BDBM232925 US9346839, 6::US9738668, Compound 6

SMILES CCOP(=O)(OCC)[C@@H](Nc1nc2cc(OC)ccc2s1)c1ccc(O)c(c1)C(=O)OC

InChI Key InChIKey=QKHXYVSKSUOZKQ-LJQANCHMSA-N

Data  2 KI  2 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 232925   

Target3-hydroxyacyl-CoA dehydrogenase type-2(Homo sapiens (Human))
University Of Kansas

US Patent
LigandPNGBDBM232925(US9346839, 6 | US9738668, Compound 6)
Affinity DataKi:  4.49E+4nM ΔG°:  -5.93kcal/mole IC50:  1.65E+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
LigandPNGBDBM232925(US9346839, 6 | US9738668, Compound 6)
Affinity DataKi:  4.49E+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
LigandPNGBDBM232925(US9346839, 6 | US9738668, Compound 6)
Affinity DataIC50:  1.65E+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