BDBM50098065 1-(3-Cyano-4-isobutoxy-phenyl)-1H-pyrazole-4-carboxylic acid::CHEMBL170303

SMILES: CC(C)COc1ccc(cc1C#N)-n1cc(cn1)C(O)=O

InChI Key: InChIKey=ARVOJZNLBNQCMK-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 = 50098065   

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))	BDBM50098065 (1-(3-Cyano-4-isobutoxy-phenyl)-1H-pyrazole-4-carbo...) Show SMILES CC(C)COc1ccc(cc1C#N)-n1cc(cn1)C(O)=O Show InChI InChI=1S/C15H15N3O3/c1-10(2)9-21-14-4-3-13(5-11(14)6-16)18-8-12(7-17-18)15(19)20/h3-5,7-8,10H,9H2,1-2H3,(H,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.10	n/a	n/a	n/a	n/a	n/a	n/a
Department of Chemistry, Faculty of Medicine, University of Ni?, Bulevar Dr Zorana?in?i?a 81, 18000 Ni?, Serbia. Curated by ChEMBL					Assay Description Inhibition of bovine milk xanthine-oxygen reductase using xanthine as substrate by spectrophotometric assay				Eur J Med Chem 135: 491-516 (2017) Article DOI: 10.1016/j.ejmech.2017.04.031 BindingDB Entry DOI: 10.7270/Q2VD71XP
					More data for this Ligand-Target Pair
Xanthine dehydrogenase (Bos taurus (Bovine))	BDBM50098065 (1-(3-Cyano-4-isobutoxy-phenyl)-1H-pyrazole-4-carbo...) Show SMILES CC(C)COc1ccc(cc1C#N)-n1cc(cn1)C(O)=O Show InChI InChI=1S/C15H15N3O3/c1-10(2)9-21-14-4-3-13(5-11(14)6-16)18-8-12(7-17-18)15(19)20/h3-5,7-8,10H,9H2,1-2H3,(H,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	7.10	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