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BDBM131118 US8835472, 2.51

SMILES: CCCOc1ccc(C#Cc2ccc(cc2)C(C)NC(C)=O)c(OC)c1

InChI Key: InChIKey=IRDTZLIMARJDBG-UHFFFAOYNA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 131118   
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))
BDBM131118
PNG
(US8835472, 2.51)
Show SMILES CCCOc1ccc(C#Cc2ccc(cc2)C(C)NC(C)=O)c(OC)c1
Show InChI InChI=1/C22H25NO3/c1-5-14-26-21-13-12-20(22(15-21)25-4)11-8-18-6-9-19(10-7-18)16(2)23-17(3)24/h6-7,9-10,12-13,15-16H,5,14H2,1-4H3,(H,23,24)
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MMDB

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PC cid
PC sid
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Similars

US Patent
n/an/a 1.30E+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