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BDBM131236 US8835472, 4.44

SMILES: CCOc1ccc(cc1)C#Cc1ccc(cc1)C(C)NC(=O)C1(C)CC1

InChI Key: InChIKey=BIYXBQZOLIJKRM-UHFFFAOYNA-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 = 131236   
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))
BDBM131236
PNG
(US8835472, 4.44)
Show SMILES CCOc1ccc(cc1)C#Cc1ccc(cc1)C(C)NC(=O)C1(C)CC1
Show InChI InChI=1/C23H25NO2/c1-4-26-21-13-9-19(10-14-21)6-5-18-7-11-20(12-8-18)17(2)24-22(25)23(3)15-16-23/h7-14,17H,4,15-16H2,1-3H3,(H,24,25)
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.50E+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