BDBM50098066 1-(3-Cyano-4-hydroxy-phenyl)-1H-pyrazole-4-carboxylic acid::CHEMBL172682

SMILES: OC(=O)c1cnn(c1)-c1ccc(O)c(c1)C#N

InChI Key: InChIKey=KWWAVZYQYBZPOO-UHFFFAOYSA-N

Data: 2 IC50

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 2 hits for monomerid = 50098066   

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
Xanthine dehydrogenase (Bos taurus (Bovine))	BDBM50098066 (1-(3-Cyano-4-hydroxy-phenyl)-1H-pyrazole-4-carboxy...) Show SMILES OC(=O)c1cnn(c1)-c1ccc(O)c(c1)C#N Show InChI InChI=1S/C11H7N3O3/c12-4-7-3-9(1-2-10(7)15)14-6-8(5-13-14)11(16)17/h1-3,5-6,15H,(H,16,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
South China University of Technology Curated by ChEMBL					Assay Description Inhibition of bovine milk xanthine oxidoreductase pre-incubated for 3 mins followed xanthine substrate addition and measured every 1 mins for 10 mins...				Eur J Med Chem 140: 20-30 (2017) Article DOI: 10.1016/j.ejmech.2017.08.047 BindingDB Entry DOI: 10.7270/Q2474DFK
					More data for this Ligand-Target Pair
Xanthine dehydrogenase (Bos taurus (Bovine))	BDBM50098066 (1-(3-Cyano-4-hydroxy-phenyl)-1H-pyrazole-4-carboxy...) Show SMILES OC(=O)c1cnn(c1)-c1ccc(O)c(c1)C#N Show InChI InChI=1S/C11H7N3O3/c12-4-7-3-9(1-2-10(7)15)14-6-8(5-13-14)11(16)17/h1-3,5-6,15H,(H,16,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Welfide Corporation Curated by ChEMBL					Assay Description In vitro inhibitory concentration against Xanthine oxidase				Bioorg Med Chem Lett 11: 879-82 (2001) BindingDB Entry DOI: 10.7270/Q2251HFC
					More data for this Ligand-Target Pair