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BDBM131496 US8835472, 12.69

SMILES: CCOc1ncc(cn1)C#Cc1ccc(cc1)[C@H](C)NC(C)=O

InChI Key: InChIKey=ASPVBMNVZBAAGY-ZDUSSCGKSA-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 = 131496   
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))
BDBM131496
PNG
(US8835472, 12.69)
Show SMILES CCOc1ncc(cn1)C#Cc1ccc(cc1)[C@H](C)NC(C)=O
Show InChI InChI=1S/C18H19N3O2/c1-4-23-18-19-11-16(12-20-18)6-5-15-7-9-17(10-8-15)13(2)21-14(3)22/h7-13H,4H2,1-3H3,(H,21,22)/t13-/m0/s1
PDB
MMDB

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Similars

US Patent
n/an/a 2.60E+3n/an/an/an/a7.5n/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
Malonyl CoA formation by acetyl CoA carboxylases is stoichometrically linked to the consumption of ATP. ACC2 activity is measured in a NADH-linked ki...


US Patent US8835472 (2014)


BindingDB Entry DOI: 10.7270/Q25T3J6W
More data for this
Ligand-Target Pair