BDBM50215675 CHEMBL389442::sodium (3R,5R)-7-(5-(2-fluorobenzyl)-1-(4-fluorophenyl)-3-isopropyl-4-oxo-4,5-dihydro-3H-pyrrolo[2,3-c]quinolin-2-yl)-3,5-dihydroxyheptanoate

SMILES: CC(C)n1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c(-c2ccc(F)cc2)c2c1c(=O)n(Cc1ccccc1F)c1ccccc21

InChI Key: InChIKey=DITCOKIQMYMFDR-JWQCQUIFSA-M

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 = 50215675   

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 (HMG-CoA) (Homo sapiens (Human))	BDBM50215675 (CHEMBL389442 | sodium (3R,5R)-7-(5-(2-fluorobenzyl...) Show SMILES CC(C)n1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c(-c2ccc(F)cc2)c2c1c(=O)n(Cc1ccccc1F)c1ccccc21 Show InChI InChI=1S/C34H34F2N2O5/c1-20(2)38-29(16-15-24(39)17-25(40)18-30(41)42)31(21-11-13-23(35)14-12-21)32-26-8-4-6-10-28(26)37(34(43)33(32)38)19-22-7-3-5-9-27(22)36/h3-14,20,24-25,39-40H,15-19H2,1-2H3,(H,41,42)/p-1/t24-,25-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research & Development Curated by ChEMBL					Assay Description Inhibition of HMGCoA reductase				Bioorg Med Chem Lett 17: 4531-7 (2007) Article DOI: 10.1016/j.bmcl.2007.05.097 BindingDB Entry DOI: 10.7270/Q2X929Z4
					More data for this Ligand-Target Pair