Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Matrix metalloproteinase-9' and Ligand = 'BDBM50450294'   

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))	BDBM50450294 (CHEMBL4168115) Show SMILES CNC(=O)[C@@H](NC(=O)c1ccc(o1)-c1ccc(CSc2nc3ccccc3c(=O)[nH]2)c(F)c1)C(C)C |r| Show InChI InChI=1S/C26H25FN4O4S/c1-14(2)22(25(34)28-3)30-24(33)21-11-10-20(35-21)15-8-9-16(18(27)12-15)13-36-26-29-19-7-5-4-6-17(19)23(32)31-26/h4-12,14,22H,13H2,1-3H3,(H,28,34)(H,30,33)(H,29,31,32)/t22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Graz University of Technology Curated by ChEMBL					Assay Description Inhibition of recombinant human MMP9 using fTHP-15 as substrate preincubated for 30 mins followed by substrate addition by fluorescence assay				Bioorg Med Chem 26: 4984-4995 (2018) Article DOI: 10.1016/j.bmc.2018.08.020 BindingDB Entry DOI: 10.7270/Q25141SR
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