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BDBM50380056 CHEMBL2012609

SMILES: OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)C(=O)Nc1nnc(SCc2ccccc2)s1

InChI Key: InChIKey=BNZJEARTEGTNRV-SAABIXHNSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50380056   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50380056
PNG
(CHEMBL2012609)
Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)C(=O)Nc1nnc(SCc2ccccc2)s1
Show InChI InChI=1S/C24H25N3O3S2/c28-21(29)14-16-6-8-18(9-7-16)19-10-12-20(13-11-19)22(30)25-23-26-27-24(32-23)31-15-17-4-2-1-3-5-17/h1-5,10-13,16,18H,6-9,14-15H2,(H,28,29)(H,25,26,30)/t16-,18-
PDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 218n/an/an/an/an/an/a



Sanofi-Aventis R&D

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DGAT1 expressed in baculovirus infected Sf9 cells after 60 mins by scintillation counting method


Bioorg Med Chem Lett 22: 2497-502 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.006
BindingDB Entry DOI: 10.7270/Q2VQ33PZ
More data for this
Ligand-Target Pair