Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Collagenase 3' and Ligand = 'BDBM50026701'   

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))	BDBM50026701 (CHEMBL1940290) Show SMILES O[C@]1(CN2CCC1CC2)C#Cc1ccc(Oc2ccc(cc2)C(=O)NCc2ccc(F)cc2)cc1 |r,wU:1.0,(38.19,-21.08,;38.21,-19.56,;38.18,-18.04,;39.5,-17.26,;41.62,-17.68,;41.65,-19.86,;39.53,-20.3,;40.82,-19.52,;40.8,-18.02,;36.9,-20.35,;35.56,-21.11,;34.22,-21.87,;32.89,-21.08,;31.55,-21.84,;31.54,-23.38,;30.2,-24.15,;28.87,-23.37,;28.89,-21.83,;27.56,-21.06,;26.22,-21.82,;26.21,-23.37,;27.54,-24.14,;24.88,-21.04,;24.89,-19.5,;23.54,-21.81,;22.21,-21.03,;20.87,-21.8,;19.54,-21.02,;18.2,-21.79,;18.19,-23.33,;16.85,-24.1,;19.54,-24.11,;20.87,-23.34,;32.88,-24.16,;34.21,-23.4,)| Show InChI InChI=1S/C29H27FN2O3/c30-25-7-1-22(2-8-25)19-31-28(33)23-5-11-27(12-6-23)35-26-9-3-21(4-10-26)13-16-29(34)20-32-17-14-24(29)15-18-32/h1-12,24,34H,14-15,17-20H2,(H,31,33)/t29-/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	100	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
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