Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Collagenase 3' and Ligand = 'BDBM50173227'   

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))	BDBM50173227 ((S)-2-(4'-(4-methoxy-3-methylbenzofuran-2-carboxam...) Show SMILES COc1cccc2oc(C(=O)Nc3ccc(cc3)-c3ccc(cc3)S(=O)(=O)N[C@@H](C(C)C)C(O)=O)c(C)c12 Show InChI InChI=1S/C28H28N2O7S/c1-16(2)25(28(32)33)30-38(34,35)21-14-10-19(11-15-21)18-8-12-20(13-9-18)29-27(31)26-17(3)24-22(36-4)6-5-7-23(24)37-26/h5-16,25,30H,1-4H3,(H,29,31)(H,32,33)/t25-/m0/s1	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	9.5	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 19: 4546-50 (2009) Article DOI: 10.1016/j.bmcl.2009.07.008 BindingDB Entry DOI: 10.7270/Q2MW2H6T
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50173227 ((S)-2-(4'-(4-methoxy-3-methylbenzofuran-2-carboxam...) Show SMILES COc1cccc2oc(C(=O)Nc3ccc(cc3)-c3ccc(cc3)S(=O)(=O)N[C@@H](C(C)C)C(O)=O)c(C)c12 Show InChI InChI=1S/C28H28N2O7S/c1-16(2)25(28(32)33)30-38(34,35)21-14-10-19(11-15-21)18-8-12-20(13-9-18)29-27(31)26-17(3)24-22(36-4)6-5-7-23(24)37-26/h5-16,25,30H,1-4H3,(H,29,31)(H,32,33)/t25-/m0/s1	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	9.5	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibitory concentration against MMP-13				Bioorg Med Chem Lett 15: 4961-6 (2005) Article DOI: 10.1016/j.bmcl.2005.08.001 BindingDB Entry DOI: 10.7270/Q20Z72TH
					More data for this Ligand-Target Pair