BindingDB logo
myBDB logout

null

SMILES: CCC(CC)(c1ccc(\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)c(c1)C(C)C)c1ccccc1F

InChI Key: InChIKey=XGHUUHXYQJHQGG-CUHRTYRFSA-M

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 = 50296075   
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


(Rattus norvegicus (rat))		BDBM50296075
PNG
(CHEMBL564931 | sodium(3R,5S,E)-7-(4-(3-(2-fluoroph...)
Show SMILES CCC(CC)(c1ccc(\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)c(c1)C(C)C)c1ccccc1F |r|
Show InChI InChI=1S/C27H35FO4/c1-5-27(6-2,24-9-7-8-10-25(24)28)20-13-11-19(23(15-20)18(3)4)12-14-21(29)16-22(30)17-26(31)32/h7-15,18,21-22,29-30H,5-6,16-17H2,1-4H3,(H,31,32)/p-1/b14-12+/t21-,22-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars
Article
PubMed
n/an/a 7.40E+3n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibition of rat HMG-CoA reductase using 0.37 MBq DL-[3-14C]HMG-CoA

Bioorg Med Chem Lett 19: 4228-31 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.100
BindingDB Entry DOI: 10.7270/Q22F7PCK
More data for this
Ligand-Target Pair