Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tumor necrosis factor' and Ligand = 'BDBM324761'   

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))	BDBM324761 (US10189840, Example 7) Show SMILES Cc1ccc(cc1C1CC(O)c2nc3ccc(nc3n12)-c1ccc(cc1)C(C)(C)O)C(F)(F)F |w:7.7,9.10| Show InChI InChI=1S/C26H24F3N3O2/c1-14-4-7-17(26(27,28)29)12-18(14)21-13-22(33)24-31-20-11-10-19(30-23(20)32(21)24)15-5-8-16(9-6-15)25(2,3)34/h4-12,21-22,33-34H,13H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Test compounds serially diluted in DMSO were plated in an assay plate (Labcyte, Cat. #LP-0200) at final concentrations ranging from 0.004 μM to ...				US Patent US10189840 (2019) BindingDB Entry DOI: 10.7270/Q26H4KHX
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