Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Collagenase 3' and Ligand = 'BDBM50025169'   

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))	BDBM50025169 (CHEMBL3337871) Show SMILES COc1cccc(CNC(=O)c2nc3ccc(C)cc3c(=O)[nH]2)c1 Show InChI InChI=1S/C18H17N3O3/c1-11-6-7-15-14(8-11)17(22)21-16(20-15)18(23)19-10-12-4-3-5-13(9-12)24-2/h3-9H,10H2,1-2H3,(H,19,23)(H,20,21,22)	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	26	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP13 using Cy3-PLGLK(Cy5Q)AR-NH2 as substrate after 40 mins by spectrofluorimetry				J Med Chem 57: 8886-902 (2014) Article DOI: 10.1021/jm500981k BindingDB Entry DOI: 10.7270/Q28P628P
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50025169 (CHEMBL3337871) Show SMILES COc1cccc(CNC(=O)c2nc3ccc(C)cc3c(=O)[nH]2)c1 Show InChI InChI=1S/C18H17N3O3/c1-11-6-7-15-14(8-11)17(22)21-16(20-15)18(23)19-10-12-4-3-5-13(9-12)24-2/h3-9H,10H2,1-2H3,(H,19,23)(H,20,21,22)	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	26	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP13 catalytic domain using fluorescence peptide Cy3-PLGLK(Cy5Q)AR-NH2 substrate by fluorescence assay				Bioorg Med Chem 22: 5487-505 (2014) Article DOI: 10.1016/j.bmc.2014.07.025 BindingDB Entry DOI: 10.7270/Q27S7QBJ
					More data for this Ligand-Target Pair