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Compile Data Set for Download or QSAR

Found 30 hits Enz. Inhib. hit(s) with Target = 'Amyloid beta-binding alcohol dehydrogenase (ABAD)' AND taxid = 9606   
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))
BDBM232928
PNG
(US9346839, 9 | US9738668, Compound 9)
Show SMILES COc1ccc2nc(N[C@@H](c3ccccc3O)P(=O)(OC)OC)sc2c1
Show InChI InChI=1S/C17H19N2O5PS/c1-22-11-8-9-13-15(10-11)26-17(18-13)19-16(25(21,23-2)24-3)12-6-4-5-7-14(12)20/h4-10,16,20H,1-3H3,(H,18,19)/t16-/m1/s1
GoogleScholar
PC cid
PC sid
UniChem
US Patent
2.00E+3n/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))
BDBM232926
PNG
(US9346839, 7 | US9738668, Compound 7)
Show SMILES CCOP(=O)(OCC)[C@@H](Nc1nc2ccc(OC)cc2s1)c1ccc(O)c(c1)C(=O)OC
Show InChI InChI=1S/C21H25N2O7PS/c1-5-29-31(26,30-6-2)19(13-7-10-17(24)15(11-13)20(25)28-4)23-21-22-16-9-8-14(27-3)12-18(16)32-21/h7-12,19,24H,5-6H2,1-4H3,(H,22,23)/t19-/m1/s1
GoogleScholar
PC cid
PC sid
UniChem
US Patent
2.80E+3n/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))
BDBM232923
PNG
(US9346839, 4 | US9738668, Compound 4)
Show SMILES COC(=O)c1cc(ccc1O)[C@H](Nc1nc2ccc(OC)cc2s1)P(=O)(OC)OC
Show InChI InChI=1S/C19H21N2O7PS/c1-25-12-6-7-14-16(10-12)30-19(20-14)21-17(29(24,27-3)28-4)11-5-8-15(22)13(9-11)18(23)26-2/h5-10,17,22H,1-4H3,(H,20,21)/t17-/m1/s1
GoogleScholar
PC cid
PC sid
UniChem
US Patent
5.50E+3n/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))
BDBM232930
PNG
(US9346839, 11 | US9738668, Compound 11)
Show SMILES COc1ccc2nc(N[C@@H](c3ccc[nH]3)P(=O)(OC)OC)sc2c1
Show InChI InChI=1S/C15H18N3O4PS/c1-20-10-6-7-11-13(9-10)24-15(17-11)18-14(12-5-4-8-16-12)23(19,21-2)22-3/h4-9,14,16H,1-3H3,(H,17,18)/t14-/m1/s1
GoogleScholar
PC cid
PC sid
UniChem
US Patent
9.60E+3n/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
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))
BDBM232929
PNG
(US9346839, 10 | US9738668, Compound 10)
Show SMILES COc1ccc2nc(N[C@@H](c3cccs3)P(=O)(OC)OC)sc2c1
Show InChI InChI=1S/C15H17N2O4PS2/c1-19-10-6-7-11-13(9-10)24-15(16-11)17-14(12-5-4-8-23-12)22(18,20-2)21-3/h4-9,14H,1-3H3,(H,16,17)/t14-/m1/s1
GoogleScholar
PC cid
PC sid
UniChem
US Patent
3.40E+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))
BDBM232925
PNG
(US9346839, 6 | US9738668, Compound 6)
Show SMILES CCOP(=O)(OCC)[C@@H](Nc1nc2cc(OC)ccc2s1)c1ccc(O)c(c1)C(=O)OC
Show InChI InChI=1S/C21H25N2O7PS/c1-5-29-31(26,30-6-2)19(13-7-9-17(24)15(11-13)20(25)28-4)23-21-22-16-12-14(27-3)8-10-18(16)32-21/h7-12,19,24H,5-6H2,1-4H3,(H,22,23)/t19-/m1/s1
GoogleScholar
PC cid
PC sid
UniChem
US Patent
4.49E+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
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))
BDBM232924
PNG
(US9346839, 5 | US9738668, Compound 5)
Show SMILES COC(=O)c1cc(ccc1O)[C@H](Nc1nc2cc(F)ccc2s1)P(=O)(OC)OC
Show InChI InChI=1S/C18H18FN2O6PS/c1-25-17(23)12-8-10(4-6-14(12)22)16(28(24,26-2)27-3)21-18-20-13-9-11(19)5-7-15(13)29-18/h4-9,16,22H,1-3H3,(H,20,21)/t16-/m1/s1
GoogleScholar
PC cid
PC sid
UniChem
US Patent
9.11E+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))
BDBM232923
PNG
(US9346839, 4 | US9738668, Compound 4)
Show SMILES COC(=O)c1cc(ccc1O)[C@H](Nc1nc2ccc(OC)cc2s1)P(=O)(OC)OC
Show InChI InChI=1S/C19H21N2O7PS/c1-25-12-6-7-14-16(10-12)30-19(20-14)21-17(29(24,27-3)28-4)11-5-8-15(22)13(9-11)18(23)26-2/h5-10,17,22H,1-4H3,(H,20,21)/t17-/m1/s1
GoogleScholar
PC cid
PC sid
UniChem
US Patent
9.66E+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))
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))
BDBM232928
PNG
(US9346839, 9 | US9738668, Compound 9)
Show SMILES COc1ccc2nc(N[C@@H](c3ccccc3O)P(=O)(OC)OC)sc2c1
Show InChI InChI=1S/C17H19N2O5PS/c1-22-11-8-9-13-15(10-11)26-17(18-13)19-16(25(21,23-2)24-3)12-6-4-5-7-14(12)20/h4-10,16,20H,1-3H3,(H,18,19)/t16-/m1/s1
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 7.20E+3n/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))
BDBM232926
PNG
(US9346839, 7 | US9738668, Compound 7)
Show SMILES CCOP(=O)(OCC)[C@@H](Nc1nc2ccc(OC)cc2s1)c1ccc(O)c(c1)C(=O)OC
Show InChI InChI=1S/C21H25N2O7PS/c1-5-29-31(26,30-6-2)19(13-7-10-17(24)15(11-13)20(25)28-4)23-21-22-16-9-8-14(27-3)12-18(16)32-21/h7-12,19,24H,5-6H2,1-4H3,(H,22,23)/t19-/m1/s1
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 9.90E+3n/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))
BDBM232923
PNG
(US9346839, 4 | US9738668, Compound 4)
Show SMILES COC(=O)c1cc(ccc1O)[C@H](Nc1nc2ccc(OC)cc2s1)P(=O)(OC)OC
Show InChI InChI=1S/C19H21N2O7PS/c1-25-12-6-7-14-16(10-12)30-19(20-14)21-17(29(24,27-3)28-4)11-5-8-15(22)13(9-11)18(23)26-2/h5-10,17,22H,1-4H3,(H,20,21)/t17-/m1/s1
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.96E+4n/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))
BDBM232930
PNG
(US9346839, 11 | US9738668, Compound 11)
Show SMILES COc1ccc2nc(N[C@@H](c3ccc[nH]3)P(=O)(OC)OC)sc2c1
Show InChI InChI=1S/C15H18N3O4PS/c1-20-10-6-7-11-13(9-10)24-15(17-11)18-14(12-5-4-8-16-12)23(19,21-2)22-3/h4-9,14,16H,1-3H3,(H,17,18)/t14-/m1/s1
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3.41E+4n/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))
BDBM232929
PNG
(US9346839, 10 | US9738668, Compound 10)
Show SMILES COc1ccc2nc(N[C@@H](c3cccs3)P(=O)(OC)OC)sc2c1
Show InChI InChI=1S/C15H17N2O4PS2/c1-19-10-6-7-11-13(9-10)24-15(16-11)17-14(12-5-4-8-23-12)22(18,20-2)21-3/h4-9,14H,1-3H3,(H,16,17)/t14-/m1/s1
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.25E+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))
BDBM232925
PNG
(US9346839, 6 | US9738668, Compound 6)
Show SMILES CCOP(=O)(OCC)[C@@H](Nc1nc2cc(OC)ccc2s1)c1ccc(O)c(c1)C(=O)OC
Show InChI InChI=1S/C21H25N2O7PS/c1-5-29-31(26,30-6-2)19(13-7-9-17(24)15(11-13)20(25)28-4)23-21-22-16-12-14(27-3)8-10-18(16)32-21/h7-12,19,24H,5-6H2,1-4H3,(H,22,23)/t19-/m1/s1
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 1.65E+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/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))
BDBM232924
PNG
(US9346839, 5 | US9738668, Compound 5)
Show SMILES COC(=O)c1cc(ccc1O)[C@H](Nc1nc2cc(F)ccc2s1)P(=O)(OC)OC
Show InChI InChI=1S/C18H18FN2O6PS/c1-25-17(23)12-8-10(4-6-14(12)22)16(28(24,26-2)27-3)21-18-20-13-9-11(19)5-7-15(13)29-18/h4-9,16,22H,1-3H3,(H,20,21)/t16-/m1/s1
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3.35E+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))
BDBM232923
PNG
(US9346839, 4 | US9738668, Compound 4)
Show SMILES COC(=O)c1cc(ccc1O)[C@H](Nc1nc2ccc(OC)cc2s1)P(=O)(OC)OC
Show InChI InChI=1S/C19H21N2O7PS/c1-25-12-6-7-14-16(10-12)30-19(20-14)21-17(29(24,27-3)28-4)11-5-8-15(22)13(9-11)18(23)26-2/h5-10,17,22H,1-4H3,(H,20,21)/t17-/m1/s1
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 3.41E+5n/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))
BDBM232923
PNG
(US9346839, 4 | US9738668, Compound 4)
Show SMILES COC(=O)c1cc(ccc1O)[C@H](Nc1nc2ccc(OC)cc2s1)P(=O)(OC)OC
Show InChI InChI=1S/C19H21N2O7PS/c1-25-12-6-7-14-16(10-12)30-19(20-14)21-17(29(24,27-3)28-4)11-5-8-15(22)13(9-11)18(23)26-2/h5-10,17,22H,1-4H3,(H,20,21)/t17-/m1/s1
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/a 496n/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
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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
Amyloid beta-binding alcohol dehydrogenase (ABAD)


(Homo sapiens (Human))
BDBM232923
PNG
(US9346839, 4 | US9738668, Compound 4)
Show SMILES COC(=O)c1cc(ccc1O)[C@H](Nc1nc2ccc(OC)cc2s1)P(=O)(OC)OC
Show InChI InChI=1S/C19H21N2O7PS/c1-25-12-6-7-14-16(10-12)30-19(20-14)21-17(29(24,27-3)28-4)11-5-8-15(22)13(9-11)18(23)26-2/h5-10,17,22H,1-4H3,(H,20,21)/t17-/m1/s1
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/a 496n/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))
BDBM232924
PNG
(US9346839, 5 | US9738668, Compound 5)
Show SMILES COC(=O)c1cc(ccc1O)[C@H](Nc1nc2cc(F)ccc2s1)P(=O)(OC)OC
Show InChI InChI=1S/C18H18FN2O6PS/c1-25-17(23)12-8-10(4-6-14(12)22)16(28(24,26-2)27-3)21-18-20-13-9-11(19)5-7-15(13)29-18/h4-9,16,22H,1-3H3,(H,20,21)/t16-/m1/s1
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/a 954n/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))
BDBM232930
PNG
(US9346839, 11 | US9738668, Compound 11)
Show SMILES COc1ccc2nc(N[C@@H](c3ccc[nH]3)P(=O)(OC)OC)sc2c1
Show InChI InChI=1S/C15H18N3O4PS/c1-20-10-6-7-11-13(9-10)24-15(17-11)18-14(12-5-4-8-16-12)23(19,21-2)22-3/h4-9,14,16H,1-3H3,(H,17,18)/t14-/m1/s1
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/a 380n/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))
BDBM232928
PNG
(US9346839, 9 | US9738668, Compound 9)
Show SMILES COc1ccc2nc(N[C@@H](c3ccccc3O)P(=O)(OC)OC)sc2c1
Show InChI InChI=1S/C17H19N2O5PS/c1-22-11-8-9-13-15(10-11)26-17(18-13)19-16(25(21,23-2)24-3)12-6-4-5-7-14(12)20/h4-10,16,20H,1-3H3,(H,18,19)/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
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))
BDBM232926
PNG
(US9346839, 7 | US9738668, Compound 7)
Show SMILES CCOP(=O)(OCC)[C@@H](Nc1nc2ccc(OC)cc2s1)c1ccc(O)c(c1)C(=O)OC
Show InChI InChI=1S/C21H25N2O7PS/c1-5-29-31(26,30-6-2)19(13-7-10-17(24)15(11-13)20(25)28-4)23-21-22-16-9-8-14(27-3)12-18(16)32-21/h7-12,19,24H,5-6H2,1-4H3,(H,22,23)/t19-/m1/s1
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/a 256n/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))
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