Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Collagenase 3' and Ligand = 'BDBM50128639'   

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))	BDBM50128639 (1-(3,4-dichlorobenzyl)-4-(4-butoxyphenylsulfonyl)-...) Show SMILES CCCCOc1ccc(cc1)S(=O)(=O)C1(CCN(Cc2ccc(Cl)c(Cl)c2)CC1)C(=O)NO Show InChI InChI=1S/C23H28Cl2N2O5S/c1-2-3-14-32-18-5-7-19(8-6-18)33(30,31)23(22(28)26-29)10-12-27(13-11-23)16-17-4-9-20(24)21(25)15-17/h4-9,15,29H,2-3,10-14,16H2,1H3,(H,26,28)	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	5	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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