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BDBM50051898 1-{4-[2-(4,5-Diphenyl-1H-imidazol-2-yl)-5-methyl-[1,3]dioxan-5-yl]-butyl}-4-thiazol-2-yl-piperazine::CHEMBL34219

SMILES: CC1(CCCCN2CCN(CC2)c2nccs2)COC(OC1)c1nc(c([nH]1)-c1ccccc1)-c1ccccc1

InChI Key: InChIKey=QTIJGSLZGXNTKG-UHFFFAOYSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50051898   
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
Acyl Cholesterol Acyltransferase 1 (ACAT-1)


(Homo sapiens (human))
BDBM50051898
PNG
(1-{4-[2-(4,5-Diphenyl-1H-imidazol-2-yl)-5-methyl-[...)
Show SMILES CC1(CCCCN2CCN(CC2)c2nccs2)COC(OC1)c1nc(c([nH]1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C31H37N5O2S/c1-31(14-8-9-16-35-17-19-36(20-18-35)30-32-15-21-39-30)22-37-29(38-23-31)28-33-26(24-10-4-2-5-11-24)27(34-28)25-12-6-3-7-13-25/h2-7,10-13,15,21,29H,8-9,14,16-20,22-23H2,1H3,(H,33,34)
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 50n/an/an/an/an/an/a



Rhône-Poulenc Rorer

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound was evaluated as concentration required to inhibit 50% of the Acyl coenzyme A:cholesterol acyltransferase 1 ...


J Med Chem 39: 1423-32 (1996)


Article DOI: 10.1021/jm9505876
BindingDB Entry DOI: 10.7270/Q2TB160C
More data for this
Ligand-Target Pair