Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Collagenase 3' and Ligand = 'BDBM50418806'   

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))	BDBM50418806 (CHEMBL1796299) Show SMILES O[C@@]1(CN2CCC1CC2)C#Cc1ccc(Oc2ccc(cc2)C(=O)NCc2ccncn2)cc1 |r,wU:1.10,wD:1.0,(17.03,-2.51,;16.27,-3.86,;17.81,-3.85,;18.58,-5.18,;17.81,-6.52,;16.27,-6.52,;15.5,-5.19,;16.82,-4.4,;17.22,-5.89,;15.5,-2.52,;14.73,-1.19,;13.96,.14,;12.41,.14,;11.64,1.48,;12.42,2.81,;11.65,4.14,;10.11,4.14,;9.34,2.81,;7.8,2.82,;7.03,4.14,;7.79,5.47,;9.34,5.47,;5.49,4.13,;4.72,5.47,;4.73,2.8,;3.18,2.79,;2.41,4.13,;3.18,5.46,;2.41,6.79,;.87,6.79,;.1,5.44,;.88,4.11,;13.95,2.81,;14.73,1.49,)| Show InChI InChI=1S/C27H26N4O3/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,11-12,15-18H2,(H,29,32)/t27-/m1/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 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
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