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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = '1,5-anhydro-D-fructose reductase' and Ligand = 'BDBM269325'   
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
1,5-anhydro-D-fructose reductase


(Homo sapiens (Human))
BDBM269325
PNG
(1-((1-(cyclopropanecarbonyl)azetidin-3-yl)methyl)-...)
Show SMILES Cn1cc(cn1)-c1ccc(cc1)-c1ccc(C2=NC(C)(C)C(=O)N2CC2CN(C2)C(=O)C2(C)CC2)c(F)c1
Show InChI InChI=1S/C30H32FN5O2/c1-29(2)27(37)36(17-19-15-35(16-19)28(38)30(3)11-12-30)26(33-29)24-10-9-22(13-25(24)31)20-5-7-21(8-6-20)23-14-32-34(4)18-23/h5-10,13-14,18-19H,11-12,15-17H2,1-4H3
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 107n/an/an/an/a7.525



Janssen Pharmaceutica NV

US Patent


Assay Description
10 μL assay buffer (100 mM KH2PO4 pH 7.5) was added to a 384-well clear plate (costar 3702). 0.3 μL compound (at concentrations of 30 μ...


US Patent US9718813 (2017)

More data for this
Ligand-Target Pair