BDBM50406593 CHEMBL329478

SMILES: CC(C)c1nc(cc(-c2ccc(F)cc2)c1COP([O-])(=O)C[C@H](O)CC([O-])=O)C(C)(C)C

InChI Key: InChIKey=HJIFTSXYTJEVAA-QGZVFWFLSA-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 = 50406593   

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))	BDBM50406593 (CHEMBL329478) Show SMILES CC(C)c1nc(cc(-c2ccc(F)cc2)c1COP([O-])(=O)C[C@H](O)CC([O-])=O)C(C)(C)C Show InChI InChI=1S/C23H31FNO6P/c1-14(2)22-19(12-31-32(29,30)13-17(26)10-21(27)28)18(11-20(25-22)23(3,4)5)15-6-8-16(24)9-7-15/h6-9,11,14,17,26H,10,12-13H2,1-5H3,(H,27,28)(H,29,30)/p-2/t17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description The compound was tested in vitro for inhibition of rat hepatic HMG-CoA reductase.				J Med Chem 34: 2804-15 (1991) BindingDB Entry DOI: 10.7270/Q2H1336P
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