BindingDB logo
myBDB logout

BDBM50143817 CHEMBL3758618

SMILES: CC(C)C[C@H](OC(=O)C(C)(C)C)C(=O)NC1(CCCC1)C(=O)N[C@@H](CCc1ccccc1)C(=O)OC(C)(C)C

InChI Key: InChIKey=DTAABNYDKJLOPO-ZEQRLZLVSA-N

Data: 1 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 1 hit for monomerid = 50143817   
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
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))		BDBM50143817
PNG
(CHEMBL3758618)
Show SMILES CC(C)C[C@H](OC(=O)C(C)(C)C)C(=O)NC1(CCCC1)C(=O)N[C@@H](CCc1ccccc1)C(=O)OC(C)(C)C |r|
Show InChI InChI=1S/C31H48N2O6/c1-21(2)20-24(38-28(37)29(3,4)5)25(34)33-31(18-12-13-19-31)27(36)32-23(26(35)39-30(6,7)8)17-16-22-14-10-9-11-15-22/h9-11,14-15,21,23-24H,12-13,16-20H2,1-8H3,(H,32,36)(H,33,34)/t23-,24-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 7n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant 6His-tagged DAGT1 expressed in fall armyworm Sf9 cells using diolein and oleoyl-CoA incubated for 30 mins by LC/MS/MS...

Bioorg Med Chem Lett 26: 1245-8 (2016)


BindingDB Entry DOI: 10.7270/Q2N29ZSH
More data for this
Ligand-Target Pair