Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tumor necrosis factor receptor superfamily member 1A' and Ligand = 'BDBM50123289'   

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
Tumor necrosis factor receptor superfamily member 1A (Homo sapiens (Human))	BDBM50123289 (3-{5-[3-Ethyl-4-oxo-2-thioxo-thiazolidin-(5Z)-ylid...) Show SMILES CCN1C(=S)S\C(=C/c2ccc(o2)-c2ccsc2C(=O)OC)C1=O Show InChI InChI=1S/C16H13NO4S3/c1-3-17-14(18)12(24-16(17)22)8-9-4-5-11(21-9)10-6-7-23-13(10)15(19)20-2/h4-8H,3H2,1-2H3/b12-8-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of TNF-alpha binding to TNFRc1				Bioorg Med Chem Lett 13: 533-8 (2003) BindingDB Entry DOI: 10.7270/Q2X929N3
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