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SMILES: CC1(CCCCN2CCN(CC2)c2ncccn2)COC(OC1)c1nc(c([nH]1)-c1ccccc1)-c1ccccc1

InChI Key: InChIKey=NIMMGASBUOUVQE-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50051908   
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))		BDBM50051908
PNG
(2-(4-{4-[2-(4,5-Diphenyl-1H-imidazol-2-yl)-5-methy...)
Show SMILES CC1(CCCCN2CCN(CC2)c2ncccn2)COC(OC1)c1nc(c([nH]1)-c1ccccc1)-c1ccccc1 |(14.14,-13.82,;12.81,-13.05,;13.21,-11.57,;12.13,-10.48,;12.54,-8.99,;11.46,-7.89,;11.88,-6.4,;13.35,-6.03,;13.77,-4.55,;12.7,-3.44,;11.21,-3.83,;10.79,-5.32,;13.12,-1.96,;12.04,-.89,;12.42,.6,;13.91,1.02,;14.99,-.05,;14.61,-1.55,;11.53,-13.47,;9.9,-12.86,;9.15,-14.21,;10.32,-13.79,;12.05,-14.4,;7.8,-13.42,;7.4,-11.93,;5.86,-11.86,;5.3,-13.31,;6.51,-14.28,;3.81,-13.7,;3.43,-15.2,;1.94,-15.59,;.85,-14.52,;1.24,-13.03,;2.73,-12.62,;5,-10.58,;5.7,-9.2,;4.86,-7.92,;3.32,-7.99,;2.64,-9.38,;3.48,-10.66,)|
Show InChI InChI=1S/C32H38N6O2/c1-32(15-8-9-18-37-19-21-38(22-20-37)31-33-16-10-17-34-31)23-39-30(40-24-32)29-35-27(25-11-4-2-5-12-25)28(36-29)26-13-6-3-7-14-26/h2-7,10-14,16-17,30H,8-9,15,18-24H2,1H3,(H,35,36)
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Article
PubMed
n/an/a 75n/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