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BDBM131571 US8835472, 13.75

SMILES: CC(Cc1ccc(cc1)C#Cc1cnc(NCCC(F)(F)F)nc1)NC(C)=O

InChI Key: InChIKey=FTGDHOMMZRUQSG-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 = 131571   
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))
BDBM131571
PNG
(US8835472, 13.75)
Show SMILES CC(Cc1ccc(cc1)C#Cc1cnc(NCCC(F)(F)F)nc1)NC(C)=O
Show InChI InChI=1/C20H21F3N4O/c1-14(27-15(2)28)11-17-6-3-16(4-7-17)5-8-18-12-25-19(26-13-18)24-10-9-20(21,22)23/h3-4,6-7,12-14H,9-11H2,1-2H3,(H,27,28)(H,24,25,26)
PDB
MMDB

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PC cid
PC sid
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Similars

US Patent
n/an/a 170n/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