Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Matrix metalloproteinase-9' and Ligand = 'BDBM50119281'   

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
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50119281 (CHEMBL3617405) Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N(OC(C)C)[C@H](CCNC(=O)Cc1ccccc1)C(=O)NO |r| Show InChI InChI=1S/C28H33N3O7S/c1-20(2)38-31(26(28(33)30-34)17-18-29-27(32)19-21-7-5-4-6-8-21)39(35,36)25-15-11-23(12-16-25)22-9-13-24(37-3)14-10-22/h4-16,20,26,34H,17-19H2,1-3H3,(H,29,32)(H,30,33)/t26-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Pisa Curated by ChEMBL					Assay Description Inhibition of recombinant human activated-MMP9 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as fluorogenic substrate incubated for 4 hrs follow...				J Med Chem 58: 7224-40 (2015) Article DOI: 10.1021/acs.jmedchem.5b00367 BindingDB Entry DOI: 10.7270/Q2DV1MPR
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