Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Matrix metalloproteinase-9' and Ligand = 'BDBM50107580'   

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))	BDBM50107580 ((R)-N*4*-Hydroxy-N*1*-((1S,2R)-2-hydroxy-indan-1-y...) Show SMILES CC(C)c1cccc(c1)-c1ccc(C[C@H](CC(=O)NO)C(=O)N[C@@H]2[C@H](O)Cc3ccccc23)cc1 Show InChI InChI=1S/C29H32N2O4/c1-18(2)21-7-5-8-22(15-21)20-12-10-19(11-13-20)14-24(17-27(33)31-35)29(34)30-28-25-9-4-3-6-23(25)16-26(28)32/h3-13,15,18,24,26,28,32,35H,14,16-17H2,1-2H3,(H,30,34)(H,31,33)/t24-,26-,28+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	87	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharma Company Curated by ChEMBL					Assay Description Binding affinity for human gelatinase B (MMP-9)				Bioorg Med Chem Lett 12: 101-4 (2001) BindingDB Entry DOI: 10.7270/Q2R49Q1C
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