Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aldehyde dehydrogenase family 1 member A3' and Ligand = 'BDBM50538686'   

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 family 1 member A3 (Homo sapiens (Human))	BDBM50538686 (CHEMBL4640253) Show SMILES c1c(nc2c(cccn12)-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C19H14N2/c1-3-8-15(9-4-1)17-12-7-13-21-14-18(20-19(17)21)16-10-5-2-6-11-16/h1-14H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.06E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Pisa Curated by ChEMBL					Assay Description Inhibition of human recombinant ALDH1A3 pre-incubated for 5 mins before acetaldehyde addition by continuous spectrometric assay relative to control				ACS Med Chem Lett 11: 963-970 (2020) Article DOI: 10.1021/acsmedchemlett.9b00686 BindingDB Entry DOI: 10.7270/Q2N301G7
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