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BDBM186780 US9169205, 3.6

SMILES: C[C@H](NC(=O)N(C)Cc1ccncn1)c1ccc(OC2CCN(C2)c2ccc(OCC3CC3)cc2)cc1

InChI Key: InChIKey=MJSUPULSYYTNKB-LYXFVPKONA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 186780   
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))
BDBM186780
PNG
(US9169205, 3.6)
Show SMILES C[C@H](NC(=O)N(C)Cc1ccncn1)c1ccc(OC2CCN(C2)c2ccc(OCC3CC3)cc2)cc1
Show InChI InChI=1/C29H35N5O3/c1-21(32-29(35)33(2)17-24-13-15-30-20-31-24)23-5-9-27(10-6-23)37-28-14-16-34(18-28)25-7-11-26(12-8-25)36-19-22-3-4-22/h5-13,15,20-22,28H,3-4,14,16-19H2,1-2H3,(H,32,35)/t21-,28?/s2
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MMDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 504n/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