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 = 'BDBM50082999'   

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))	BDBM50082999 ((2S,3S)-2-(3,4-Dimethoxy-phenylsulfanyl)-N*4*-((S)...) Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](Sc1ccc(OC)c(OC)c1)C(=O)NO)C(C)(C)C Show InChI InChI=1S/C23H37N3O6S/c1-13(2)11-15(20(27)25-19(22(29)24-6)23(3,4)5)18(21(28)26-30)33-14-9-10-16(31-7)17(12-14)32-8/h9-10,12-13,15,18-19,30H,11H2,1-8H3,(H,24,29)(H,25,27)(H,26,28)/t15-,18+,19-/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	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Centre de Recherches Curated by ChEMBL					Assay Description Inhibitory activity against Tumor necrosis factor alpha-converting enzyme (TACE) in blood.				J Med Chem 42: 4890-908 (1999) BindingDB Entry DOI: 10.7270/Q2HM57NS
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