Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Matrix metalloproteinase-9' and Ligand = 'BDBM50424984'   

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))	BDBM50424984 (CHEMBL2311777) Show SMILES O=C(CCCCCC(=O)N1CCCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1)N1CCCN(CC1)C1(C(=O)NC(=O)NC1=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C49H52N8O10/c58-40(54-26-10-28-56(32-30-54)48(42(60)50-46(64)51-43(48)61)34-18-22-38(23-19-34)66-36-12-4-1-5-13-36)16-8-3-9-17-41(59)55-27-11-29-57(33-31-55)49(44(62)52-47(65)53-45(49)63)35-20-24-39(25-21-35)67-37-14-6-2-7-15-37/h1-2,4-7,12-15,18-25H,3,8-11,16-17,26-33H2,(H2,50,51,60,61,64)(H2,52,53,62,63,65)	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	121	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP-9 after 45 mins by fluorogenic assay				Bioorg Med Chem Lett 23: 444-7 (2012) Article DOI: 10.1016/j.bmcl.2012.11.063 BindingDB Entry DOI: 10.7270/Q2J104H9
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