Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Collagenase 3' and Ligand = 'BDBM50026723'   

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))	BDBM50026723 (CHEMBL1940305) Show SMILES C[S+]([O-])c1ccc(Oc2ccc(cc2)C#C[C@]2(O)CN3CCC2CC3)cc1 |r,wU:16.17,(11.35,-28.24,;12.68,-27.46,;12.68,-25.92,;14.02,-28.23,;15.36,-27.46,;16.7,-28.23,;16.69,-29.77,;18.03,-30.53,;19.37,-29.76,;19.37,-28.22,;20.7,-27.45,;22.03,-28.22,;22.04,-29.76,;20.71,-30.53,;23.37,-27.45,;24.7,-26.68,;26.01,-25.89,;26,-27.41,;25.97,-24.36,;27.29,-23.57,;29.41,-23.98,;29.46,-26.16,;27.34,-26.62,;28.63,-25.83,;28.6,-24.32,;15.37,-30.54,;14.03,-29.78,)| Show InChI InChI=1S/C22H23NO3S/c1-27(25)21-8-6-20(7-9-21)26-19-4-2-17(3-5-19)10-13-22(24)16-23-14-11-18(22)12-15-23/h2-9,18,24H,11-12,14-16H2,1H3/t22-,27?/m0/s1	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	398	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human MMP13 using Mca-Pro-cyclohexyl-Ala-Gly-Nva-His-Ala- Dap(Dnp)-NH2 as substrate by fluorometric analysis				Bioorg Med Chem Lett 22: 271-7 (2011) Article DOI: 10.1016/j.bmcl.2011.11.034 BindingDB Entry DOI: 10.7270/Q20R9PTN
					More data for this Ligand-Target Pair