Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Matrix metalloproteinase-9' and Ligand = 'BDBM50040579'   

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))	BDBM50040579 ((R)-4-(1,3-Dioxo-1,3-dihydro-benzo[f]isoindol-2-yl...) Show SMILES CC(C)C[C@H](N[C@H](CCN1C(=O)c2cc3ccccc3cc2C1=O)C(O)=O)C(=O)NCc1cccc(F)c1 Show InChI InChI=1S/C29H30FN3O5/c1-17(2)12-25(26(34)31-16-18-6-5-9-21(30)13-18)32-24(29(37)38)10-11-33-27(35)22-14-19-7-3-4-8-20(19)15-23(22)28(33)36/h3-9,13-15,17,24-25,32H,10-12,16H2,1-2H3,(H,31,34)(H,37,38)/t24-,25+/m1/s1	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	15	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Incorporated Research Institute Curated by ChEMBL					Assay Description Activity against human gelatinase (MMP-9).				J Med Chem 37: 674-88 (1994) BindingDB Entry DOI: 10.7270/Q2RV0MRC
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