Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Chymotrypsin-like elastase family member 2A' and Ligand = 'BDBM50073126'   

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)	BDBM50073126 ((S)-2-[3-(4-Cyano-benzoylamino)-2,2-dimethyl-nonan...) Show SMILES CCCCCCC(NC(=O)c1ccc(cc1)C#N)C(C)(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCCC Show InChI InChI=1S/C31H41N3O4/c1-5-7-8-12-15-27(34-28(35)25-18-16-24(22-32)17-19-25)31(3,4)30(37)33-26(29(36)38-20-6-2)21-23-13-10-9-11-14-23/h9-11,13-14,16-19,26-27H,5-8,12,15,20-21H2,1-4H3,(H,33,37)(H,34,35)/t26-,27?/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Steel Corporation Curated by ChEMBL					Assay Description Compound was tested by chromogenic assay for the inhibition of serine proteases like Porcine Elastase				J Med Chem 42: 312-23 (1999) Article DOI: 10.1021/jm980562h BindingDB Entry DOI: 10.7270/Q2930SBF
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