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SMILES: CC(C)c1cc(c(-c2ccc(F)cc2)n1\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)-c1ccccn1

InChI Key: InChIKey=SWMDOQTXCVNFGS-FRBHRHKVSA-M

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50160787   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Homo sapiens (Human))		BDBM50160787
PNG
((E)-(3R,5S)-7-[2-(4-Fluoro-phenyl)-5-isopropyl-3-p...)
Show SMILES CC(C)c1cc(c(-c2ccc(F)cc2)n1\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)-c1ccccn1
Show InChI InChI=1S/C25H27FN2O4/c1-16(2)23-15-21(22-5-3-4-11-27-22)25(17-6-8-18(26)9-7-17)28(23)12-10-19(29)13-20(30)14-24(31)32/h3-12,15-16,19-20,29-30H,13-14H2,1-2H3,(H,31,32)/p-1/b12-10+/t19-,20-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 8.70n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL


Assay Description
Inhibitory concentration against 3-hydroxy-3-methylglutaryl-CoA reductase

Bioorg Med Chem Lett 15: 1027-32 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.042
BindingDB Entry DOI: 10.7270/Q2TB17N9
More data for this
Ligand-Target Pair