Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Matrix metalloproteinase-9' and Ligand = 'BDBM50138686'   

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))	BDBM50138686 ((1-Benzyloxycarbonylamino-2-phenyl-ethyl)-[2-[1-ca...) Show SMILES NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CSc1ccccc1OC(F)(F)F)CP(O)(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C38H38F3N4O7PS/c39-38(40,41)52-32-17-9-10-18-33(32)54-24-28(36(47)44-31(35(42)46)20-27-21-43-30-16-8-7-15-29(27)30)23-53(49,50)34(19-25-11-3-1-4-12-25)45-37(48)51-22-26-13-5-2-6-14-26/h1-18,21,28,31,34,43H,19-20,22-24H2,(H2,42,46)(H,44,47)(H,45,48)(H,49,50)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.48E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Athens Curated by ChEMBL					Assay Description Inhibition of Matrix metalloprotease-9				J Med Chem 47: 325-36 (2004) Article DOI: 10.1021/jm0308491 BindingDB Entry DOI: 10.7270/Q27080V1
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