Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Collagenase 3' and Ligand = 'BDBM50096477'   

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))	BDBM50096477 (3-[Benzyl-(4-methoxy-benzenesulfonyl)-amino]-N-hyd...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)c1c(OC)nc(OC)cc1C(=O)NO Show InChI InChI=1S/C22H23N3O7S/c1-30-16-9-11-17(12-10-16)33(28,29)25(14-15-7-5-4-6-8-15)20-18(21(26)24-27)13-19(31-2)23-22(20)32-3/h4-13,27H,14H2,1-3H3,(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	Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
Indian Institute of Technology (BHU) Curated by ChEMBL					Assay Description Inhibition of MMP13 (unknown origin)				Eur J Med Chem 60: 89-100 (2013) Article DOI: 10.1016/j.ejmech.2012.10.016 BindingDB Entry DOI: 10.7270/Q2MC91CR
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50096477 (3-[Benzyl-(4-methoxy-benzenesulfonyl)-amino]-N-hyd...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)c1c(OC)nc(OC)cc1C(=O)NO Show InChI InChI=1S/C22H23N3O7S/c1-30-16-9-11-17(12-10-16)33(28,29)25(14-15-7-5-4-6-8-15)20-18(21(26)24-27)13-19(31-2)23-22(20)32-3/h4-13,27H,14H2,1-3H3,(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	PubMed	n/a	n/a	47	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: 239-42 (2001) BindingDB Entry DOI: 10.7270/Q2PR7WHJ
					More data for this Ligand-Target Pair