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 = 'BDBM50243134'   

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))	BDBM50243134 (CHEMBL4079423) Show SMILES COc1ccc2CN(C[C@]3(NC(=O)NC3=O)c3cc4nc(ccc4o3)-n3cccn3)C(=O)c2c1 |r| Show InChI InChI=1S/C23H18N6O5/c1-33-14-4-3-13-11-28(20(30)15(13)9-14)12-23(21(31)26-22(32)27-23)18-10-16-17(34-18)5-6-19(25-16)29-8-2-7-24-29/h2-10H,11-12H2,1H3,(H2,26,27,31,32)/t23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co. Curated by ChEMBL					Assay Description Inhibition of catalytic domain TACE (unknown origin) by FRET assay				Bioorg Med Chem Lett 27: 3037-3042 (2017) Article DOI: 10.1016/j.bmcl.2017.05.062 BindingDB Entry DOI: 10.7270/Q2319Z8G
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