Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Collagenase 3' and Ligand = 'BDBM50026713'   

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))	BDBM50026713 (CHEMBL1940302) Show SMILES CONC(=O)c1ccc(Oc2ccc(cc2)C#C[C@]2(O)CN3CCC2CC3)cc1 |r,wU:18.19,(12.89,-19.3,;14.23,-18.53,;15.56,-19.31,;16.9,-18.54,;16.91,-17,;18.24,-19.32,;19.58,-18.55,;20.91,-19.33,;20.9,-20.87,;22.23,-21.65,;23.57,-20.88,;23.58,-19.34,;24.92,-18.58,;26.24,-19.36,;26.24,-20.9,;24.91,-21.66,;27.58,-18.6,;28.92,-17.84,;30.24,-17.06,;30.22,-18.58,;30.21,-15.53,;31.53,-14.75,;33.65,-15.18,;33.68,-17.35,;31.56,-17.8,;32.85,-17.02,;32.83,-15.51,;19.56,-21.64,;18.23,-20.87,)| Show InChI InChI=1S/C23H24N2O4/c1-28-24-22(26)18-4-8-21(9-5-18)29-20-6-2-17(3-7-20)10-13-23(27)16-25-14-11-19(23)12-15-25/h2-9,19,27H,11-12,14-16H2,1H3,(H,24,26)/t23-/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	2.51E+3	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