BDBM50319245 2-(3-(1-phenyl-1H-pyrazol-3-yl)propanamido)benzoicacid::CHEMBL1086567

SMILES: OC(=O)c1ccccc1NC(=O)CCc1ccn(n1)-c1ccccc1

InChI Key: InChIKey=JTPKNNPOAKKBFI-UHFFFAOYSA-N

Data: 3 IC50  1 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 4 hits for monomerid = 50319245   

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
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 UniProtKB/TrEMBL 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
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)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL 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))	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)	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL 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
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