Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Matrix metalloproteinase-9' and Ligand = 'BDBM50040607'   

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))	BDBM50040607 ((R)-4-(1,3-Dioxo-1,3-dihydro-benzo[f]isoindol-2-yl...) Show SMILES CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)N[C@H](CCN1C(=O)c2cc3ccccc3cc2C1=O)C(O)=O Show InChI InChI=1S/C32H36N4O7/c1-18(2)14-26(29(39)35-27(28(38)33-3)15-19-8-10-22(37)11-9-19)34-25(32(42)43)12-13-36-30(40)23-16-20-6-4-5-7-21(20)17-24(23)31(36)41/h4-11,16-18,25-27,34,37H,12-15H2,1-3H3,(H,33,38)(H,35,39)(H,42,43)/t25-,26+,27+/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	3.80	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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