Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Collagenase 3' and Ligand = 'BDBM50418805'   

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))	BDBM50418805 (CHEMBL1796297) Show SMILES O[C@@]1(CN2CCC1CC2)C#Cc1ccc(Oc2ccc(cc2)C(=O)NCc2ccncc2)cc1 |r,wU:1.10,wD:1.0,(30.35,-41.84,;29.6,-43.18,;31.13,-43.17,;31.91,-44.5,;31.14,-45.84,;29.6,-45.84,;28.83,-44.51,;30.15,-43.73,;30.55,-45.21,;28.83,-41.84,;28.05,-40.52,;27.28,-39.18,;25.74,-39.18,;24.97,-37.85,;25.75,-36.52,;24.98,-35.18,;23.43,-35.18,;22.67,-36.51,;21.13,-36.51,;20.36,-35.18,;21.12,-33.85,;22.67,-33.85,;18.82,-35.19,;18.05,-33.86,;18.05,-36.53,;16.51,-36.53,;15.74,-35.2,;16.51,-33.86,;15.74,-32.53,;14.19,-32.54,;13.43,-33.88,;14.21,-35.21,;27.28,-36.51,;28.05,-37.84,)| Show InChI InChI=1S/C28H27N3O3/c32-27(30-19-22-10-15-29-16-11-22)23-3-7-26(8-4-23)34-25-5-1-21(2-6-25)9-14-28(33)20-31-17-12-24(28)13-18-31/h1-8,10-11,15-16,24,33H,12-13,17-20H2,(H,30,32)/t28-/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	316	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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