Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Matrilysin' and Ligand = 'BDBM50072579'   

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
Matrilysin (Homo sapiens (Human))	BDBM50072579 ((8S,9R,12S)-12-Benzoyl-9-isobutyl-10-oxo-2-oxa-11-...) Show SMILES CC(C)C[C@@H]1[C@H](CCCCCOc2ccc(C[C@H](NC1=O)C(=O)c1ccccc1)cc2)C(=O)NO Show InChI InChI=1S/C28H36N2O5/c1-19(2)17-24-23(28(33)30-34)11-7-4-8-16-35-22-14-12-20(13-15-22)18-25(29-27(24)32)26(31)21-9-5-3-6-10-21/h3,5-6,9-10,12-15,19,23-25,34H,4,7-8,11,16-18H2,1-2H3,(H,29,32)(H,30,33)/t23-,24+,25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratory Curated by ChEMBL					Assay Description In vitro inhibitory activity against human recombinant matrix metalloproteinase 7				Bioorg Med Chem Lett 8: 3251-6 (1999) BindingDB Entry DOI: 10.7270/Q289152J
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