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BDBM50380038 CHEMBL2012630

SMILES: OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)C(=O)Nc1nnc(Cc2ccc(Cl)cc2)s1

InChI Key: InChIKey=NFAWNMZAIKSWRP-QAQDUYKDSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50380038   
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))		BDBM50380038
PNG
(CHEMBL2012630)
Show SMILES OC(=O)C[C@H]1CC[C@@H](CC1)c1ccc(cc1)C(=O)Nc1nnc(Cc2ccc(Cl)cc2)s1 |r,wU:7.10,wD:4.3,(15.13,-16.75,;13.59,-16.77,;12.84,-18.12,;12.8,-15.45,;11.26,-15.47,;10.47,-14.14,;8.94,-14.17,;8.19,-15.51,;8.97,-16.83,;10.5,-16.82,;6.65,-15.53,;5.87,-14.21,;4.33,-14.23,;3.58,-15.57,;4.36,-16.89,;5.9,-16.87,;2.04,-15.58,;1.26,-14.26,;1.29,-16.92,;-.25,-16.94,;-1.17,-15.71,;-2.63,-16.2,;-2.62,-17.74,;-3.96,-18.5,;-5.28,-17.71,;-5.26,-16.17,;-6.59,-15.39,;-7.93,-16.14,;-9.26,-15.36,;-7.94,-17.69,;-6.62,-18.47,;-1.15,-18.2,)|
Show InChI InChI=1S/C24H24ClN3O3S/c25-20-11-3-15(4-12-20)13-21-27-28-24(32-21)26-23(31)19-9-7-18(8-10-19)17-5-1-16(2-6-17)14-22(29)30/h3-4,7-12,16-17H,1-2,5-6,13-14H2,(H,29,30)(H,26,28,31)/t16-,17-
PDB

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PC cid
PC sid
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Similars
Article
PubMed
n/an/a 5.28E+3n/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