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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 = 'BDBM232930'   
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))
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))
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))
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