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BDBM50450321 CHEMBL45915

SMILES: CCCCCCCN(CCCCCSC1N=C(c2ccccc2)c2ccccc2NC1=O)C(=O)NC(C)C

InChI Key: InChIKey=VXGGRKNGRAUXQF-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50450321   
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 coenzyme A:cholesterol acyltransferase 1


(Mus musculus)
BDBM50450321
PNG
(CHEMBL45915)
Show SMILES CCCCCCCN(CCCCCSC1N=C(c2ccccc2)c2ccccc2NC1=O)C(=O)NC(C)C
Show InChI InChI=1S/C31H44N4O2S/c1-4-5-6-7-14-21-35(31(37)32-24(2)3)22-15-9-16-23-38-30-29(36)33-27-20-13-12-19-26(27)28(34-30)25-17-10-8-11-18-25/h8,10-13,17-20,24,30H,4-7,9,14-16,21-23H2,1-3H3,(H,32,37)(H,33,36)
MMDB

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PC sid
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Similars

n/an/a 6.53E+3n/an/an/an/an/an/a



The DuPont Merck Pharmaceutical Company

Curated by ChEMBL


Assay Description
Inhibition of acyl coenzyme A:cholesterol acyltransferase (ACAT) in J774 Macrophage cell culture by using J774 assay.


Bioorg Med Chem Lett 5: 167-72 (1995)


BindingDB Entry DOI: 10.7270/Q2Z03833
More data for this
Ligand-Target Pair