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 = 'BDBM50332277'   

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))	BDBM50332277 ((R)-5-((4-((S)-1-aminoethyl)phenyl)ethynyl)-5-((6-...) Show SMILES COc1ccc2CN(C[C@]3(NC(=O)NC3=O)C#Cc3ccc(cc3)[C@H](C)N)C(=O)c2c1 |r| Show InChI InChI=1S/C23H22N4O4/c1-14(24)16-5-3-15(4-6-16)9-10-23(21(29)25-22(30)26-23)13-27-12-17-7-8-18(31-2)11-19(17)20(27)28/h3-8,11,14H,12-13,24H2,1-2H3,(H2,25,26,29,30)/t14-,23+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.40	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				Bioorg Med Chem Lett 20: 7283-7 (2010) Article DOI: 10.1016/j.bmcl.2010.10.081 BindingDB Entry DOI: 10.7270/Q2Z89CP0
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