Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Interstitial collagenase' and Ligand = 'BDBM50128671'   

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
Interstitial collagenase (Homo sapiens (Human))	BDBM50128671 (4-(4-Butoxy-benzenesulfonyl)-1-(2-phenoxy-ethyl)-p...) Show SMILES CCCCOc1ccc(cc1)S(=O)(=O)C1(CCN(CCOc2ccccc2)CC1)C(=O)NO Show InChI InChI=1S/C24H32N2O6S/c1-2-3-18-31-21-9-11-22(12-10-21)33(29,30)24(23(27)25-28)13-15-26(16-14-24)17-19-32-20-7-5-4-6-8-20/h4-12,28H,2-3,13-19H2,1H3,(H,25,27)	PDB MMDB 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	2.90E+3	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-1				J Med Chem 46: 2376-96 (2003) Article DOI: 10.1021/jm0205550 BindingDB Entry DOI: 10.7270/Q2N0178C
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