Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Collagenase 3' and Ligand = 'BDBM50128660'   

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))	BDBM50128660 (4-(4-Methoxy-benzenesulfonyl)-1-(3-phenyl-propyl)-...) Show SMILES COc1ccc(cc1)S(=O)(=O)C1(CCN(CCCc2ccccc2)CC1)C(=O)NO Show InChI InChI=1S/C22H28N2O5S/c1-29-19-9-11-20(12-10-19)30(27,28)22(21(25)23-26)13-16-24(17-14-22)15-5-8-18-6-3-2-4-7-18/h2-4,6-7,9-12,26H,5,8,13-17H2,1H3,(H,23,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description In vitro inhibitory activity against matrix metalloprotease-13.				J Med Chem 46: 2376-96 (2003) Article DOI: 10.1021/jm0205550 BindingDB Entry DOI: 10.7270/Q2N0178C
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