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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '1,5-anhydro-D-fructose reductase' and Ligand = 'BDBM269287'   
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))
BDBM269287
PNG
(1-((1-(cyclopropanecarbonyl)azetidin-3-yl)methyl)-...)
Show SMILES Cn1ncc2cc(ccc12)-c1ccc(C2=NC(C)(C)C(=O)N2CC2CN(C2)C(=O)C2CC2)c(F)c1
Show InChI InChI=1S/C27H28FN5O2/c1-27(2)26(35)33(15-16-13-32(14-16)25(34)17-4-5-17)24(30-27)21-8-6-19(11-22(21)28)18-7-9-23-20(10-18)12-29-31(23)3/h6-12,16-17H,4-5,13-15H2,1-3H3
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 214n/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
1,5-anhydro-D-fructose reductase


(Homo sapiens (Human))
BDBM269287
PNG
(1-((1-(cyclopropanecarbonyl)azetidin-3-yl)methyl)-...)
Show SMILES Cn1ncc2cc(ccc12)-c1ccc(C2=NC(C)(C)C(=O)N2CC2CN(C2)C(=O)C2CC2)c(F)c1
Show InChI InChI=1S/C27H28FN5O2/c1-27(2)26(35)33(15-16-13-32(14-16)25(34)17-4-5-17)24(30-27)21-8-6-19(11-22(21)28)18-7-9-23-20(10-18)12-29-31(23)3/h6-12,16-17H,4-5,13-15H2,1-3H3
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.38E+3n/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