Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 360.4 BDBM50527789

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   

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))	BDBM50527789 (CHEMBL4454424) Show SMILES COc1ccc(cc1)-c1cn2cc(ccc2n1)-c1ccc(OC)c(OC)c1 Show InChI InChI=1S/C22H20N2O3/c1-25-18-8-4-15(5-9-18)19-14-24-13-17(7-11-22(24)23-19)16-6-10-20(26-2)21(12-16)27-3/h4-14H,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Pisa Curated by ChEMBL					Assay Description Inhibition of recombinant human 6His-tagged ALDH1A3 expressed in Escherichia coli BL21(DE3) using acetaldehyde as substrate preincubated for 5 mins f...				J Med Chem 63: 4603-4616 (2020) Article DOI: 10.1021/acs.jmedchem.9b01910 BindingDB Entry DOI: 10.7270/Q22V2KJT
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