Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Matrilysin' and Ligand = 'BDBM50071261'   

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))	BDBM50071261 ((8S,9R,12S)-9-Isobutyl-12-methylcarbamoyl-10-oxo-2...) Show SMILES CNC(=O)[C@@H]1Cc2ccc(OCCCCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(O)=O)cc2 Show InChI InChI=1S/C23H34N2O5/c1-15(2)13-19-18(23(28)29)7-5-4-6-12-30-17-10-8-16(9-11-17)14-20(22(27)24-3)25-21(19)26/h8-11,15,18-20H,4-7,12-14H2,1-3H3,(H,24,27)(H,25,26)(H,28,29)/t18-,19+,20-/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	110	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of fibroblast matrilysin (MMP-7)				Bioorg Med Chem Lett 8: 2087-92 (1999) BindingDB Entry DOI: 10.7270/Q2MW2G89
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