Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Collagenase 3' and Ligand = 'BDBM28486'   

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))	BDBM28486 ((2R)-3-methyl-2-{8-oxatricyclo[7.4.0.0^{2,7}]tride...) Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc2oc3ccccc3c2c1)C(O)=O |r| Show InChI InChI=1S/C17H17NO5S/c1-10(2)16(17(19)20)18-24(21,22)11-7-8-15-13(9-11)12-5-3-4-6-14(12)23-15/h3-10,16,18H,1-2H3,(H,19,20)/t16-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP13				J Med Chem 52: 5408-19 (2009) Article DOI: 10.1021/jm900809r BindingDB Entry DOI: 10.7270/Q21J99SW
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM28486 ((2R)-3-methyl-2-{8-oxatricyclo[7.4.0.0^{2,7}]tride...) Show SMILES CC(C)[C@@H](NS(=O)(=O)c1ccc2oc3ccccc3c2c1)C(O)=O |r| Show InChI InChI=1S/C17H17NO5S/c1-10(2)16(17(19)20)18-24(21,22)11-7-8-15-13(9-11)12-5-3-4-6-14(12)23-15/h3-10,16,18H,1-2H3,(H,19,20)/t16-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research					Assay Description The assays for human MMP activity were performed by incubating fluorogenic peptide substrate with recombinant human MMP catalytic domain along with v...				J Med Chem 52: 1799-802 (2009) Article DOI: 10.1021/jm900093d BindingDB Entry DOI: 10.7270/Q2X928NP
					More data for this Ligand-Target Pair