Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Interstitial collagenase' and Ligand = 'BDBM50128662'   

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))	BDBM50128662 (1-Ethyl-4-(4-methoxy-benzenesulfonyl)-piperidine-4...) Show SMILES CCN1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(OC)cc1 Show InChI InChI=1S/C15H22N2O5S/c1-3-17-10-8-15(9-11-17,14(18)16-19)23(20,21)13-6-4-12(22-2)5-7-13/h4-7,19H,3,8-11H2,1-2H3,(H,16,18)	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	3.68E+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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