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 = 'BDBM50343980'   

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))	BDBM50343980 (CHEMBL1779613 | rac-(2R,3R)-4-(2-(3-chlorophenyl)p...) Show SMILES O[C@H]([C@@H](O)C(=O)N1CCCC1c1cccc(Cl)c1)C(=O)NCc1ccc(cn1)-c1ccccc1 |r| Show InChI InChI=1S/C26H26ClN3O4/c27-20-9-4-8-18(14-20)22-10-5-13-30(22)26(34)24(32)23(31)25(33)29-16-21-12-11-19(15-28-21)17-6-2-1-3-7-17/h1-4,6-9,11-12,14-15,22-24,31-32H,5,10,13,16H2,(H,29,33)/t22?,23-,24-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6	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: 4812-5 (2010) Article DOI: 10.1016/j.bmcl.2010.06.104 BindingDB Entry DOI: 10.7270/Q2GX4BWK
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