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BDBM50399692 CHEMBL2178936

SMILES: NC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1cncc(n1)C(N)=O

InChI Key: InChIKey=ASMVUYHQXNPNLI-JOCQHMNTSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50399692   
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))
BDBM50399692
PNG
(CHEMBL2178936)
Show SMILES NC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)-c1cncc(n1)C(N)=O |r,wU:7.10,wD:4.3,(36.86,-29.48,;35.53,-30.25,;35.53,-31.79,;34.2,-29.48,;32.86,-30.25,;31.53,-29.49,;30.19,-30.26,;30.2,-31.79,;31.53,-32.56,;32.86,-31.8,;28.86,-32.57,;28.87,-34.12,;27.53,-34.89,;26.2,-34.12,;26.2,-32.57,;27.53,-31.8,;24.87,-34.89,;24.87,-36.42,;23.54,-37.19,;22.2,-36.42,;22.2,-34.88,;23.53,-34.11,;20.87,-34.11,;19.53,-34.88,;20.87,-32.57,)|
Show InChI InChI=1S/C19H22N4O2/c20-18(24)9-12-1-3-13(4-2-12)14-5-7-15(8-6-14)16-10-22-11-17(23-16)19(21)25/h5-8,10-13H,1-4,9H2,(H2,20,24)(H2,21,25)/t12-,13-
UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.90E+3n/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