Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Collagenase 3' and Ligand = 'BDBM50247211'   

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))	BDBM50247211 (4-isobutyramido-N-(5-(methoxymethyl)-1,3,4-thiadia...) Show SMILES COCc1nnc(NC(=O)c2ccc(NC(=O)C(C)C)cc2)s1 Show InChI InChI=1S/C15H18N4O3S/c1-9(2)13(20)16-11-6-4-10(5-7-11)14(21)17-15-19-18-12(23-15)8-22-3/h4-7,9H,8H2,1-3H3,(H,16,20)(H,17,19,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.53E+4	n/a	n/a	n/a	n/a	n/a	n/a
Florida Atlantic University Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP13 expressed in Escherichia coli				Bioorg Med Chem 17: 990-1005 (2009) Article DOI: 10.1016/j.bmc.2008.03.004 BindingDB Entry DOI: 10.7270/Q2GB24ZC
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50247211 (4-isobutyramido-N-(5-(methoxymethyl)-1,3,4-thiadia...) Show SMILES COCc1nnc(NC(=O)c2ccc(NC(=O)C(C)C)cc2)s1 Show InChI InChI=1S/C15H18N4O3S/c1-9(2)13(20)16-11-6-4-10(5-7-11)14(21)17-15-19-18-12(23-15)8-22-3/h4-7,9H,8H2,1-3H3,(H,16,20)(H,17,19,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.53E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2JW8C95
					More data for this Ligand-Target Pair