BDBM50215666 (3R,5R)-7-(3,4-bis(4-fluorophenyl)-1-isopropyl-5-(phenylcarbamoyl)-1H-pyrrol-2-yl)-3,5-dihydroxyheptanoic acid::(3R,5R)-7-[5-(ANILINOCARBONYL)-3,4-BIS(4-FLUOROPHENYL)-1-ISOPROPYL-1H-PYRROL-2-YL]-3,5-DIHYDROXYHEPTANOIC ACID::CHEMBL389002

SMILES: CC(C)n1c(CC[C@@H](O)C[C@@H](O)CC(O)=O)c(c(c1C(=O)Nc1ccccc1)-c1ccc(F)cc1)-c1ccc(F)cc1

InChI Key: InChIKey=VZMMUQFHUUOVEM-KAYWLYCHSA-N

Data: 1 IC50

PDB links: 2 PDB IDs match this monomer.

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 = 50215666   

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))	BDBM50215666 ((3R,5R)-7-(3,4-bis(4-fluorophenyl)-1-isopropyl-5-(...) Show SMILES CC(C)n1c(CC[C@@H](O)C[C@@H](O)CC(O)=O)c(c(c1C(=O)Nc1ccccc1)-c1ccc(F)cc1)-c1ccc(F)cc1 Show InChI InChI=1S/C33H34F2N2O5/c1-20(2)37-28(17-16-26(38)18-27(39)19-29(40)41)30(21-8-12-23(34)13-9-21)31(22-10-14-24(35)15-11-22)32(37)33(42)36-25-6-4-3-5-7-25/h3-15,20,26-27,38-39H,16-19H2,1-2H3,(H,36,42)(H,40,41)/t26-,27-/m1/s1	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar	CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc 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				3D Structure (crystal)