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BDBM50051891 1-{4-[2-(4,5-Diphenyl-1H-imidazol-2-yl)-5-methyl-[1,3]dioxan-5-yl]-butyl}-4-phenyl-piperazine::CHEMBL33229

SMILES: CC1(CCCCN2CCN(CC2)c2ccccc2)COC(OC1)c1nc(c([nH]1)-c1ccccc1)-c1ccccc1

InChI Key: InChIKey=RMZQGAZJVLSOER-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50051891   
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))		BDBM50051891
PNG
(1-{4-[2-(4,5-Diphenyl-1H-imidazol-2-yl)-5-methyl-[...)
Show SMILES CC1(CCCCN2CCN(CC2)c2ccccc2)COC(OC1)c1nc(c([nH]1)-c1ccccc1)-c1ccccc1 |(10.62,-13.02,;9.29,-12.25,;10.04,-10.9,;8.94,-9.81,;9.71,-8.48,;8.61,-7.37,;8.99,-5.88,;10.48,-5.51,;10.92,-4.04,;9.85,-2.92,;8.36,-3.3,;7.92,-4.77,;10.27,-1.45,;11.77,-1.08,;12.21,.4,;11.14,1.51,;9.64,1.14,;9.22,-.33,;8.01,-12.67,;6.38,-12.05,;5.62,-13.4,;6.8,-12.98,;8.52,-13.59,;4.28,-12.63,;3.86,-11.14,;2.33,-11.07,;1.78,-12.51,;2.99,-13.47,;.29,-12.91,;-.79,-11.81,;-2.28,-12.23,;-2.68,-13.72,;-1.58,-14.8,;-.09,-14.4,;1.48,-9.78,;2.18,-8.4,;1.34,-7.12,;-.2,-7.19,;-.89,-8.57,;-.05,-9.85,)|
Show InChI InChI=1S/C34H40N4O2/c1-34(19-11-12-20-37-21-23-38(24-22-37)29-17-9-4-10-18-29)25-39-33(40-26-34)32-35-30(27-13-5-2-6-14-27)31(36-32)28-15-7-3-8-16-28/h2-10,13-18,33H,11-12,19-26H2,1H3,(H,35,36)
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Article
PubMed
n/an/a 70n/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 activity of human Acyl coenzyme A:cholesterol ...

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