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BDBM131441 US8835472, 12.14

SMILES: CC(Cc1ccc(cc1)C#Cc1cnc(OCc2cc(C)on2)nc1)NC(C)=O

InChI Key: InChIKey=FODCNKCBXPDBLP-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 = 131441   
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))
BDBM131441
PNG
(US8835472, 12.14)
Show SMILES CC(Cc1ccc(cc1)C#Cc1cnc(OCc2cc(C)on2)nc1)NC(C)=O
Show InChI InChI=1/C22H22N4O3/c1-15(25-17(3)27)10-19-7-4-18(5-8-19)6-9-20-12-23-22(24-13-20)28-14-21-11-16(2)29-26-21/h4-5,7-8,11-13,15H,10,14H2,1-3H3,(H,25,27)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 2.50E+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