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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Amyloid beta-binding alcohol dehydrogenase (ABAD)' and Ligand = 'BDBM232927'   
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))
BDBM232927
PNG
(US9346839, 8 | US9738668, Compound 8)
Show SMILES COc1ccc2nc(N[C@@H](c3ccc(O)cc3)P(=O)(OC)OC)sc2c1
Show InChI InChI=1S/C17H19N2O5PS/c1-22-13-8-9-14-15(10-13)26-17(18-14)19-16(25(21,23-2)24-3)11-4-6-12(20)7-5-11/h4-10,16,20H,1-3H3,(H,18,19)/t16-/m1/s1
GoogleScholar
PC cid
PC sid
UniChem
US Patent
1.49E+4n/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))
BDBM232927
PNG
(US9346839, 8 | US9738668, Compound 8)
Show SMILES COc1ccc2nc(N[C@@H](c3ccc(O)cc3)P(=O)(OC)OC)sc2c1
Show InChI InChI=1S/C17H19N2O5PS/c1-22-13-8-9-14-15(10-13)26-17(18-14)19-16(25(21,23-2)24-3)11-4-6-12(20)7-5-11/h4-10,16,20H,1-3H3,(H,18,19)/t16-/m1/s1
GoogleScholar
PC cid
PC sid
UniChem
US Patent
7.06E+4n/an/an/an/an/an/an/an/a



University of Kansas

US Patent


Assay Description
The assay for the inhibition of reduction of S-acetoacetyl-CoA (SAAC) by ABAD was carried out with ABAD (418 ng/ml), SAAC (172 μM), NADH (102 &#...


US Patent US9738668 (2017)

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


(Homo sapiens (Human))
BDBM232927
PNG
(US9346839, 8 | US9738668, Compound 8)
Show SMILES COc1ccc2nc(N[C@@H](c3ccc(O)cc3)P(=O)(OC)OC)sc2c1
Show InChI InChI=1S/C17H19N2O5PS/c1-22-13-8-9-14-15(10-13)26-17(18-14)19-16(25(21,23-2)24-3)11-4-6-12(20)7-5-11/h4-10,16,20H,1-3H3,(H,18,19)/t16-/m1/s1
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.27E+4n/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))
BDBM232927
PNG
(US9346839, 8 | US9738668, Compound 8)
Show SMILES COc1ccc2nc(N[C@@H](c3ccc(O)cc3)P(=O)(OC)OC)sc2c1
Show InChI InChI=1S/C17H19N2O5PS/c1-22-13-8-9-14-15(10-13)26-17(18-14)19-16(25(21,23-2)24-3)11-4-6-12(20)7-5-11/h4-10,16,20H,1-3H3,(H,18,19)/t16-/m1/s1
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 2.59E+5n/an/an/an/an/an/a



University of Kansas

US Patent


Assay Description
The assay for the inhibition of reduction of S-acetoacetyl-CoA (SAAC) by ABAD was carried out with ABAD (418 ng/ml), SAAC (172 μM), NADH (102 &#...


US Patent US9738668 (2017)

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


(Homo sapiens (Human))
BDBM232927
PNG
(US9346839, 8 | US9738668, Compound 8)
Show SMILES COc1ccc2nc(N[C@@H](c3ccc(O)cc3)P(=O)(OC)OC)sc2c1
Show InChI InChI=1S/C17H19N2O5PS/c1-22-13-8-9-14-15(10-13)26-17(18-14)19-16(25(21,23-2)24-3)11-4-6-12(20)7-5-11/h4-10,16,20H,1-3H3,(H,18,19)/t16-/m1/s1
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/a 291n/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