Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Chymotrypsin-like elastase family member 2A' and Ligand = 'BDBM50060363'   

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
Chymotrypsin-like elastase family member 2A (Sus scrofa)	BDBM50060363 (3-Acetoxymethyl-8-oxo-7-vinylidene-5-thia-1-aza-bi...) Show SMILES CC(=O)OCC1=C(N2C(SC1)C(=C=C)C2=O)C(=O)OC(c1ccccc1)c1ccccc1 |t:5| Show InChI InChI=1S/C25H21NO5S/c1-3-20-23(28)26-21(19(14-30-16(2)27)15-32-24(20)26)25(29)31-22(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,22,24H,1,14-15H2,2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.70E+5	n/a	n/a	n/a	n/a	n/a	n/a
Southern Methodist University Curated by ChEMBL					Assay Description Inhibition of porcine pancreatic elastase				J Med Chem 40: 3423-33 (1997) Article DOI: 10.1021/jm970351x BindingDB Entry DOI: 10.7270/Q22R3QRH
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