Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Collagenase 3' and Ligand = 'BDBM50106136'   

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))	BDBM50106136 (2-{[4-(4-Chloro-phenoxy)-benzenesulfonyl]-methyl-a...) Show SMILES CN(c1c(CN2CCN(C)CC2)cccc1C(=O)NO)S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C26H29ClN4O5S/c1-29-14-16-31(17-15-29)18-19-4-3-5-24(26(32)28-33)25(19)30(2)37(34,35)23-12-10-22(11-13-23)36-21-8-6-20(27)7-9-21/h3-13,33H,14-18H2,1-2H3,(H,28,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.800	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))	BDBM50106136 (2-{[4-(4-Chloro-phenoxy)-benzenesulfonyl]-methyl-a...) Show SMILES CN(c1c(CN2CCN(C)CC2)cccc1C(=O)NO)S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C26H29ClN4O5S/c1-29-14-16-31(17-15-29)18-19-4-3-5-24(26(32)28-33)25(19)30(2)37(34,35)23-12-10-22(11-13-23)36-21-8-6-20(27)7-9-21/h3-13,33H,14-18H2,1-2H3,(H,28,32)	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	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibition of Matrix metalloprotease-13.				Bioorg Med Chem Lett 11: 2975-8 (2001) BindingDB Entry DOI: 10.7270/Q2125T64
					More data for this Ligand-Target Pair