BindingDB logo
myBDB logout

BDBM50050356 2,2-Dimethyl-dodecanoic acid (5-dimethylamino-2,2,4,6-tetramethyl-2,3-dihydro-benzofuran-7-yl)-amide::CHEMBL23602

SMILES: CCCCCCCCCCC(C)(C)C(=O)Nc1c2OC(C)(C)Cc2c(C)c(N(C)C)c1C

InChI Key: InChIKey=QQVVVKMUKKGGQC-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50050356   
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, Soat


(Rattus norvegicus)
BDBM50050356
PNG
(2,2-Dimethyl-dodecanoic acid (5-dimethylamino-2,2,...)
Show SMILES CCCCCCCCCCC(C)(C)C(=O)Nc1c2OC(C)(C)Cc2c(C)c(N(C)C)c1C
Show InChI InChI=1S/C28H48N2O2/c1-10-11-12-13-14-15-16-17-18-27(4,5)26(31)29-23-21(3)24(30(8)9)20(2)22-19-28(6,7)32-25(22)23/h10-19H2,1-9H3,(H,29,31)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 9n/an/an/an/an/an/a



Institute for Bio-Medical Research

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against Acyl coenzyme A:cholesterol acyltransferase 1 obtained from rat liver microsomes


J Med Chem 39: 1262-70 (1996)


Article DOI: 10.1021/jm950828+
BindingDB Entry DOI: 10.7270/Q24T6HGW
More data for this
Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase


(Oryctolagus cuniculus)
BDBM50050356
PNG
(2,2-Dimethyl-dodecanoic acid (5-dimethylamino-2,2,...)
Show SMILES CCCCCCCCCCC(C)(C)C(=O)Nc1c2OC(C)(C)Cc2c(C)c(N(C)C)c1C
Show InChI InChI=1S/C28H48N2O2/c1-10-11-12-13-14-15-16-17-18-27(4,5)26(31)29-23-21(3)24(30(8)9)20(2)22-19-28(6,7)32-25(22)23/h10-19H2,1-9H3,(H,29,31)
Reactome pathway
KEGG

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 20n/an/an/an/an/an/a



Institute for Bio-Medical Research

Curated by ChEMBL


Assay Description
Inhibitory activity against Acyl coenzyme A:cholesterol acyltransferase 1 obtained from rabbit intestine microsomes


J Med Chem 39: 1262-70 (1996)


Article DOI: 10.1021/jm950828+
BindingDB Entry DOI: 10.7270/Q24T6HGW
More data for this
Ligand-Target Pair