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BDBM131259 US8835472, 4.67

SMILES: CCOc1ccc(cc1)C#Cc1ccc(CC(C)NC(=O)c2cncs2)cc1

InChI Key: InChIKey=DAXAPMSISSWGRN-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 = 131259   
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))
BDBM131259
PNG
(US8835472, 4.67)
Show SMILES CCOc1ccc(cc1)C#Cc1ccc(CC(C)NC(=O)c2cncs2)cc1
Show InChI InChI=1S/C23H22N2O2S/c1-3-27-21-12-10-19(11-13-21)5-4-18-6-8-20(9-7-18)14-17(2)25-23(26)22-15-24-16-28-22/h6-13,15-17H,3,14H2,1-2H3,(H,25,26)
PDB
MMDB

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PC cid
PC sid
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US Patent
n/an/a 70n/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