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BDBM50466746 CHEMBL4279691

SMILES: CC(C)c1cccc(C(C)C)c1NC(=O)CN1CCCN(CCCSc2nc3ccccc3o2)CC1

InChI Key: InChIKey=DVOPSFWSHOUZHK-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50466746   
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))		BDBM50466746
PNG
(CHEMBL4279691)
Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)CN1CCCN(CCCSc2nc3ccccc3o2)CC1
Show InChI InChI=1S/C29H40N4O2S/c1-21(2)23-10-7-11-24(22(3)4)28(23)31-27(34)20-33-15-8-14-32(17-18-33)16-9-19-36-29-30-25-12-5-6-13-26(25)35-29/h5-7,10-13,21-22H,8-9,14-20H2,1-4H3,(H,31,34)
PDB

KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 430n/an/an/an/an/an/a



Kowa Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of ACAT in human J774A.1 cells assessed as reduction in esterified-cholesterol accumulation after 18 hrs in presence of 25-hydroxycholeste...

J Med Chem 61: 10635-10650 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01256
BindingDB Entry DOI: 10.7270/Q2J38W80
More data for this
Ligand-Target Pair