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BDBM50051888 CHEMBL284378::{4-[2-(4,5-Diphenyl-1H-imidazol-2-yl)-5-methyl-[1,3]dioxan-5-yl]-butyl}-methyl-pyridin-2-yl-amine

SMILES: CN(CCCCC1(C)COC(OC1)c1nc(c([nH]1)-c1ccccc1)-c1ccccc1)c1ccccn1

InChI Key: InChIKey=OGZHCKXYCMLWJI-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50051888   
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
Sterol O-acyltransferase 1


(Homo sapiens (Human))		BDBM50051888
PNG
(CHEMBL284378 | {4-[2-(4,5-Diphenyl-1H-imidazol-2-y...)
Show SMILES CN(CCCCC1(C)COC(OC1)c1nc(c([nH]1)-c1ccccc1)-c1ccccc1)c1ccccn1 |(11.88,.67,;10.34,.67,;9.95,-.82,;10.74,-2.15,;9.97,-3.48,;10.69,-4.74,;9.55,-5.82,;10.65,-6.89,;8.8,-7.15,;7.08,-6.54,;5.89,-6.96,;6.66,-5.61,;8.29,-6.24,;4.56,-6.19,;4.14,-4.7,;2.62,-4.63,;2.06,-6.05,;3.27,-7.03,;.57,-6.47,;-.51,-5.37,;-2,-5.77,;-2.4,-7.26,;-1.3,-8.36,;.19,-7.94,;1.76,-3.32,;2.46,-1.94,;1.62,-.66,;.08,-.75,;-.6,-2.13,;.24,-3.41,;10.34,2.21,;8.99,2.98,;8.97,4.5,;10.3,5.29,;11.65,4.54,;11.67,3,)|
Show InChI InChI=1S/C30H34N4O2/c1-30(18-10-12-20-34(2)25-17-9-11-19-31-25)21-35-29(36-22-30)28-32-26(23-13-5-3-6-14-23)27(33-28)24-15-7-4-8-16-24/h3-9,11,13-17,19,29H,10,12,18,20-22H2,1-2H3,(H,32,33)
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Similars
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