Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Matrix metalloproteinase-9' and Ligand = 'BDBM50106131'   

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))	BDBM50106131 (CHEMBL100777 | N-Hydroxy-2-[(4-methoxy-benzenesulf...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(C)c1c(CN2CCN(C)CC2)cc(cc1C(=O)NO)-c1ccc2ccccc2c1 Show InChI InChI=1S/C31H34N4O5S/c1-33-14-16-35(17-15-33)21-26-19-25(24-9-8-22-6-4-5-7-23(22)18-24)20-29(31(36)32-37)30(26)34(2)41(38,39)28-12-10-27(40-3)11-13-28/h4-13,18-20,37H,14-17,21H2,1-3H3,(H,32,36)	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	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibition of Matrix metalloprotease-9.				Bioorg Med Chem Lett 11: 2975-8 (2001) BindingDB Entry DOI: 10.7270/Q2125T64
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