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BDBM148888 US8962641, 8.245

SMILES: C[C@H](NC(C)=O)c1ccc(O[C@@H]2CCN(C2)c2nc(ncc2F)N2CC[C@H](O)C2)cc1

InChI Key: InChIKey=QMGGPFWLFARECE-CSTMBSPUNA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 148888   
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))
BDBM148888
PNG
(US8962641, 8.245)
Show SMILES C[C@H](NC(C)=O)c1ccc(O[C@@H]2CCN(C2)c2nc(ncc2F)N2CC[C@H](O)C2)cc1
Show InChI InChI=1/C22H28FN5O3/c1-14(25-15(2)29)16-3-5-18(6-4-16)31-19-8-10-27(13-19)21-20(23)11-24-22(26-21)28-9-7-17(30)12-28/h3-6,11,14,17,19,30H,7-10,12-13H2,1-2H3,(H,25,29)/t14-,17-,19+/s2
PDB
MMDB

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PC sid
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Similars

US Patent
n/an/a 937n/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