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 = 'BDBM50106670'   

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))	BDBM50106670 ((2R,3R)-N-{(1R)-4-Nitroguanyl-1-[(1,3-thiazol-2-yl...) Show SMILES CCC[C@@H]([C@@H](CC1CCC(C)CC1)C(=O)N[C@@H](CCCN=C(N)N[N+]([O-])=O)C(=O)Nc1nccs1)N(O)C=O |w:20.20,wU:4.13,wD:16.16,3.36,(1.62,-20.98,;1.62,-19.44,;2.95,-18.67,;2.95,-17.13,;4.28,-16.36,;4.28,-14.82,;5.05,-13.49,;4.25,-12.16,;5.02,-10.81,;6.56,-10.79,;7.33,-9.46,;7.35,-12.13,;6.59,-13.47,;5.61,-17.13,;5.61,-18.67,;6.95,-16.36,;8.28,-17.13,;8.28,-18.67,;9.62,-19.44,;9.62,-20.98,;10.95,-21.75,;10.95,-23.29,;12.28,-24.06,;9.62,-24.06,;9.62,-25.6,;8.28,-26.37,;10.95,-26.37,;9.62,-16.36,;9.62,-14.82,;10.95,-17.13,;12.28,-16.36,;13.7,-16.97,;14.72,-15.84,;13.95,-14.5,;12.44,-14.82,;1.62,-16.36,;.29,-17.13,;1.62,-14.82,;2.95,-14.05,)| Show InChI InChI=1S/C24H40N8O6S/c1-3-5-20(31(36)15-33)18(14-17-9-7-16(2)8-10-17)21(34)28-19(22(35)29-24-27-12-13-39-24)6-4-11-26-23(25)30-32(37)38/h12-13,15-20,36H,3-11,14H2,1-2H3,(H,28,34)(H3,25,26,30)(H,27,29,35)/t16?,17?,18-,19+,20+/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	9	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of TACE using scintillation proximity assay (SPA)				J Med Chem 44: 4252-67 (2001) BindingDB Entry DOI: 10.7270/Q24J0DF5
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