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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Amyloid beta-binding alcohol dehydrogenase (ABAD)' and Ligand = 'BDBM232931'   
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
Amyloid beta-binding alcohol dehydrogenase (ABAD)


(Homo sapiens (Human))
BDBM232931
PNG
(US9346839, 15 | US9738668, Compound 15)
Show SMILES COc1ccc2nc(N[C@@H](c3ccc(F)cc3)P(=O)(OC)OC)sc2c1
Show InChI InChI=1S/C17H18FN2O4PS/c1-22-13-8-9-14-15(10-13)26-17(19-14)20-16(25(21,23-2)24-3)11-4-6-12(18)7-5-11/h4-10,16H,1-3H3,(H,19,20)/t16-/m1/s1
GoogleScholar
PC cid
PC sid
UniChem
US Patent
3.56E+5n/an/an/an/an/an/an/an/a



University of Kansas

US Patent


Assay Description
To perform kinetic analyses of the binding of phosphonate derivatives to ABAD, the BIACORE 3000 instrument (based on surface plasmon resonance [SPR] ...


US Patent US9738668 (2017)

More data for this
Ligand-Target Pair
Amyloid beta-binding alcohol dehydrogenase (ABAD)


(Homo sapiens (Human))
BDBM232931
PNG
(US9346839, 15 | US9738668, Compound 15)
Show SMILES COc1ccc2nc(N[C@@H](c3ccc(F)cc3)P(=O)(OC)OC)sc2c1
Show InChI InChI=1S/C17H18FN2O4PS/c1-22-13-8-9-14-15(10-13)26-17(19-14)20-16(25(21,23-2)24-3)11-4-6-12(18)7-5-11/h4-10,16H,1-3H3,(H,19,20)/t16-/m1/s1
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.26E+6n/an/an/an/an/an/a



University of Kansas

US Patent


Assay Description
To perform kinetic analyses of the binding of phosphonate derivatives to ABAD, the BIACORE 3000 instrument (based on surface plasmon resonance [SPR] ...


US Patent US9738668 (2017)

More data for this
Ligand-Target Pair
Amyloid beta-binding alcohol dehydrogenase (ABAD)


(Homo sapiens (Human))
BDBM232931
PNG
(US9346839, 15 | US9738668, Compound 15)
Show SMILES COc1ccc2nc(N[C@@H](c3ccc(F)cc3)P(=O)(OC)OC)sc2c1
Show InChI InChI=1S/C17H18FN2O4PS/c1-22-13-8-9-14-15(10-13)26-17(19-14)20-16(25(21,23-2)24-3)11-4-6-12(18)7-5-11/h4-10,16H,1-3H3,(H,19,20)/t16-/m1/s1
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/a 264n/an/an/an/an/a



University of Kansas

US Patent


Assay Description
To perform kinetic analyses of the binding of phosphonate derivatives to ABAD, the BIACORE 3000 instrument (based on surface plasmon resonance [SPR] ...


US Patent US9738668 (2017)

More data for this
Ligand-Target Pair