Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Collagenase 3' and Ligand = 'BDBM50418822'   

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))	BDBM50418822 (CHEMBL1796303) Show SMILES O=C(NCc1ccncn1)c1ccc(Oc2ccc(\C=C\C3=CN4CCC3CC4)cc2)cc1 |t:22,(15.03,-12.26,;15.81,-13.59,;15.04,-14.93,;13.5,-14.94,;12.72,-13.6,;13.5,-12.27,;12.73,-10.94,;11.18,-10.94,;10.42,-12.29,;11.19,-13.61,;17.35,-13.59,;18.12,-14.91,;19.66,-14.91,;20.42,-13.59,;21.96,-13.59,;22.73,-14.92,;21.96,-16.25,;22.73,-17.59,;24.27,-17.59,;25.04,-18.91,;26.58,-18.9,;27.35,-20.24,;28.88,-20.23,;29.65,-21.56,;28.88,-22.91,;27.34,-22.91,;26.57,-21.57,;27.9,-20.79,;28.29,-22.28,;25.04,-16.24,;24.27,-14.91,;19.65,-12.25,;18.11,-12.26,)| Show InChI InChI=1S/C27H26N4O2/c32-27(29-17-24-11-14-28-19-30-24)22-5-9-26(10-6-22)33-25-7-2-20(3-8-25)1-4-23-18-31-15-12-21(23)13-16-31/h1-11,14,18-19,21H,12-13,15-17H2,(H,29,32)/b4-1+	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	501	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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