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BDBM50399709 CHEMBL2178954

SMILES: Cc1ncc(nc1C(N)=O)-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1

InChI Key: InChIKey=JEYLNWQDTLWEBW-HDJSIYSDSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50399709   
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))
BDBM50399709
PNG
(CHEMBL2178954)
Show SMILES Cc1ncc(nc1C(N)=O)-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1 |r,wU:16.17,wD:19.21,(3.36,-22.24,;4.69,-21.47,;6.03,-22.24,;7.36,-21.46,;7.36,-19.93,;6.03,-19.16,;4.69,-19.92,;3.36,-19.15,;2.03,-19.92,;3.36,-17.61,;8.69,-19.16,;10.02,-19.93,;11.36,-19.16,;11.36,-17.61,;10.02,-16.85,;8.69,-17.62,;12.69,-16.84,;12.68,-15.3,;14.02,-14.53,;15.36,-15.3,;16.69,-14.53,;18.02,-15.3,;19.36,-14.53,;18.02,-16.84,;15.35,-16.84,;14.03,-17.61,)|
Show InChI InChI=1S/C20H23N3O3/c1-12-19(20(21)26)23-17(11-22-12)16-8-6-15(7-9-16)14-4-2-13(3-5-14)10-18(24)25/h6-9,11,13-14H,2-5,10H2,1H3,(H2,21,26)(H,24,25)/t13-,14-
UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 590n/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