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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 = 'BDBM268883'   
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))
BDBM268883
PNG
((4RS)-1-(((R)-1-(cyclopropanecarbonyl)pyrrolidin-3...)
Show SMILES Cn1ncc2cc(ccc12)-c1ccc(cc1)C1=NC(C)(C(=O)N1C[C@@H]1CCN(C1)C(=O)C1CC1)c1ccccc1
Show InChI InChI=1S/C33H33N5O2/c1-33(28-6-4-3-5-7-28)32(40)38(21-22-16-17-37(20-22)31(39)25-12-13-25)30(35-33)24-10-8-23(9-11-24)26-14-15-29-27(18-26)19-34-36(29)2/h3-11,14-15,18-19,22,25H,12-13,16-17,20-21H2,1-2H3/t22-,33?/m1/s1
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 417n/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