Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Collagenase 3' and Ligand = 'BDBM50026698'   

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))	BDBM50026698 (CHEMBL1940307) Show SMILES CNS(=O)(=O)c1ccc(Oc2ccc(cc2)C#C[C@]2(O)CN3CCC2CC3)cc1 |r,wU:18.19,(-9.92,-53.89,;-8.59,-54.67,;-7.26,-53.89,;-8.04,-52.55,;-6.49,-52.55,;-5.92,-54.68,;-4.57,-53.91,;-3.24,-54.69,;-3.26,-56.23,;-1.93,-57.01,;-.59,-56.24,;-.57,-54.7,;.76,-53.94,;2.09,-54.72,;2.09,-56.26,;.75,-57.02,;3.43,-53.96,;4.77,-53.2,;6.08,-52.42,;6.07,-53.94,;6.06,-50.89,;7.37,-50.11,;9.5,-50.54,;9.53,-52.71,;7.4,-53.16,;8.7,-52.38,;8.68,-50.87,;-4.59,-57,;-5.92,-56.23,)| Show InChI InChI=1S/C22H24N2O4S/c1-23-29(26,27)21-8-6-20(7-9-21)28-19-4-2-17(3-5-19)10-13-22(25)16-24-14-11-18(22)12-15-24/h2-9,18,23,25H,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	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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