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BDBM131636 US8835472, 14.45

SMILES: CC(Cc1ccc(cc1)C#Cc1ccc(cc1)C(C)(C)C)NC(=O)C1CC1

InChI Key: InChIKey=WMKATGJUDLUJAH-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 = 131636   
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))
BDBM131636
PNG
(US8835472, 14.45)
Show SMILES CC(Cc1ccc(cc1)C#Cc1ccc(cc1)C(C)(C)C)NC(=O)C1CC1
Show InChI InChI=1/C25H29NO/c1-18(26-24(27)22-13-14-22)17-21-9-7-19(8-10-21)5-6-20-11-15-23(16-12-20)25(2,3)4/h7-12,15-16,18,22H,13-14,17H2,1-4H3,(H,26,27)
PDB
MMDB

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PC cid
PC sid
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Similars

US Patent
n/an/a 1.00E+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