Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Collagenase 3' and Ligand = 'BDBM50213941'   

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))	BDBM50213941 (1-benzoyl-3-((4-(but-2-ynyloxy)phenylsulfonyl)meth...) Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCCN(C1)C(=O)c1ccccc1)C(=O)NO |w:15.15| Show InChI InChI=1S/C24H26N2O6S/c1-2-3-16-32-20-10-12-21(13-11-20)33(30,31)18-24(23(28)25-29)14-7-15-26(17-24)22(27)19-8-5-4-6-9-19/h4-6,8-13,29H,7,14-18H2,1H3,(H,25,28)	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	840	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of MMP13				Bioorg Med Chem Lett 17: 4333-7 (2007) Article DOI: 10.1016/j.bmcl.2007.05.022 BindingDB Entry DOI: 10.7270/Q2CN73K3
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