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BDBM50051890 2-{4-[2-(4,5-Diphenyl-1H-imidazol-2-yl)-5-methyl-[1,3]dioxan-5-yl]-butyl}-1,2,3,4-tetrahydro-isoquinoline::CHEMBL33054

SMILES: CC1(CCCCN2CCc3ccccc3C2)COC(OC1)c1nc(c([nH]1)-c1ccccc1)-c1ccccc1

InChI Key: InChIKey=LSAGISHFMIGCGN-UHFFFAOYSA-N

Data: 1 IC50

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50051890   
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))
BDBM50051890
PNG
(2-{4-[2-(4,5-Diphenyl-1H-imidazol-2-yl)-5-methyl-[...)
Show SMILES CC1(CCCCN2CCc3ccccc3C2)COC(OC1)c1nc(c([nH]1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C33H37N3O2/c1-33(19-10-11-20-36-21-18-25-12-8-9-17-28(25)22-36)23-37-32(38-24-33)31-34-29(26-13-4-2-5-14-26)30(35-31)27-15-6-3-7-16-27/h2-9,12-17,32H,10-11,18-24H2,1H3,(H,34,35)
KEGG

UniProtKB/SwissProt

DrugBank
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 60n/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