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BDBM131251 US8835472, 4.59

SMILES: CCOc1ccc(cc1)C#Cc1ccc(CC(C)NC(=O)c2ccco2)cc1

InChI Key: InChIKey=LIAIPYHRKQJQTK-UHFFFAOYSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 131251   
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))
BDBM131251
PNG
(US8835472, 4.59)
Show SMILES CCOc1ccc(cc1)C#Cc1ccc(CC(C)NC(=O)c2ccco2)cc1
Show InChI InChI=1S/C24H23NO3/c1-3-27-22-14-12-20(13-15-22)7-6-19-8-10-21(11-9-19)17-18(2)25-24(26)23-5-4-16-28-23/h4-5,8-16,18H,3,17H2,1-2H3,(H,25,26)
PDB
MMDB

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PC cid
PC sid
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US Patent
n/an/a 110n/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