BDBM50406579 CHEMBL97121

SMILES: CC(C)c1nc-2c(CCCc3ccccc-23)c(c1COP([O-])(=O)C[C@H](O)CC([O-])=O)-c1ccc(F)cc1

InChI Key: InChIKey=MZCZXPHMOGJQBJ-OAQYLSRUSA-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 = 50406579   

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))	BDBM50406579 (CHEMBL97121) Show SMILES CC(C)c1nc-2c(CCCc3ccccc-23)c(c1COP([O-])(=O)C[C@H](O)CC([O-])=O)-c1ccc(F)cc1 Show InChI InChI=1S/C28H31FNO6P/c1-17(2)27-24(15-36-37(34,35)16-21(31)14-25(32)33)26(19-10-12-20(29)13-11-19)23-9-5-7-18-6-3-4-8-22(18)28(23)30-27/h3-4,6,8,10-13,17,21,31H,5,7,9,14-16H2,1-2H3,(H,32,33)(H,34,35)/p-2/t21-/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	1.20	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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