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BDBM50047529 1-{2-Dimethylamino-6-[3-(5-methyl-4-phenyl-imidazol-1-yl)-propylsulfanyl]-phenyl}-3-pentyl-urea::CHEMBL42045

SMILES: CCCCCNC(=O)Nc1c(SCCCn2cnc(c2C)-c2ccccc2)cccc1N(C)C

InChI Key: InChIKey=QNPISZGNCXWJBI-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50047529   
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)
BDBM50047529
PNG
(1-{2-Dimethylamino-6-[3-(5-methyl-4-phenyl-imidazo...)
Show SMILES CCCCCNC(=O)Nc1c(SCCCn2cnc(c2C)-c2ccccc2)cccc1N(C)C
Show InChI InChI=1S/C27H37N5OS/c1-5-6-10-17-28-27(33)30-26-23(31(3)4)15-11-16-24(26)34-19-12-18-32-20-29-25(21(32)2)22-13-8-7-9-14-22/h7-9,11,13-16,20H,5-6,10,12,17-19H2,1-4H3,(H2,28,30,33)
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 56n/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)


Article DOI: 10.1021/jm00063a013
BindingDB Entry DOI: 10.7270/Q22B8X4P
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50047529
PNG
(1-{2-Dimethylamino-6-[3-(5-methyl-4-phenyl-imidazo...)
Show SMILES CCCCCNC(=O)Nc1c(SCCCn2cnc(c2C)-c2ccccc2)cccc1N(C)C
Show InChI InChI=1S/C27H37N5OS/c1-5-6-10-17-28-27(33)30-26-23(31(3)4)15-11-16-24(26)34-19-12-18-32-20-29-25(21(32)2)22-13-8-7-9-14-22/h7-9,11,13-16,20H,5-6,10,12,17-19H2,1-4H3,(H2,28,30,33)
PDB

Reactome pathway
KEGG

UniProtKB/TrEMBL

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 58n/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)


Article DOI: 10.1021/jm00063a013
BindingDB Entry DOI: 10.7270/Q22B8X4P
More data for this
Ligand-Target Pair