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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Amyloid beta-binding alcohol dehydrogenase' and Ligand = 'BDBM232929'   
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


(Homo sapiens (Human))
BDBM232929
PNG
(US9346839, 10 | US9738668, Compound 10)
Show SMILES COc1ccc2nc(N[C@@H](c3cccs3)P(=O)(OC)OC)sc2c1 |r|
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
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
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)


BindingDB Entry DOI: 10.7270/Q22Z17NP
More data for this
Ligand-Target Pair
Amyloid beta-binding alcohol dehydrogenase


(Homo sapiens (Human))
BDBM232929
PNG
(US9346839, 10 | US9738668, Compound 10)
Show SMILES COc1ccc2nc(N[C@@H](c3cccs3)P(=O)(OC)OC)sc2c1 |r|
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
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
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)


BindingDB Entry DOI: 10.7270/Q22Z17NP
More data for this
Ligand-Target Pair