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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA)' and Ligand = 'BDBM50007264'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA)


(Homo sapiens (Human))
BDBM50007264
PNG
(CHEMBL99838 | Sodium; 6-(5-cyclohexylmethyl-3-isop...)
Show SMILES CC(C)c1cc(cc(CC2CCCCC2)c1OCC(O)C[C@@H](O)CC([O-])=O)-c1ccccc1
Show InChI InChI=1S/C28H38O5/c1-19(2)26-15-22(21-11-7-4-8-12-21)14-23(13-20-9-5-3-6-10-20)28(26)33-18-25(30)16-24(29)17-27(31)32/h4,7-8,11-12,14-15,19-20,24-25,29-30H,3,5-6,9-10,13,16-18H2,1-2H3,(H,31,32)/p-1/t24-,25?/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 100n/an/an/an/an/an/a



Hoechst AG

Curated by ChEMBL


Assay Description
Inhibition of the incorporation of sodium [14C]acetate into cholesterol in HEP G2 cells.


J Med Chem 34: 2962-83 (1991)


Article DOI: 10.1021/jm00114a004
BindingDB Entry DOI: 10.7270/Q2C829WX
More data for this
Ligand-Target Pair