Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Collagenase 3' and Ligand = 'BDBM50128667'   

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))	BDBM50128667 (1-Benzyl-4-(4-butoxy-benzenesulfonyl)-piperidine-4...) Show SMILES CCCCOc1ccc(cc1)S(=O)(=O)C1(CCN(Cc2ccccc2)CC1)C(=O)NO Show InChI InChI=1S/C23H30N2O5S/c1-2-3-17-30-20-9-11-21(12-10-20)31(28,29)23(22(26)24-27)13-15-25(16-14-23)18-19-7-5-4-6-8-19/h4-12,27H,2-3,13-18H2,1H3,(H,24,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description In vitro inhibitory activity against matrix metalloprotease-13.				J Med Chem 46: 2376-96 (2003) Article DOI: 10.1021/jm0205550 BindingDB Entry DOI: 10.7270/Q2N0178C
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50128667 (1-Benzyl-4-(4-butoxy-benzenesulfonyl)-piperidine-4...) Show SMILES CCCCOc1ccc(cc1)S(=O)(=O)C1(CCN(Cc2ccccc2)CC1)C(=O)NO Show InChI InChI=1S/C23H30N2O5S/c1-2-3-17-30-20-9-11-21(12-10-20)31(28,29)23(22(26)24-27)13-15-25(16-14-23)18-19-7-5-4-6-8-19/h4-12,27H,2-3,13-18H2,1H3,(H,24,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars		n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair