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BDBM50047528 1-[2-(3-Benzoimidazol-1-yl-propoxy)-6-dimethylamino-phenyl]-3-pentyl-urea::CHEMBL40516

SMILES: CCCCCNC(=O)Nc1c(OCCCn2cnc3ccccc23)cccc1N(C)C

InChI Key: InChIKey=AFXKWXLBLYFGRF-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50047528   
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-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50047528
PNG
(1-[2-(3-Benzoimidazol-1-yl-propoxy)-6-dimethylamin...)
Show SMILES CCCCCNC(=O)Nc1c(OCCCn2cnc3ccccc23)cccc1N(C)C
Show InChI InChI=1S/C24H33N5O2/c1-4-5-8-15-25-24(30)27-23-21(28(2)3)13-9-14-22(23)31-17-10-16-29-18-26-19-11-6-7-12-20(19)29/h6-7,9,11-14,18H,4-5,8,10,15-17H2,1-3H3,(H2,25,27,30)
PDB

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UniProtKB/TrEMBL

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CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 180n/an/an/an/an/an/a



Eisai Company, Ltd.

Curated by ChEMBL


Assay Description
Tested for inhibition against acyl coenzyme A:cholesterol acyltransferase from rabbit intestine microsomes.


J Med Chem 36: 1630-40 (1993)


BindingDB Entry DOI: 10.7270/Q22B8X4P
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50047528
PNG
(1-[2-(3-Benzoimidazol-1-yl-propoxy)-6-dimethylamin...)
Show SMILES CCCCCNC(=O)Nc1c(OCCCn2cnc3ccccc23)cccc1N(C)C
Show InChI InChI=1S/C24H33N5O2/c1-4-5-8-15-25-24(30)27-23-21(28(2)3)13-9-14-22(23)31-17-10-16-29-18-26-19-11-6-7-12-20(19)29/h6-7,9,11-14,18H,4-5,8,10,15-17H2,1-3H3,(H2,25,27,30)
PDB

Reactome pathway
KEGG

UniProtKB/TrEMBL

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 620n/an/an/an/an/an/a



Eisai Company, Ltd.

Curated by ChEMBL


Assay Description
Tested for inhibition against acyl coenzyme A:cholesterol acyltransferase from rabbit aorta homogenate.


J Med Chem 36: 1630-40 (1993)


BindingDB Entry DOI: 10.7270/Q22B8X4P
More data for this
Ligand-Target Pair