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BDBM186741 US9169205, 2.33

SMILES: CC(O)C(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(C2)c2ccc(OCC3CC3)cc2)cc1

InChI Key: InChIKey=BTCBAKVOIHWTHO-RDIXDNMASA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 186741   
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
Acetyl-CoA carboxylase 2 (ACC2)


(Homo sapiens (Human))
BDBM186741
PNG
(US9169205, 2.33)
Show SMILES CC(O)C(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(C2)c2ccc(OCC3CC3)cc2)cc1
Show InChI InChI=1S/C25H32N2O4/c1-17(26-25(29)18(2)28)20-5-9-23(10-6-20)31-24-13-14-27(15-24)21-7-11-22(12-8-21)30-16-19-3-4-19/h5-12,17-19,24,28H,3-4,13-16H2,1-2H3,(H,26,29)/t17-,18?,24+/m0/s1
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MMDB

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Similars

US Patent
n/an/a 793n/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