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BDBM50047513 1-[2-(3-Benzotriazol-2-yl-propoxy)-6-dimethylamino-phenyl]-3-pentyl-urea::CHEMBL44471

SMILES: CCCCCNC(=O)Nc1c(OCCCn2nc3ccccc3n2)cccc1N(C)C

InChI Key: InChIKey=VLKPZPIMEYVDQR-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50047513   
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)
BDBM50047513
PNG
(1-[2-(3-Benzotriazol-2-yl-propoxy)-6-dimethylamino...)
Show SMILES CCCCCNC(=O)Nc1c(OCCCn2nc3ccccc3n2)cccc1N(C)C
Show InChI InChI=1S/C23H32N6O2/c1-4-5-8-15-24-23(30)25-22-20(28(2)3)13-9-14-21(22)31-17-10-16-29-26-18-11-6-7-12-19(18)27-29/h6-7,9,11-14H,4-5,8,10,15-17H2,1-3H3,(H2,24,25,30)
PDB

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UniProtKB/TrEMBL

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 770n/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)
BDBM50047513
PNG
(1-[2-(3-Benzotriazol-2-yl-propoxy)-6-dimethylamino...)
Show SMILES CCCCCNC(=O)Nc1c(OCCCn2nc3ccccc3n2)cccc1N(C)C
Show InChI InChI=1S/C23H32N6O2/c1-4-5-8-15-24-23(30)25-22-20(28(2)3)13-9-14-21(22)31-17-10-16-29-26-18-11-6-7-12-19(18)27-29/h6-7,9,11-14H,4-5,8,10,15-17H2,1-3H3,(H2,24,25,30)
PDB

Reactome pathway
KEGG

UniProtKB/TrEMBL

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 290n/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