Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Collagenase 3' and Ligand = 'BDBM50026721'   

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))	BDBM50026721 (CHEMBL1940306) Show SMILES CS(=O)(=O)c1ccc(Oc2ccc(cc2)C#C[C@]2(O)CN3CCC2CC3)cc1 |r,wU:17.18,(15.56,-42.1,;16.89,-41.33,;16.11,-39.99,;17.66,-39.99,;18.23,-42.12,;19.57,-41.35,;20.91,-42.13,;20.89,-43.67,;22.22,-44.45,;23.56,-43.68,;23.58,-42.14,;24.91,-41.38,;26.24,-42.16,;26.24,-43.7,;24.9,-44.46,;27.58,-41.4,;28.92,-40.64,;30.24,-39.86,;30.22,-41.37,;30.21,-38.33,;31.53,-37.55,;33.65,-37.97,;33.68,-40.15,;31.56,-40.59,;32.85,-39.82,;32.83,-38.31,;19.56,-44.44,;18.23,-43.67,)| Show InChI InChI=1S/C22H23NO4S/c1-28(25,26)21-8-6-20(7-9-21)27-19-4-2-17(3-5-19)10-13-22(24)16-23-14-11-18(22)12-15-23/h2-9,18,24H,11-12,14-16H2,1H3/t22-/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	316	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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