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BDBM186621 US9169205, 1.18

SMILES: C[C@H](NC(C)=O)c1ccc(OC2CCN(C2)c2ccc3OCC(C)(C)COc3c2)cc1

InChI Key: InChIKey=UJHUABQJNZSBNX-LBOXEOMUSA-N

Data: 1 IC50

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 186621   
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))
BDBM186621
PNG
(US9169205, 1.18)
Show SMILES C[C@H](NC(C)=O)c1ccc(OC2CCN(C2)c2ccc3OCC(C)(C)COc3c2)cc1
Show InChI InChI=1S/C25H32N2O4/c1-17(26-18(2)28)19-5-8-21(9-6-19)31-22-11-12-27(14-22)20-7-10-23-24(13-20)30-16-25(3,4)15-29-23/h5-10,13,17,22H,11-12,14-16H2,1-4H3,(H,26,28)/t17-,22?/m0/s1
PDB
MMDB

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Similars

US Patent
n/an/a 214n/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