new BindingDB logo
myBDB logout

BDBM50399683 CHEMBL2178945

SMILES: Cc1nc(C)c(nc1C(N)=O)-c1ccc([C@@H]2CC[C@H](CC(O)=O)CC2)c(F)c1

InChI Key: InChIKey=VWXCBIYKAIQGAT-OKILXGFUSA-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 = 50399683   
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))
BDBM50399683
PNG
(CHEMBL2178945)
Show SMILES Cc1nc(C)c(nc1C(N)=O)-c1ccc([C@@H]2CC[C@H](CC(O)=O)CC2)c(F)c1 |r,wU:15.15,18.19,(58.03,-11.07,;59.36,-10.3,;60.7,-11.07,;62.03,-10.3,;63.37,-11.06,;62.03,-8.76,;60.7,-7.99,;59.36,-8.75,;58.03,-7.98,;56.69,-8.75,;58.03,-6.44,;63.36,-7.99,;63.36,-6.45,;64.69,-5.68,;66.03,-6.44,;67.36,-5.67,;68.7,-6.44,;70.02,-5.67,;70.02,-4.13,;71.36,-3.36,;72.69,-4.13,;74.03,-3.36,;72.69,-5.67,;68.69,-3.36,;67.35,-4.13,;66.03,-7.99,;67.37,-8.76,;64.69,-8.76,)|
Show InChI InChI=1S/C21H24FN3O3/c1-11-19(25-20(21(23)28)12(2)24-11)15-7-8-16(17(22)10-15)14-5-3-13(4-6-14)9-18(26)27/h7-8,10,13-14H,3-6,9H2,1-2H3,(H2,23,28)(H,26,27)/t13-,14+
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 120n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DGAT1 expressed in Sf9 cells by liquid scintillography


J Med Chem 55: 10610-29 (2012)


Article DOI: 10.1021/jm301296t
BindingDB Entry DOI: 10.7270/Q2XD12T3
More data for this
Ligand-Target Pair