BDBM50406600 CHEMBL94961

SMILES: CC(C)c1nc(c(C)c(-c2ccc(F)cc2)c1CCP(O)([O-])=CC(=O)CC([O-])=O)-c1ccccc1

InChI Key: InChIKey=RRBFFORISYKOLZ-UHFFFAOYSA-L

Data: 1 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 1 hit for monomerid = 50406600   

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
HMG-CoA reductase (Rattus norvegicus (rat))	BDBM50406600 (CHEMBL94961) Show SMILES CC(C)c1nc(c(C)c(-c2ccc(F)cc2)c1CCP(O)([O-])=CC(=O)CC([O-])=O)-c1ccccc1 Show InChI InChI=1S/C27H29FNO5P/c1-17(2)26-23(13-14-35(33,34)16-22(30)15-24(31)32)25(19-9-11-21(28)12-10-19)18(3)27(29-26)20-7-5-4-6-8-20/h4-12,16-17H,13-15H2,1-3H3,(H3,30,31,32,33,34)/p-2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro for inhibition of rat HMG-CoA reductase.				J Med Chem 34: 2804-15 (1991) BindingDB Entry DOI: 10.7270/Q2H1336P
					More data for this Ligand-Target Pair