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 = 'BDBM50409256'   

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))	BDBM50409256 (CHEMBL88445) Show SMILES CNC(=O)[C@@H](CC(C)C)NC(=O)[C@@H]1CCCCNC(=O)OCCC[C@@H]([C@@H](CC(C)C)C(=O)N1)C(=O)NO Show InChI InChI=1S/C25H45N5O7/c1-15(2)13-18-17(22(32)30-36)9-8-12-37-25(35)27-11-7-6-10-19(28-21(18)31)24(34)29-20(14-16(3)4)23(33)26-5/h15-20,36H,6-14H2,1-5H3,(H,26,33)(H,27,35)(H,28,31)(H,29,34)(H,30,32)/t17-,18+,19-,20+/m0/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	100	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Inhibition of LPS-stimulated TNF-alpha release in human whole blood				J Med Chem 44: 2636-60 (2001) BindingDB Entry DOI: 10.7270/Q2FB53NR
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