Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tumor necrosis factor' and Ligand = 'BDBM77008'   

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 (Homo sapiens (Human))	BDBM77008 (3-{4-[4-(2-morpholin-4-yl-ethyl)-benzyloxy]-1-oxo-...) Show SMILES O=C1N(Cc2c1cccc2OCc1ccc(CCN2CCOCC2)cc1)C1CCC(=O)NC1=O Show InChI InChI=1S/C26H29N3O5/c30-24-9-8-22(25(31)27-24)29-16-21-20(26(29)32)2-1-3-23(21)34-17-19-6-4-18(5-7-19)10-11-28-12-14-33-15-13-28/h1-7,22H,8-17H2,(H,27,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.790	n/a	n/a	n/a	n/a	n/a	37
Celgene Corporation US Patent					Assay Description The Fix buffer I was warmed up to 37° C. in an incubator or water bath prior to use. The Perm Buffer III was chilled in a ⿿20° C. freezer p...				US Patent US9694015 (2017) BindingDB Entry DOI: 10.7270/Q2R49NZN
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