Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Collagenase 3' and Ligand = 'BDBM50128633'   

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))	BDBM50128633 (1-(4-fluorobenzyl)-4-(4-butoxyphenylsulfonyl)-N-hy...) Show SMILES CCCCOc1ccc(cc1)S(=O)(=O)C1(CCN(Cc2ccc(F)cc2)CC1)C(=O)NO Show InChI InChI=1S/C23H29FN2O5S/c1-2-3-16-31-20-8-10-21(11-9-20)32(29,30)23(22(27)25-28)12-14-26(15-13-23)17-18-4-6-19(24)7-5-18/h4-11,28H,2-3,12-17H2,1H3,(H,25,27)	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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