Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Aldehyde dehydrogenase, dimeric NADP-preferring' and Ligand = 'BDBM50447061'   

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, dimeric NADP-preferring (Homo sapiens (Human))	BDBM50447061 (CHEMBL3112688 | US9328112, A53) Show SMILES Cc1nc2ccccc2n1S(=O)(=O)c1ccc(Cl)c(C)c1 Show InChI InChI=1S/C15H13ClN2O2S/c1-10-9-12(7-8-13(10)16)21(19,20)18-11(2)17-14-5-3-4-6-15(14)18/h3-9H,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Inhibition of human ALDH3A1-mediated benzaldehyde oxidation preincubated for 1 min followed by substrate addition by spectrophotometric analysis				J Med Chem 57: 449-61 (2014) Article DOI: 10.1021/jm401508p BindingDB Entry DOI: 10.7270/Q2VT1TKK
					More data for this Ligand-Target Pair
Aldehyde dehydrogenase, dimeric NADP-preferring (Homo sapiens (Human))	BDBM50447061 (CHEMBL3112688 | US9328112, A53) Show SMILES Cc1nc2ccccc2n1S(=O)(=O)c1ccc(Cl)c(C)c1 Show InChI InChI=1S/C15H13ClN2O2S/c1-10-9-12(7-8-13(10)16)21(19,20)18-11(2)17-14-5-3-4-6-15(14)18/h3-9H,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	700	n/a	n/a	n/a	n/a	7.5	n/a
Indiana University Research and Technology Corporation US Patent					Assay Description IC50 values were determined for CB29 and its analogs using propionaldehyde as the substrate for ALDH1A1 and ALDH2 or benzaldehyde as the substrate fo...				US Patent US9320722 (2016) BindingDB Entry DOI: 10.7270/Q2V69HGB
					More data for this Ligand-Target Pair