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BDBM50204548 CHEMBL3932453

SMILES: CCC[C@@H]1C[C@H](C[C@@]2(O1)C(=O)N(C)c1cccc(Br)c21)NCc1ccccc1

InChI Key: InChIKey=AQUXMTHQBTYXOM-PNCHPQGNSA-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 = 50204548   
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 2


(Chlorocebus aethiops)
BDBM50204548
PNG
(CHEMBL3932453)
Show SMILES CCC[C@@H]1C[C@H](C[C@@]2(O1)C(=O)N(C)c1cccc(Br)c21)NCc1ccccc1 |r|
Show InChI InChI=1S/C23H27BrN2O2/c1-3-8-18-13-17(25-15-16-9-5-4-6-10-16)14-23(28-18)21-19(24)11-7-12-20(21)26(2)22(23)27/h4-7,9-12,17-18,25H,3,8,13-15H2,1-2H3/t17-,18-,23+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>3.30E+4n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of African green monkey SOAT2 expressed in CHO cells assessed as reduction in [14C]cholesteryl ester formation from [1-14C]oleic acid meas...


Bioorg Med Chem Lett 26: 5899-5901 (2016)


Article DOI: 10.1016/j.bmcl.2016.11.008
BindingDB Entry DOI: 10.7270/Q2D220KD
More data for this
Ligand-Target Pair
Sterol O-acyltransferase 1


(Chlorocebus aethiops)
BDBM50204548
PNG
(CHEMBL3932453)
Show SMILES CCC[C@@H]1C[C@H](C[C@@]2(O1)C(=O)N(C)c1cccc(Br)c21)NCc1ccccc1 |r|
Show InChI InChI=1S/C23H27BrN2O2/c1-3-8-18-13-17(25-15-16-9-5-4-6-10-16)14-23(28-18)21-19(24)11-7-12-20(21)26(2)22(23)27/h4-7,9-12,17-18,25H,3,8,13-15H2,1-2H3/t17-,18-,23+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>2.20E+4n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of African green monkey SOAT1 expressed in CHO cells assessed as reduction in [14C]cholesteryl ester formation from [1-14C]oleic acid meas...


Bioorg Med Chem Lett 26: 5899-5901 (2016)


Article DOI: 10.1016/j.bmcl.2016.11.008
BindingDB Entry DOI: 10.7270/Q2D220KD
More data for this
Ligand-Target Pair