Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Matrix metalloproteinase-9' and Ligand = 'BDBM50040605'   

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))	BDBM50040605 ((R)-4-(6-Bromo-1,3-dioxo-1H,3H-benzo[de]isoquinoli...) Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)N[C@H](CCN1C(=O)c2cccc3c(Br)ccc(C1=O)c23)C(O)=O Show InChI InChI=1S/C32H35BrN4O6/c1-18(2)16-25(29(39)36-26(28(38)34-3)17-19-8-5-4-6-9-19)35-24(32(42)43)14-15-37-30(40)21-11-7-10-20-23(33)13-12-22(27(20)21)31(37)41/h4-13,18,24-26,35H,14-17H2,1-3H3,(H,34,38)(H,36,39)(H,42,43)/t24-,25+,26+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	28	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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