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BDBM148671 US8962641, 8.27

SMILES: C[C@H](NC(C)=O)c1ccc(O[C@@H]2CCN(C2)c2nc(ncc2F)N(C)CC(F)F)cc1

InChI Key: InChIKey=VQHWTJGUNYJHSK-HTCGWVBYNA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 148671   
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))
BDBM148671
PNG
(US8962641, 8.27)
Show SMILES C[C@H](NC(C)=O)c1ccc(O[C@@H]2CCN(C2)c2nc(ncc2F)N(C)CC(F)F)cc1
Show InChI InChI=1/C21H26F3N5O2/c1-13(26-14(2)30)15-4-6-16(7-5-15)31-17-8-9-29(11-17)20-18(22)10-25-21(27-20)28(3)12-19(23)24/h4-7,10,13,17,19H,8-9,11-12H2,1-3H3,(H,26,30)/t13-,17+/s2
PDB
MMDB

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PC sid
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Similars

US Patent
n/an/a 65n/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 US8962641 (2015)


BindingDB Entry DOI: 10.7270/Q2H130Q5
More data for this
Ligand-Target Pair