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BDBM131456 US8835472, 12.29

SMILES: CC(Cc1ccc(cc1)C#Cc1cnc(OC2CCC2)nc1)NC(=O)N(C)C

InChI Key: InChIKey=AVAHMYWAKZZMQT-UHFFFAOYNA-N

Data: 1 IC50

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

Found 1 hit for monomerid = 131456   
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))
BDBM131456
PNG
(US8835472, 12.29)
Show SMILES CC(Cc1ccc(cc1)C#Cc1cnc(OC2CCC2)nc1)NC(=O)N(C)C
Show InChI InChI=1/C22H26N4O2/c1-16(25-22(27)26(2)3)13-18-10-7-17(8-11-18)9-12-19-14-23-21(24-15-19)28-20-5-4-6-20/h7-8,10-11,14-16,20H,4-6,13H2,1-3H3,(H,25,27)
PDB
MMDB

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PC sid
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Similars

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