Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neutrophil collagenase' and Ligand = 'BDBM50268316'   

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
Neutrophil collagenase (Homo sapiens (Human))	BDBM50268316 (CHEMBL4080186) Show SMILES O=C(NCc1ccc2OCC(=O)Nc2c1)c1nc2scc(C3CCCCC3)c2c(=O)[nH]1 Show InChI InChI=1S/C22H22N4O4S/c27-17-10-30-16-7-6-12(8-15(16)24-17)9-23-21(29)19-25-20(28)18-14(11-31-22(18)26-19)13-4-2-1-3-5-13/h6-8,11,13H,1-5,9-10H2,(H,23,29)(H,24,27)(H,25,26,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Chemistry and Biochemistry, University of Notre Dame, Notre Dame, Indiana 46556, United States. Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP-8 catalytic domain (99 to 269 residues) expressed in Escherichia coli using fluorogenic Mca-KPLGL-Dpa-AR-NH2 as s...				ACS Med Chem Lett 8: 654-659 (2017) Article DOI: 10.1021/acsmedchemlett.7b00130 BindingDB Entry DOI: 10.7270/Q2MS3W8M
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