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BDBM186778 US9169205, 3.4

SMILES: CCN(C)C(=O)N[C@@H](C)c1ccc(OC2CCN(C2)c2ccc(OCC3CC3)cc2)cc1

InChI Key: InChIKey=AFYUULDNTWLVOD-ZRBNVOILNA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 186778   
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))
BDBM186778
PNG
(US9169205, 3.4)
Show SMILES CCN(C)C(=O)N[C@@H](C)c1ccc(OC2CCN(C2)c2ccc(OCC3CC3)cc2)cc1
Show InChI InChI=1/C26H35N3O3/c1-4-28(3)26(30)27-19(2)21-7-11-24(12-8-21)32-25-15-16-29(17-25)22-9-13-23(14-10-22)31-18-20-5-6-20/h7-14,19-20,25H,4-6,15-18H2,1-3H3,(H,27,30)/t19-,25?/s2
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MMDB

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Similars

US Patent
n/an/a 165n/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