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 = 'BDBM50313851'   

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))	BDBM50313851 ((+/-)-5-(4-fluorophenyl)-5-((5-((2-methylquinolin-...) Show SMILES Cc1cc(COc2ccc3C(=O)N(CC4(NC(=O)NC4=O)c4ccc(F)cc4)Cc3c2)c2ccccc2n1 Show InChI InChI=1S/C29H23FN4O4/c1-17-12-19(23-4-2-3-5-25(23)31-17)15-38-22-10-11-24-18(13-22)14-34(26(24)35)16-29(27(36)32-28(37)33-29)20-6-8-21(30)9-7-20/h2-13H,14-16H2,1H3,(H2,32,33,36,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of TACE by FRET assay				Bioorg Med Chem Lett 20: 1877-80 (2010) Article DOI: 10.1016/j.bmcl.2010.01.148 BindingDB Entry DOI: 10.7270/Q2F76CQ9
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