BindingDB logo
myBDB logout

BDBM50499296 CHEMBL3736151

SMILES: COc1cccc(c1)-c1ccc(CNC(=O)[C@@H]2C[C@H]2c2ccccc2)c2ccncc12

InChI Key: InChIKey=MTCTXNJUDDUWQQ-LOSJGSFVSA-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 = 50499296   
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
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase


(Homo sapiens (Human))
BDBM50499296
PNG
(CHEMBL3736151)
Show SMILES COc1cccc(c1)-c1ccc(CNC(=O)[C@@H]2C[C@H]2c2ccccc2)c2ccncc12 |r|
Show InChI InChI=1S/C27H24N2O2/c1-31-21-9-5-8-19(14-21)22-11-10-20(23-12-13-28-17-26(22)23)16-29-27(30)25-15-24(25)18-6-3-2-4-7-18/h2-14,17,24-25H,15-16H2,1H3,(H,29,30)/t24-,25+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.90E+3n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of MGAT2 (unknown origin) by CPM assay


J Med Chem 58: 9345-53 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01345
BindingDB Entry DOI: 10.7270/Q28W3H9F
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 2


(Homo sapiens (Human))
BDBM50499296
PNG
(CHEMBL3736151)
Show SMILES COc1cccc(c1)-c1ccc(CNC(=O)[C@@H]2C[C@H]2c2ccccc2)c2ccncc12 |r|
Show InChI InChI=1S/C27H24N2O2/c1-31-21-9-5-8-19(14-21)22-11-10-20(23-12-13-28-17-26(22)23)16-29-27(30)25-15-24(25)18-6-3-2-4-7-18/h2-14,17,24-25H,15-16H2,1H3,(H,29,30)/t24-,25+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.60E+3n/an/an/an/an/an/a



Merck & Co., Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DGAT2 expressed in Sf9 cell membranes assessed as triolein formation by LC/MS/MS analysis using oleoyl-CoA as substrate


J Med Chem 58: 9345-53 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01345
BindingDB Entry DOI: 10.7270/Q28W3H9F
More data for this
Ligand-Target Pair