Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Matrix metalloproteinase-9' and Ligand = 'BDBM50104706'   

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))	BDBM50104706 (CHEMBL111179 | N-[5-(4-Chloro-phenyl)-6H-[1,3,4]th...) Show SMILES C[C@H](NS(=O)(=O)Cc1ccccc1)C(=O)NC1=NN=C(CS1)c1ccc(Cl)cc1 |c:19,t:17| Show InChI InChI=1S/C19H19ClN4O3S2/c1-13(24-29(26,27)12-14-5-3-2-4-6-14)18(25)21-19-23-22-17(11-28-19)15-7-9-16(20)10-8-15/h2-10,13,24H,11-12H2,1H3,(H,21,23,25)/t13-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universität Bielefeld Curated by ChEMBL					Assay Description In vitro inhibition of human matrix metalloprotease-9				J Med Chem 44: 3231-43 (2001) BindingDB Entry DOI: 10.7270/Q2RN3758
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