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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetyl-CoA carboxylase 2' and Ligand = 'BDBM139017'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Acetyl-CoA carboxylase 2


(Homo sapiens (Human))
BDBM139017
PNG
(US8877741, 14.2)
Show SMILES COc1c(OCC2CC2(F)F)nccc1N1CC[C@H](C1)Oc1ccc(cc1)[C@H](C)NC(C)=O |r|
Show InChI InChI=1S/C24H29F2N3O4/c1-15(28-16(2)30)17-4-6-19(7-5-17)33-20-9-11-29(13-20)21-8-10-27-23(22(21)31-3)32-14-18-12-24(18,25)26/h4-8,10,15,18,20H,9,11-14H2,1-3H3,(H,28,30)/t15-,18?,20+/m0/s1
PDB
MMDB

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Similars

US Patent
n/an/a 45n/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 US8877741 (2014)


BindingDB Entry DOI: 10.7270/Q2R78CXJ
More data for this
Ligand-Target Pair