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BDBM181787 US9139593, 19

SMILES: Clc1ccc(CNC(=O)N2CC3CN(C3C2)S(=O)(=O)c2ccccc2)c(Cl)c1

InChI Key: InChIKey=SNDOPLDGRCNUQN-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 181787   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
EBifunctional epoxide hydrolase 2


(Homo sapiens (Human))
BDBM181787
PNG
(US9139593, 19)
Show SMILES Clc1ccc(CNC(=O)N2CC3CN(C3C2)S(=O)(=O)c2ccccc2)c(Cl)c1
Show InChI InChI=1S/C19H19Cl2N3O3S/c20-15-7-6-13(17(21)8-15)9-22-19(25)23-10-14-11-24(18(14)12-23)28(26,27)16-4-2-1-3-5-16/h1-8,14,18H,9-12H2,(H,22,25)
PDB

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PC sid
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Similars

US Patent
n/an/a 238n/an/an/an/a7.025



Hoffmann-La Roche Inc

US Patent


Assay Description
Test compounds (1.6 mM stock in DMSO) were diluted 3 fold in series in DMSO and 0.8 microliters per well were added into 384-well NBS microplates (Co...


US Patent US9139593 (2015)


BindingDB Entry DOI: 10.7270/Q2610Z3R
More data for this
Ligand-Target Pair