Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Collagenase 3' and Ligand = 'BDBM50126600'   

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))	BDBM50126600 (1,3-Dimethyl-4-{methyl-[4-(pyridin-4-yloxy)-benzen...) Show SMILES CN(c1c(cnc2n(C)nc(C)c12)C(=O)NO)S(=O)(=O)c1ccc(Oc2ccncc2)cc1 Show InChI InChI=1S/C21H20N6O5S/c1-13-18-19(17(21(28)25-29)12-23-20(18)26(2)24-13)27(3)33(30,31)16-6-4-14(5-7-16)32-15-8-10-22-11-9-15/h4-12,29H,1-3H3,(H,25,28)	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	1	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibitory activity against matrix metalloproteinase 13 (MMP-13).				Bioorg Med Chem Lett 13: 1487-90 (2003) BindingDB Entry DOI: 10.7270/Q29W0DW0
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