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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 = 'BDBM269309'   
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))
BDBM269309
PNG
(1-((1-(cyclopropanecarbonyl)azetidin-3-yl)methyl)-...)
Show SMILES CC1(C)N=C(N(CC2CN(C2)C(=O)C2CC2)C1=O)c1ccc(cc1F)-c1ccc2cc(F)ccc2c1
Show InChI InChI=1S/C29H27F2N3O2/c1-29(2)28(36)34(16-17-14-33(15-17)27(35)18-3-4-18)26(32-29)24-10-8-22(13-25(24)31)19-5-6-21-12-23(30)9-7-20(21)11-19/h5-13,17-18H,3-4,14-16H2,1-2H3
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 282n/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