BDBM20694 pyrazole-based inhibitor, 37::sodium (3R,5R)-7-(3-{[(3-cyanophenyl)methyl]carbamoyl}-1-(4-fluorophenyl)-4-(propan-2-yl)-1H-pyrazol-5-yl)-3,5-dihydroxyheptanoate

SMILES: CC(C)c1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)n(nc1C(=O)NCc1cccc(c1)C#N)-c1ccc(F)cc1

InChI Key: InChIKey=YJOXUBMEMQKAPY-DHIUTWEWSA-M

Data: 1 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 1 hit for monomerid = 20694   

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
3-hydroxy-3-methylglutaryl-coenzyme A reductase (Rattus norvegicus (rat))	BDBM20694 (pyrazole-based inhibitor, 37 | sodium (3R,5R)-7-(3...) Show SMILES CC(C)c1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)n(nc1C(=O)NCc1cccc(c1)C#N)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C28H31FN4O5/c1-17(2)26-24(11-10-22(34)13-23(35)14-25(36)37)33(21-8-6-20(29)7-9-21)32-27(26)28(38)31-16-19-5-3-4-18(12-19)15-30/h3-9,12,17,22-23,34-35H,10-11,13-14,16H2,1-2H3,(H,31,38)(H,36,37)/p-1/t22-,23-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20	n/a	1.40	n/a	n/a	7.2	37
Pfizer					Assay Description Enzyme Assay for HMG-CoA reductase was based on the conversion of isotopically labeled HMG-CoA to mevalonic acid using rat liver microsomes as enzyme...				J Med Chem 51: 31-45 (2008) Article DOI: 10.1021/jm070849r BindingDB Entry DOI: 10.7270/Q2VD6WRD
					More data for this Ligand-Target Pair