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 = 'BDBM50113029'   

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))	BDBM50113029 ((2R,4R)-1-[4-(4-Fluoro-phenoxy)-benzenesulfonyl]-2...) Show SMILES COC(=O)[C@@H]1CCN([C@H](C1)C(=O)NO)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1 Show InChI InChI=1S/C20H21FN2O7S/c1-29-20(25)13-10-11-23(18(12-13)19(24)22-26)31(27,28)17-8-6-16(7-9-17)30-15-4-2-14(21)3-5-15/h2-9,13,18,26H,10-12H2,1H3,(H,22,24)/t13-,18-/m1/s1	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	120	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibitory concentration against recombinant tumor necrosis factor alpha converting enzyme				Bioorg Med Chem Lett 12: 1387-90 (2002) BindingDB Entry DOI: 10.7270/Q2GQ6X30
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