-2-yl)-1H-pyrazol-4-yl)pr...) Show SMILES OC(=O)C1=C(CCCC1)NC(=O)CCc1cnn(c1)-c1ccc(O)cn1 |t:3| Show InChI InChI=1S/C18H20N4O4/c23-13-6-7-16(19-10-13)22-11-12(9-20-22)5-8-17(24)21-15-4-2-1-3-14(15)18(25)26/h6-7,9-11,23H,1-5,8H2,(H,21,24)(H,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]niacin from GRP109A receptor				Bioorg Med Chem Lett 20: 3372-5 (2010) Article DOI: 10.1016/j.bmcl.2010.04.013 BindingDB Entry DOI: 10.7270/Q2C24WM2
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM50319256 (2-(3-(1-(4-hydroxyphenyl)-1H-pyrazol-4-yl)propanam...) Show SMILES OC(=O)c1ccccc1NC(=O)CCc1cnn(c1)-c1ccc(O)cc1 Show InChI InChI=1S/C19H17N3O4/c23-15-8-6-14(7-9-15)22-12-13(11-20-22)5-10-18(24)21-17-4-2-1-3-16(17)19(25)26/h1-4,6-9,11-12,23H,5,10H2,(H,21,24)(H,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]niacin from GRP109A receptor				Bioorg Med Chem Lett 20: 3372-5 (2010) Article DOI: 10.1016/j.bmcl.2010.04.013 BindingDB Entry DOI: 10.7270/Q2C24WM2
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM50319251 (2-(3-(1-(5-hydroxypyridin-2-yl)-5-methyl-1H-pyrazo...) Show SMILES CC(Cc1cnn(c1C)-c1ccc(O)cn1)C(=O)NC1=C(CCCC1)C(O)=O |t:21| Show InChI InChI=1S/C20H24N4O4/c1-12(19(26)23-17-6-4-3-5-16(17)20(27)28)9-14-10-22-24(13(14)2)18-8-7-15(25)11-21-18/h7-8,10-12,25H,3-6,9H2,1-2H3,(H,23,26)(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]niacin from GRP109A receptor				Bioorg Med Chem Lett 20: 3372-5 (2010) Article DOI: 10.1016/j.bmcl.2010.04.013 BindingDB Entry DOI: 10.7270/Q2C24WM2
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM23532 (2-{3-[1-(5-hydroxypyridin-2-yl)-1H-pyrazol-3-yl]pr...) Show SMILES OC(=O)c1ccccc1NC(=O)CCc1ccn(n1)-c1ccc(O)cn1 Show InChI InChI=1S/C18H16N4O4/c23-13-6-7-16(19-11-13)22-10-9-12(21-22)5-8-17(24)20-15-4-2-1-3-14(15)18(25)26/h1-4,6-7,9-11,23H,5,8H2,(H,20,24)(H,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	58	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]niacin from GRP109A receptor				Bioorg Med Chem Lett 20: 3372-5 (2010) Article DOI: 10.1016/j.bmcl.2010.04.013 BindingDB Entry DOI: 10.7270/Q2C24WM2
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM50319243 (2-(3-(1-(4-hydroxyphenyl)-5-methyl-1H-pyrazol-4-yl...) Show SMILES CC(Cc1cnn(c1C)-c1ccc(O)cc1)C(=O)Nc1ccccc1C(O)=O Show InChI InChI=1S/C21H21N3O4/c1-13(20(26)23-19-6-4-3-5-18(19)21(27)28)11-15-12-22-24(14(15)2)16-7-9-17(25)10-8-16/h3-10,12-13,25H,11H2,1-2H3,(H,23,26)(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	77	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]niacin from GRP109A receptor				Bioorg Med Chem Lett 20: 3372-5 (2010) Article DOI: 10.1016/j.bmcl.2010.04.013 BindingDB Entry DOI: 10.7270/Q2C24WM2
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM50319253 (2-(3-(1-(5-hydroxypyridin-2-yl)-5-methyl-1H-pyrazo...) Show SMILES CC(Cc1cnn(c1C)-c1ccc(O)cn1)C(=O)Nc1ccccc1C(O)=O Show InChI InChI=1S/C20H20N4O4/c1-12(19(26)23-17-6-4-3-5-16(17)20(27)28)9-14-10-22-24(13(14)2)18-8-7-15(25)11-21-18/h3-8,10-12,25H,9H2,1-2H3,(H,23,26)(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	91	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]niacin from GRP109A receptor				Bioorg Med Chem Lett 20: 3372-5 (2010) Article DOI: 10.1016/j.bmcl.2010.04.013 BindingDB Entry DOI: 10.7270/Q2C24WM2
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM23515 (CHEMBL573 | Niacin | Nicotinic Acid | [5, 6-3H]-ni...) Show SMILES OC(=O)c1cccnc1 Show InChI InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)	PDB Reactome pathway KEGG UniProtKB/SwissProt 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	140	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]niacin from GRP109A receptor				Bioorg Med Chem Lett 20: 3372-5 (2010) Article DOI: 10.1016/j.bmcl.2010.04.013 BindingDB Entry DOI: 10.7270/Q2C24WM2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM50319244 (2-(3-(1-phenyl-1H-pyrazol-4-yl)propanamido)benzoic...) Show SMILES OC(=O)c1ccccc1NC(=O)CCc1cnn(c1)-c1ccccc1 Show InChI InChI=1S/C19H17N3O3/c23-18(21-17-9-5-4-8-16(17)19(24)25)11-10-14-12-20-22(13-14)15-6-2-1-3-7-15/h1-9,12-13H,10-11H2,(H,21,23)(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]niacin from GRP109A receptor				Bioorg Med Chem Lett 20: 3372-5 (2010) Article DOI: 10.1016/j.bmcl.2010.04.013 BindingDB Entry DOI: 10.7270/Q2C24WM2
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM50319245 (2-(3-(1-phenyl-1H-pyrazol-3-yl)propanamido)benzoic...) Show SMILES OC(=O)c1ccccc1NC(=O)CCc1ccn(n1)-c1ccccc1 Show InChI InChI=1S/C19H17N3O3/c23-18(20-17-9-5-4-8-16(17)19(24)25)11-10-14-12-13-22(21-14)15-6-2-1-3-7-15/h1-9,12-13H,10-11H2,(H,20,23)(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]niacin from GRP109A receptor				Bioorg Med Chem Lett 20: 3372-5 (2010) Article DOI: 10.1016/j.bmcl.2010.04.013 BindingDB Entry DOI: 10.7270/Q2C24WM2
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM50319259 (CHEMBL1084060 | rac-cis-2-(3-(1-(5-hydroxypyridin-...) Show SMILES OC(=O)[C@H]1CCCC[C@H]1NC(=O)CCc1ccn(n1)-c1ccc(O)cn1 |r| Show InChI InChI=1S/C18H22N4O4/c23-13-6-7-16(19-11-13)22-10-9-12(21-22)5-8-17(24)20-15-4-2-1-3-14(15)18(25)26/h6-7,9-11,14-15,23H,1-5,8H2,(H,20,24)(H,25,26)/t14-,15+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.31E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]niacin from GRP109A receptor				Bioorg Med Chem Lett 20: 3372-5 (2010) Article DOI: 10.1016/j.bmcl.2010.04.013 BindingDB Entry DOI: 10.7270/Q2C24WM2
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50319245 (2-(3-(1-phenyl-1H-pyrazol-3-yl)propanamido)benzoic...) Show SMILES OC(=O)c1ccccc1NC(=O)CCc1ccn(n1)-c1ccccc1 Show InChI InChI=1S/C19H17N3O3/c23-18(20-17-9-5-4-8-16(17)19(24)25)11-10-14-12-13-22(21-14)15-6-2-1-3-7-15/h1-9,12-13H,10-11H2,(H,20,23)(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of CYP2C9 in human liver microsomes				Bioorg Med Chem Lett 20: 3372-5 (2010) Article DOI: 10.1016/j.bmcl.2010.04.013 BindingDB Entry DOI: 10.7270/Q2C24WM2
					More data for this Ligand-Target Pair
Cytochrome P450 2C8 (Homo sapiens (Human))	BDBM50319245 (2-(3-(1-phenyl-1H-pyrazol-3-yl)propanamido)benzoic...) Show SMILES OC(=O)c1ccccc1NC(=O)CCc1ccn(n1)-c1ccccc1 Show InChI InChI=1S/C19H17N3O3/c23-18(20-17-9-5-4-8-16(17)19(24)25)11-10-14-12-13-22(21-14)15-6-2-1-3-7-15/h1-9,12-13H,10-11H2,(H,20,23)(H,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of CYP2C8 in human liver microsomes				Bioorg Med Chem Lett 20: 3372-5 (2010) Article DOI: 10.1016/j.bmcl.2010.04.013 BindingDB Entry DOI: 10.7270/Q2C24WM2
					More data for this Ligand-Target Pair
Cytochrome P450 2C8 (Homo sapiens (Human))	BDBM50319241 (5-(3,5-difluorophenyl)-2-(3-(1-(5-hydroxypyridin-2...) Show SMILES CC(Cc1ccn(n1)-c1ccc(O)cn1)C(=O)NC1=C(CC(CC1)c1cc(F)cc(F)c1)C(O)=O |t:20| Show InChI InChI=1S/C25H24F2N4O4/c1-14(8-19-6-7-31(30-19)23-5-3-20(32)13-28-23)24(33)29-22-4-2-15(11-21(22)25(34)35)16-9-17(26)12-18(27)10-16/h3,5-7,9-10,12-15,32H,2,4,8,11H2,1H3,(H,29,33)(H,34,35)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of CYP2C8 in human liver microsomes				Bioorg Med Chem Lett 20: 3372-5 (2010) Article DOI: 10.1016/j.bmcl.2010.04.013 BindingDB Entry DOI: 10.7270/Q2C24WM2
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50319244 (2-(3-(1-phenyl-1H-pyrazol-4-yl)propanamido)benzoic...) Show SMILES OC(=O)c1ccccc1NC(=O)CCc1cnn(c1)-c1ccccc1 Show InChI InChI=1S/C19H17N3O3/c23-18(21-17-9-5-4-8-16(17)19(24)25)11-10-14-12-20-22(13-14)15-6-2-1-3-7-15/h1-9,12-13H,10-11H2,(H,21,23)(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of CYP2C9 in human liver microsomes				Bioorg Med Chem Lett 20: 3372-5 (2010) Article DOI: 10.1016/j.bmcl.2010.04.013 BindingDB Entry DOI: 10.7270/Q2C24WM2
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM23526 (2-{3-[1-(4-hydroxyphenyl)-5-methyl-1H-pyrazol-4-yl...) Show SMILES Cc1c(CCC(=O)Nc2ccccc2C(O)=O)cnn1-c1ccc(O)cc1 Show InChI InChI=1S/C20H19N3O4/c1-13-14(12-21-23(13)15-7-9-16(24)10-8-15)6-11-19(25)22-18-5-3-2-4-17(18)20(26)27/h2-5,7-10,12,24H,6,11H2,1H3,(H,22,25)(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of CYP2C9 in human liver microsomes				Bioorg Med Chem Lett 20: 3372-5 (2010) Article DOI: 10.1016/j.bmcl.2010.04.013 BindingDB Entry DOI: 10.7270/Q2C24WM2
					More data for this Ligand-Target Pair
Cytochrome P450 2C8 (Homo sapiens (Human))	BDBM23526 (2-{3-[1-(4-hydroxyphenyl)-5-methyl-1H-pyrazol-4-yl...) Show SMILES Cc1c(CCC(=O)Nc2ccccc2C(O)=O)cnn1-c1ccc(O)cc1 Show InChI InChI=1S/C20H19N3O4/c1-13-14(12-21-23(13)15-7-9-16(24)10-8-15)6-11-19(25)22-18-5-3-2-4-17(18)20(26)27/h2-5,7-10,12,24H,6,11H2,1H3,(H,22,25)(H,26,27)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of CYP2C8 in human liver microsomes				Bioorg Med Chem Lett 20: 3372-5 (2010) Article DOI: 10.1016/j.bmcl.2010.04.013 BindingDB Entry DOI: 10.7270/Q2C24WM2
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50319243 (2-(3-(1-(4-hydroxyphenyl)-5-methyl-1H-pyrazol-4-yl...) Show SMILES CC(Cc1cnn(c1C)-c1ccc(O)cc1)C(=O)Nc1ccccc1C(O)=O Show InChI InChI=1S/C21H21N3O4/c1-13(20(26)23-19-6-4-3-5-18(19)21(27)28)11-15-12-22-24(14(15)2)16-7-9-17(25)10-8-16/h3-10,12-13,25H,11H2,1-2H3,(H,23,26)(H,27,28)	PDB MMDB 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	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of CYP2C9 in human liver microsomes				Bioorg Med Chem Lett 20: 3372-5 (2010) Article DOI: 10.1016/j.bmcl.2010.04.013 BindingDB Entry DOI: 10.7270/Q2C24WM2
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50319241 (5-(3,5-difluorophenyl)-2-(3-(1-(5-hydroxypyridin-2...) Show SMILES CC(Cc1ccn(n1)-c1ccc(O)cn1)C(=O)NC1=C(CC(CC1)c1cc(F)cc(F)c1)C(O)=O |t:20| Show InChI InChI=1S/C25H24F2N4O4/c1-14(8-19-6-7-31(30-19)23-5-3-20(32)13-28-23)24(33)29-22-4-2-15(11-21(22)25(34)35)16-9-17(26)12-18(27)10-16/h3,5-7,9-10,12-15,32H,2,4,8,11H2,1H3,(H,29,33)(H,34,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of CYP2C9 in human liver microsomes				Bioorg Med Chem Lett 20: 3372-5 (2010) Article DOI: 10.1016/j.bmcl.2010.04.013 BindingDB Entry DOI: 10.7270/Q2C24WM2
					More data for this Ligand-Target Pair
Cytochrome P450 2C8 (Homo sapiens (Human))	BDBM50319243 (2-(3-(1-(4-hydroxyphenyl)-5-methyl-1H-pyrazol-4-yl...) Show SMILES CC(Cc1cnn(c1C)-c1ccc(O)cc1)C(=O)Nc1ccccc1C(O)=O Show InChI InChI=1S/C21H21N3O4/c1-13(20(26)23-19-6-4-3-5-18(19)21(27)28)11-15-12-22-24(14(15)2)16-7-9-17(25)10-8-16/h3-10,12-13,25H,11H2,1-2H3,(H,23,26)(H,27,28)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of CYP2C8 in human liver microsomes				Bioorg Med Chem Lett 20: 3372-5 (2010) Article DOI: 10.1016/j.bmcl.2010.04.013 BindingDB Entry DOI: 10.7270/Q2C24WM2
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50319242 (2-(3-(1-(5-hydroxypyridin-2-yl)-1H-pyrazol-4-yl)pr...) Show SMILES OC(=O)C1=C(CCCC1)NC(=O)CCc1cnn(c1)-c1ccc(O)cn1 |t:3| Show InChI InChI=1S/C18H20N4O4/c23-13-6-7-16(19-10-13)22-11-12(9-20-22)5-8-17(24)21-15-4-2-1-3-14(15)18(25)26/h6-7,9-11,23H,1-5,8H2,(H,21,24)(H,25,26)	PDB MMDB 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	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of CYP2C9 in human liver microsomes				Bioorg Med Chem Lett 20: 3372-5 (2010) Article DOI: 10.1016/j.bmcl.2010.04.013 BindingDB Entry DOI: 10.7270/Q2C24WM2
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50271463 ((R)-2-(3-(1-(4-hydroxyphenyl)-5-methyl-1H-pyrazol-...) Show SMILES C[C@H](Cc1cnn(c1C)-c1ccc(O)cc1)C(=O)NC1=C(CCCC1)C(O)=O |r,t:21| Show InChI InChI=1S/C21H25N3O4/c1-13(20(26)23-19-6-4-3-5-18(19)21(27)28)11-15-12-22-24(14(15)2)16-7-9-17(25)10-8-16/h7-10,12-13,25H,3-6,11H2,1-2H3,(H,23,26)(H,27,28)/t13-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of CYP2C9 in human liver microsomes				Bioorg Med Chem Lett 20: 3372-5 (2010) Article DOI: 10.1016/j.bmcl.2010.04.013 BindingDB Entry DOI: 10.7270/Q2C24WM2
					More data for this Ligand-Target Pair
Cytochrome P450 2C8 (Homo sapiens (Human))	BDBM50271463 ((R)-2-(3-(1-(4-hydroxyphenyl)-5-methyl-1H-pyrazol-...) Show SMILES C[C@H](Cc1cnn(c1C)-c1ccc(O)cc1)C(=O)NC1=C(CCCC1)C(O)=O |r,t:21| Show InChI InChI=1S/C21H25N3O4/c1-13(20(26)23-19-6-4-3-5-18(19)21(27)28)11-15-12-22-24(14(15)2)16-7-9-17(25)10-8-16/h7-10,12-13,25H,3-6,11H2,1-2H3,(H,23,26)(H,27,28)/t13-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of CYP2C8 in human liver microsomes				Bioorg Med Chem Lett 20: 3372-5 (2010) Article DOI: 10.1016/j.bmcl.2010.04.013 BindingDB Entry DOI: 10.7270/Q2C24WM2
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM50319261 (2-(3-(1-(5-hydroxypyridin-2-yl)-1H-pyrazol-3-yl)pr...) Show SMILES OC(=O)C1=C(CCCC1)NC(=O)CCc1ccn(n1)-c1ccc(O)cn1 |t:3| Show InChI InChI=1S/C18H20N4O4/c23-13-6-7-16(19-11-13)22-10-9-12(21-22)5-8-17(24)20-15-4-2-1-3-14(15)18(25)26/h6-7,9-11,23H,1-5,8H2,(H,20,24)(H,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	230	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]niacin from GRP109A receptor in presence of 4% human serum				Bioorg Med Chem Lett 20: 3372-5 (2010) Article DOI: 10.1016/j.bmcl.2010.04.013 BindingDB Entry DOI: 10.7270/Q2C24WM2
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM50319259 (CHEMBL1084060 | rac-cis-2-(3-(1-(5-hydroxypyridin-...) Show SMILES OC(=O)[C@H]1CCCC[C@H]1NC(=O)CCc1ccn(n1)-c1ccc(O)cn1 |r| Show InChI InChI=1S/C18H22N4O4/c23-13-6-7-16(19-11-13)22-10-9-12(21-22)5-8-17(24)20-15-4-2-1-3-14(15)18(25)26/h6-7,9-11,14-15,23H,1-5,8H2,(H,20,24)(H,25,26)/t14-,15+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.79E+4	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]niacin from GRP109A receptor in presence of 4% human serum				Bioorg Med Chem Lett 20: 3372-5 (2010) Article DOI: 10.1016/j.bmcl.2010.04.013 BindingDB Entry DOI: 10.7270/Q2C24WM2
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM50319258 (2-(3-(1-(5-hydroxypyridin-2-yl)-1H-pyrazol-3-yl)-2...) Show SMILES CCCC1CCC(C(O)=O)=C(C1)NC(=O)C(C)Cc1ccn(n1)-c1ccc(O)cn1 |c:9| Show InChI InChI=1S/C22H28N4O4/c1-3-4-15-5-7-18(22(29)30)19(12-15)24-21(28)14(2)11-16-9-10-26(25-16)20-8-6-17(27)13-23-20/h6,8-10,13-15,27H,3-5,7,11-12H2,1-2H3,(H,24,28)(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	130	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]niacin from GRP109A receptor in presence of 4% human serum				Bioorg Med Chem Lett 20: 3372-5 (2010) Article DOI: 10.1016/j.bmcl.2010.04.013 BindingDB Entry DOI: 10.7270/Q2C24WM2
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM50319257 (2-(3-(2'-chlorobiphenyl-4-yl)propanamido)benzoicac...) Show SMILES OC(=O)c1ccccc1NC(=O)CCc1ccc(cc1)-c1ccccc1Cl Show InChI InChI=1S/C22H18ClNO3/c23-19-7-3-1-5-17(19)16-12-9-15(10-13-16)11-14-21(25)24-20-8-4-2-6-18(20)22(26)27/h1-10,12-13H,11,14H2,(H,24,25)(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	120	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]niacin from GRP109A receptor in presence of 4% human serum				Bioorg Med Chem Lett 20: 3372-5 (2010) Article DOI: 10.1016/j.bmcl.2010.04.013 BindingDB Entry DOI: 10.7270/Q2C24WM2
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM23515 (CHEMBL573 | Niacin | Nicotinic Acid | [5, 6-3H]-ni...) Show SMILES OC(=O)c1cccnc1 Show InChI InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)	PDB Reactome pathway KEGG UniProtKB/SwissProt 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	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]niacin from GRP109A receptor in presence of 4% human serum				Bioorg Med Chem Lett 20: 3372-5 (2010) Article DOI: 10.1016/j.bmcl.2010.04.013 BindingDB Entry DOI: 10.7270/Q2C24WM2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM50319260 (2-(3-(1-(5-hydroxypyridin-2-yl)-1H-pyrazol-3-yl)-2...) Show SMILES CC(Cc1ccn(n1)-c1ccc(O)cn1)C(=O)NC1=C(CCCC1)C(O)=O |t:20| Show InChI InChI=1S/C19H22N4O4/c1-12(18(25)21-16-5-3-2-4-15(16)19(26)27)10-13-8-9-23(22-13)17-7-6-14(24)11-20-17/h6-9,11-12,24H,2-5,10H2,1H3,(H,21,25)(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	370	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]niacin from GRP109A receptor in presence of 4% human serum				Bioorg Med Chem Lett 20: 3372-5 (2010) Article DOI: 10.1016/j.bmcl.2010.04.013 BindingDB Entry DOI: 10.7270/Q2C24WM2
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM50319245 (2-(3-(1-phenyl-1H-pyrazol-3-yl)propanamido)benzoic...) Show SMILES OC(=O)c1ccccc1NC(=O)CCc1ccn(n1)-c1ccccc1 Show InChI InChI=1S/C19H17N3O3/c23-18(20-17-9-5-4-8-16(17)19(24)25)11-10-14-12-13-22(21-14)15-6-2-1-3-7-15/h1-9,12-13H,10-11H2,(H,20,23)(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	9.50E+3	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]niacin from GRP109A receptor in presence of 4% human serum				Bioorg Med Chem Lett 20: 3372-5 (2010) Article DOI: 10.1016/j.bmcl.2010.04.013 BindingDB Entry DOI: 10.7270/Q2C24WM2
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM50319244 (2-(3-(1-phenyl-1H-pyrazol-4-yl)propanamido)benzoic...) Show SMILES OC(=O)c1ccccc1NC(=O)CCc1cnn(c1)-c1ccccc1 Show InChI InChI=1S/C19H17N3O3/c23-18(21-17-9-5-4-8-16(17)19(24)25)11-10-14-12-20-22(13-14)15-6-2-1-3-7-15/h1-9,12-13H,10-11H2,(H,21,23)(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.90E+3	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]niacin from GRP109A receptor in presence of 4% human serum				Bioorg Med Chem Lett 20: 3372-5 (2010) Article DOI: 10.1016/j.bmcl.2010.04.013 BindingDB Entry DOI: 10.7270/Q2C24WM2
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM50319256 (2-(3-(1-(4-hydroxyphenyl)-1H-pyrazol-4-yl)propanam...) Show SMILES OC(=O)c1ccccc1NC(=O)CCc1cnn(c1)-c1ccc(O)cc1 Show InChI InChI=1S/C19H17N3O4/c23-15-8-6-14(7-9-15)22-12-13(11-20-22)5-10-18(24)21-17-4-2-1-3-16(17)19(25)26/h1-4,6-9,11-12,23H,5,10H2,(H,21,24)(H,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	340	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]niacin from GRP109A receptor in presence of 4% human serum				Bioorg Med Chem Lett 20: 3372-5 (2010) Article DOI: 10.1016/j.bmcl.2010.04.013 BindingDB Entry DOI: 10.7270/Q2C24WM2
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM50319243 (2-(3-(1-(4-hydroxyphenyl)-5-methyl-1H-pyrazol-4-yl...) Show SMILES CC(Cc1cnn(c1C)-c1ccc(O)cc1)C(=O)Nc1ccccc1C(O)=O Show InChI InChI=1S/C21H21N3O4/c1-13(20(26)23-19-6-4-3-5-18(19)21(27)28)11-15-12-22-24(14(15)2)16-7-9-17(25)10-8-16/h3-10,12-13,25H,11H2,1-2H3,(H,23,26)(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]niacin from GRP109A receptor in presence of 4% human serum				Bioorg Med Chem Lett 20: 3372-5 (2010) Article DOI: 10.1016/j.bmcl.2010.04.013 BindingDB Entry DOI: 10.7270/Q2C24WM2
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM23526 (2-{3-[1-(4-hydroxyphenyl)-5-methyl-1H-pyrazol-4-yl...) Show SMILES Cc1c(CCC(=O)Nc2ccccc2C(O)=O)cnn1-c1ccc(O)cc1 Show InChI InChI=1S/C20H19N3O4/c1-13-14(12-21-23(13)15-7-9-16(24)10-8-15)6-11-19(25)22-18-5-3-2-4-17(18)20(26)27/h2-5,7-10,12,24H,6,11H2,1H3,(H,22,25)(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	93	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]niacin from GRP109A receptor in presence of 4% human serum				Bioorg Med Chem Lett 20: 3372-5 (2010) Article DOI: 10.1016/j.bmcl.2010.04.013 BindingDB Entry DOI: 10.7270/Q2C24WM2
					More data for this Ligand-Target Pair
Hydroxycarboxylic acid receptor 2 (Homo sapiens (Human))	BDBM23532 (2-{3-[1-(5-hydroxypyridin-2-yl)-1H-pyrazol-3-yl]pr...) Show SMILES OC(=O)c1ccccc1NC(=O)CCc1ccn(n1)-c1ccc(O)cn1 Show InChI InChI=1S/C18H16N4O4/c23-13-6-7-16(19-11-13)22-10-9-12(21-22)5-8-17(24)20-15-4-2-1-3-14(15)18(25)26/h1-4,6-7,9-11,23H,5,8H2,(H,20,24)(H,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]niacin from GRP109A receptor in presence of 4% human serum				Bioorg Med Chem Lett 20: 3372-5 (2010) Article DOI: 10.1016/j.bmcl.2010.04.013 BindingDB Entry DOI: 10.7270/Q2C24WM2
					More data for this Ligand-Target Pair

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