Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Matrix metalloproteinase-9' and Ligand = 'BDBM50040600'   

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))	BDBM50040600 ((R)-4-(1,3-Dioxo-5-phenyl-1,3-dihydro-isoindol-2-y...) Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)N[C@H](CCN1C(=O)c2ccc(cc2C1=O)-c1ccccc1)C(O)=O Show InChI InChI=1S/C34H38N4O6/c1-21(2)18-28(31(40)37-29(30(39)35-3)19-22-10-6-4-7-11-22)36-27(34(43)44)16-17-38-32(41)25-15-14-24(20-26(25)33(38)42)23-12-8-5-9-13-23/h4-15,20-21,27-29,36H,16-19H2,1-3H3,(H,35,39)(H,37,40)(H,43,44)/t27-,28+,29+/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	4.5	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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