Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 288.3 BDBM50527786

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))	BDBM50527786 (CHEMBL4440588) Show SMILES Fc1ccc(cc1)-c1ccc2nc(cn2c1)-c1ccccc1 Show InChI InChI=1S/C19H13FN2/c20-17-9-6-14(7-10-17)16-8-11-19-21-18(13-22(19)12-16)15-4-2-1-3-5-15/h1-13H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.28E+4	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
					More data for this Ligand-Target Pair