Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Disintegrin and metalloproteinase domain-containing protein 17' and Ligand = 'BDBM50106129'   

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
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50106129 (5-Bromo-N-hydroxy-2-{(4-methoxy-benzenesulfonyl)-[...) Show SMILES COc1ccc(cc1)S(=O)(=O)N(CC#CCN1CCN(C)CC1)c1c(C)cc(Br)cc1C(=O)NO Show InChI InChI=1S/C24H29BrN4O5S/c1-18-16-19(25)17-22(24(30)26-31)23(18)29(11-5-4-10-28-14-12-27(2)13-15-28)35(32,33)21-8-6-20(34-3)7-9-21/h6-9,16-17,31H,10-15H2,1-3H3,(H,26,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro inhibition of TNF-alpha converting enzyme.				Bioorg Med Chem Lett 11: 2975-8 (2001) BindingDB Entry DOI: 10.7270/Q2125T64
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