Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Aldehyde dehydrogenase, mitochondrial' and Ligand = 'BDBM153692'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Aldehyde dehydrogenase, mitochondrial (Homo sapiens (Human))	BDBM153692 (US10507215, Compound 9 | US9000015, 9 | US9610299,...) Show SMILES Cn1ccc(cc1=O)-c1ccc(CNC(=O)c2c(Cl)cccc2Cl)cc1 Show InChI InChI=1S/C20H16Cl2N2O2/c1-24-10-9-15(11-18(24)25)14-7-5-13(6-8-14)12-23-20(26)19-16(21)3-2-4-17(19)22/h2-11H,12H2,1H3,(H,23,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.09E+3	n/a	n/a	n/a	n/a	7.4	n/a
Gilead Sciences, Inc. US Patent					Assay Description Standard ALDH2 reaction mixtures contained 150 uM formaldehyde, 2.5 mM NAD+, 10 mM MgCl2 and 10 nM recombinant human ALDH2 in 50 mM Hepes buffer, pH ...				US Patent US9000015 (2015) BindingDB Entry DOI: 10.7270/Q28S4NNX
					More data for this Ligand-Target Pair
Aldehyde dehydrogenase, mitochondrial (Homo sapiens (Human))	BDBM153692 (US10507215, Compound 9 | US9000015, 9 | US9610299,...) Show SMILES Cn1ccc(cc1=O)-c1ccc(CNC(=O)c2c(Cl)cccc2Cl)cc1 Show InChI InChI=1S/C20H16Cl2N2O2/c1-24-10-9-15(11-18(24)25)14-7-5-13(6-8-14)12-23-20(26)19-16(21)3-2-4-17(19)22/h2-11H,12H2,1H3,(H,23,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.09E+3	n/a	n/a	n/a	n/a	n/a	n/a
Amygdala Neurosciences, Inc. US Patent					Assay Description Standard ALDH2 reaction mixtures contained 150 uM formaldehyde, 2.5 mM NAD+, 10 mM MgCl2 and 10 nM recombinant human ALDH2 in 50 mM Hepes buffer, pH ...				US Patent US10507215 (2019) BindingDB Entry DOI: 10.7270/Q2FF3VRG
					More data for this Ligand-Target Pair
Aldehyde dehydrogenase, mitochondrial (Homo sapiens (Human))	BDBM153692 (US10507215, Compound 9 | US9000015, 9 | US9610299,...) Show SMILES Cn1ccc(cc1=O)-c1ccc(CNC(=O)c2c(Cl)cccc2Cl)cc1 Show InChI InChI=1S/C20H16Cl2N2O2/c1-24-10-9-15(11-18(24)25)14-7-5-13(6-8-14)12-23-20(26)19-16(21)3-2-4-17(19)22/h2-11H,12H2,1H3,(H,23,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.09E+3	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. US Patent					Assay Description Standard ALDH2 reaction mixtures contained 150 uM formaldehyde, 2.5 mM NAD+, 10 mM MgCl2 and 10 nM recombinant human ALDH2 in 50 mM Hepes buffer, pH ...				US Patent US9610299 (2017) BindingDB Entry DOI: 10.7270/Q2FQ9ZPV
					More data for this Ligand-Target Pair