BDBM232927 US9346839, 8::US9738668, Compound 8

SMILES COc1ccc2nc(N[C@@H](c3ccc(O)cc3)P(=O)(OC)OC)sc2c1

InChI Key InChIKey=SMXXEEKTXGMORR-MRXNPFEDSA-N

Data  4 KI  4 IC50  2 Kd

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 232927   

TargetAmyloid beta-binding alcohol dehydrogenase(Homo sapiens (Human))
University of Kansas

US Patent
LigandPNGBDBM232927(US9346839, 8 | US9738668, Compound 8)
Affinity DataKi:  1.49E+4nMAssay Description:To perform kinetic analyses of the binding of phosphonate derivatives to ABAD, the BIACORE 3000 instrument (based on surface plasmon resonance [SPR] ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
Target3-hydroxyacyl-CoA dehydrogenase type-2(Homo sapiens (Human))
University of Kansas

US Patent
LigandPNGBDBM232927(US9346839, 8 | US9738668, Compound 8)
Affinity DataKi:  1.49E+4nM ΔG°:  -6.58kcal/mole IC50:  5.27E+4nM Kd:  291nMpH: 7.4 T: 2°CAssay Description:The interactions between compounds and ABAD were performed using the dual flow cell BIACORE 3000 instrument. Surface Plasmon Resonance (SPR) studies ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
Target3-hydroxyacyl-CoA dehydrogenase type-2(Homo sapiens (Human))
University of Kansas

US Patent
LigandPNGBDBM232927(US9346839, 8 | US9738668, Compound 8)
Affinity DataKi:  7.06E+4nM ΔG°:  -5.66kcal/mole IC50:  2.59E+5nMpH: 7.3 T: 2°CAssay 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 μ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetAmyloid beta-binding alcohol dehydrogenase(Homo sapiens (Human))
University of Kansas

US Patent
LigandPNGBDBM232927(US9346839, 8 | US9738668, Compound 8)
Affinity DataKi:  7.06E+4nMAssay 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 &#...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetAmyloid beta-binding alcohol dehydrogenase(Homo sapiens (Human))
University of Kansas

US Patent
LigandPNGBDBM232927(US9346839, 8 | US9738668, Compound 8)
Affinity DataIC50:  5.27E+4nMAssay Description:To perform kinetic analyses of the binding of phosphonate derivatives to ABAD, the BIACORE 3000 instrument (based on surface plasmon resonance [SPR] ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetAmyloid beta-binding alcohol dehydrogenase(Homo sapiens (Human))
University of Kansas

US Patent
LigandPNGBDBM232927(US9346839, 8 | US9738668, Compound 8)
Affinity DataIC50:  2.59E+5nMAssay 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 &#...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetAmyloid beta-binding alcohol dehydrogenase(Homo sapiens (Human))
University of Kansas

US Patent
LigandPNGBDBM232927(US9346839, 8 | US9738668, Compound 8)
Affinity DataKd:  291nMAssay Description:To perform kinetic analyses of the binding of phosphonate derivatives to ABAD, the BIACORE 3000 instrument (based on surface plasmon resonance [SPR] ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent