Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Collagenase 3' and Ligand = 'BDBM50103174'   

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))	BDBM50103174 (5-Bromo-2-{[4-(4-tert-butyl-phenoxy)-benzenesulfon...) Show SMILES CN(c1c(C)cc(Br)cc1C(=O)NO)S(=O)(=O)c1ccc(Oc2ccc(cc2)C(C)(C)C)cc1 Show InChI InChI=1S/C25H27BrN2O5S/c1-16-14-18(26)15-22(24(29)27-30)23(16)28(5)34(31,32)21-12-10-20(11-13-21)33-19-8-6-17(7-9-19)25(2,3)4/h6-15,30H,1-5H3,(H,27,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibition of matrix metalloprotease-13				Bioorg Med Chem Lett 11: 2189-92 (2001) BindingDB Entry DOI: 10.7270/Q2154HK0
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