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BDBM50047505 1-{2-Dimethylamino-6-[4-(5-methyl-4-phenyl-imidazol-1-yl)-butyl]-phenyl}-3-pentyl-urea::CHEMBL43095

SMILES: CCCCCNC(=O)Nc1c(CCCCn2cnc(c2C)-c2ccccc2)cccc1N(C)C

InChI Key: InChIKey=FLASAYJQWIWHOK-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50047505   
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)
BDBM50047505
PNG
(1-{2-Dimethylamino-6-[4-(5-methyl-4-phenyl-imidazo...)
Show SMILES CCCCCNC(=O)Nc1c(CCCCn2cnc(c2C)-c2ccccc2)cccc1N(C)C
Show InChI InChI=1S/C28H39N5O/c1-5-6-11-19-29-28(34)31-27-24(17-13-18-25(27)32(3)4)16-10-12-20-33-21-30-26(22(33)2)23-14-8-7-9-15-23/h7-9,13-15,17-18,21H,5-6,10-12,16,19-20H2,1-4H3,(H2,29,31,34)
PDB

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KEGG

UniProtKB/TrEMBL

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 170n/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)
BDBM50047505
PNG
(1-{2-Dimethylamino-6-[4-(5-methyl-4-phenyl-imidazo...)
Show SMILES CCCCCNC(=O)Nc1c(CCCCn2cnc(c2C)-c2ccccc2)cccc1N(C)C
Show InChI InChI=1S/C28H39N5O/c1-5-6-11-19-29-28(34)31-27-24(17-13-18-25(27)32(3)4)16-10-12-20-33-21-30-26(22(33)2)23-14-8-7-9-15-23/h7-9,13-15,17-18,21H,5-6,10-12,16,19-20H2,1-4H3,(H2,29,31,34)
PDB

Reactome pathway
KEGG

UniProtKB/TrEMBL

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 140n/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