Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neutrophil collagenase' and Ligand = 'BDBM50111990'   

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))	BDBM50111990 (CHEMBL170103 | N-Hydroxy-N'-{(S)-1-((S)-1-phenyl-e...) Show SMILES C[C@H](NC(=O)[C@H](Cc1ccc(NC(=O)Nc2ccccc2)cc1)NC(=O)C(=O)NO)c1ccccc1 Show InChI InChI=1S/C26H27N5O5/c1-17(19-8-4-2-5-9-19)27-23(32)22(30-24(33)25(34)31-36)16-18-12-14-21(15-13-18)29-26(35)28-20-10-6-3-7-11-20/h2-15,17,22,36H,16H2,1H3,(H,27,32)(H,30,33)(H,31,34)(H2,28,29,35)/t17-,22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bielefeld Curated by ChEMBL					Assay Description Tested for its inhibitory activity against neutrophil collagenase (Matrix metalloproteinase-8)				Bioorg Med Chem Lett 12: 933-6 (2002) BindingDB Entry DOI: 10.7270/Q20V8C35
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