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BDBM186753 US9169205, 2.45

SMILES: C[C@H](NC(=O)c1cn(C)nc1C(F)F)c1ccc(O[C@@H]2CCN(C2)c2ccc(OCC3CC3)cc2)cc1

InChI Key: InChIKey=SMHUHIXQAOFXOJ-MHECFPHRSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 186753   
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
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM186753
PNG
(US9169205, 2.45)
Show SMILES C[C@H](NC(=O)c1cn(C)nc1C(F)F)c1ccc(O[C@@H]2CCN(C2)c2ccc(OCC3CC3)cc2)cc1
Show InChI InChI=1S/C28H32F2N4O3/c1-18(31-28(35)25-16-33(2)32-26(25)27(29)30)20-5-9-23(10-6-20)37-24-13-14-34(15-24)21-7-11-22(12-8-21)36-17-19-3-4-19/h5-12,16,18-19,24,27H,3-4,13-15,17H2,1-2H3,(H,31,35)/t18-,24+/m0/s1
PDB
MMDB

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Similars

US Patent
n/an/a 993n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Assay reactions are then carried out in 384-well plates, with hACC2 in an appropriate dilution and at final assay concentrations (f.c.) of 100 mM Tri...


US Patent US9169205 (2015)


BindingDB Entry DOI: 10.7270/Q2NP2363
More data for this
Ligand-Target Pair