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BDBM50399685 CHEMBL2178943

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

InChI Key: InChIKey=KAGHJGHSKOXHFD-HDJSIYSDSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50399685   
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))
BDBM50399685
PNG
(CHEMBL2178943)
Show SMILES Cc1nc(C)c(nc1C(N)=O)-c1ccc([C@H]2CC[C@H](CC(O)=O)CC2)c(Cl)c1 |r,wU:15.15,wD:18.19,(21.76,-10.54,;23.09,-9.77,;24.44,-10.54,;25.76,-9.77,;27.1,-10.53,;25.76,-8.23,;24.43,-7.46,;23.09,-8.23,;21.76,-7.45,;20.43,-8.22,;21.76,-5.91,;27.09,-7.46,;27.09,-5.92,;28.42,-5.15,;29.76,-5.91,;31.09,-5.14,;31.08,-3.6,;32.42,-2.83,;33.76,-3.6,;35.09,-2.83,;36.42,-3.6,;37.76,-2.83,;36.42,-5.14,;33.75,-5.14,;32.43,-5.91,;29.76,-7.46,;31.1,-8.23,;28.43,-8.23,)|
Show InChI InChI=1S/C21H24ClN3O3/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

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GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 30n/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