Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Collagenase 3' and Ligand = 'BDBM50095218'   

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))	BDBM50095218 (CHEMBL310008 | N-Hydroxy-2-[4-(4-trifluoromethoxy-...) Show SMILES ONC(=O)c1ccccc1S(=O)(=O)N1CCC(CC1)Oc1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C19H19F3N2O6S/c20-19(21,22)30-15-7-5-13(6-8-15)29-14-9-11-24(12-10-14)31(27,28)17-4-2-1-3-16(17)18(25)23-26/h1-8,14,26H,9-12H2,(H,23,25)	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	33	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))	BDBM50095218 (CHEMBL310008 | N-Hydroxy-2-[4-(4-trifluoromethoxy-...) Show SMILES ONC(=O)c1ccccc1S(=O)(=O)N1CCC(CC1)Oc1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C19H19F3N2O6S/c20-19(21,22)30-15-7-5-13(6-8-15)29-14-9-11-24(12-10-14)31(27,28)17-4-2-1-3-16(17)18(25)23-26/h1-8,14,26H,9-12H2,(H,23,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia Curated by ChEMBL					Assay Description 50 percent inhibition of human Matrix metalloprotease-13 by the cleavage of fluorogenic peptide MCA-Pro-Leu-Gly-Leu-Dpa-ala-Arg-NH2				Bioorg Med Chem Lett 10: 2815-7 (2000) BindingDB Entry DOI: 10.7270/Q2ZK5H6Z
					More data for this Ligand-Target Pair