Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Collagenase 3' and Ligand = 'BDBM50418825'   

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))	BDBM50418825 (CHEMBL1796300) Show SMILES OC1(CCc2ccc(Oc3ccc(cc3)C(=O)NCc3ccncn3)cc2)CN2CCC1CC2 |(30.38,-.34,;29.62,-1.68,;28.85,-.34,;27.32,-.35,;26.55,.97,;25,.98,;24.23,2.31,;25.01,3.64,;24.24,4.98,;22.7,4.98,;21.93,3.65,;20.39,3.65,;19.62,4.97,;20.38,6.3,;21.93,6.31,;18.08,4.97,;17.31,6.3,;17.32,3.63,;15.77,3.63,;15,4.96,;15.77,6.29,;15,7.64,;13.46,7.62,;12.69,6.27,;13.47,4.95,;26.54,3.65,;27.32,2.32,;31.16,-1.67,;31.93,-3,;31.16,-4.35,;29.62,-4.35,;28.85,-3.01,;30.17,-2.23,;30.57,-3.72,)| Show InChI InChI=1S/C27H30N4O3/c32-26(29-17-23-10-14-28-19-30-23)21-3-7-25(8-4-21)34-24-5-1-20(2-6-24)9-13-27(33)18-31-15-11-22(27)12-16-31/h1-8,10,14,19,22,33H,9,11-13,15-18H2,(H,29,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	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 human recombinant MMP13 using Mca-Pro-cyclohexyl-Ala-Gly-Nva-His-Ala-Dap(Dnp)-NH2 substrate				Bioorg Med Chem Lett 21: 4215-9 (2011) Article DOI: 10.1016/j.bmcl.2011.05.075 BindingDB Entry DOI: 10.7270/Q2WH2R89
					More data for this Ligand-Target Pair