BDBM23526 2-{3-[1-(4-hydroxyphenyl)-5-methyl-1H-pyrazol-4-yl]propanamido}benzoic acid::Biaryl Anthranilide Analogue, 2h::CHEMBL236163

SMILES: Cc1c(CCC(=O)Nc2ccccc2C(O)=O)cnn1-c1ccc(O)cc1

InChI Key: InChIKey=JKDSYBSOELYDQY-UHFFFAOYSA-N

Data: 6 IC50  2 EC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 23526   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	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)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	n/a	93	n/a	n/a	7.4	23
Merck Research Laboratories					Assay Description Membranes were incubated in binding buffer with [5, 6-3H]-niacin in the presence of test compound. After 4 hours at room temperature, reactions were ...				J Med Chem 50: 6303-6 (2007) Article DOI: 10.1021/jm700942d BindingDB Entry DOI: 10.7270/Q29S1PBG
					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	2.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of CYP2C8 (unknown origin)				Bioorg Med Chem Lett 18: 3163-7 (2008) Article DOI: 10.1016/j.bmcl.2008.04.071 BindingDB Entry DOI: 10.7270/Q2FJ2GJW
					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 UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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 (unknown origin)				Bioorg Med Chem Lett 18: 3163-7 (2008) Article DOI: 10.1016/j.bmcl.2008.04.071 BindingDB Entry DOI: 10.7270/Q2FJ2GJW
					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)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL 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
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
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)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL 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
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 UniProtKB/TrEMBL 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