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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 = 'BDBM269342'   
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))
BDBM269342
PNG
(4,4-dimethyl-2-(3-methyl-4'-(1-methyl-1H-pyrazol-4...)
Show SMILES Cc1cc(ccc1C1=NC(C)(C)C(=O)N1CC1CN(C1)C(=O)C1(C)CC1)-c1ccc(cc1)-c1cnn(C)c1
Show InChI InChI=1S/C31H35N5O2/c1-20-14-24(22-6-8-23(9-7-22)25-15-32-34(5)19-25)10-11-26(20)27-33-30(2,3)28(37)36(27)18-21-16-35(17-21)29(38)31(4)12-13-31/h6-11,14-15,19,21H,12-13,16-18H2,1-5H3
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 87.1n/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