Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Collagenase 3' and Ligand = 'BDBM50138683'   

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
Collagenase 3 (Homo sapiens (Human))	BDBM50138683 ((1-Benzyloxycarbonylamino-2-phenyl-ethyl)-{3-(2-br...) Show SMILES NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CSc1ccccc1Br)CP(O)(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C37H38BrN4O6PS/c38-30-16-8-10-18-33(30)50-24-28(36(44)41-32(35(39)43)20-27-21-40-31-17-9-7-15-29(27)31)23-49(46,47)34(19-25-11-3-1-4-12-25)42-37(45)48-22-26-13-5-2-6-14-26/h1-18,21,28,32,34,40H,19-20,22-24H2,(H2,39,43)(H,41,44)(H,42,45)(H,46,47)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.70E+3	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-13				J Med Chem 47: 325-36 (2004) Article DOI: 10.1021/jm0308491 BindingDB Entry DOI: 10.7270/Q27080V1
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