Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tumor necrosis factor' and Ligand = 'BDBM407691'   

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))	BDBM407691 ((R)-6-(3-cyanopyrrolo[1,2- b]pyridazin-7-yl)-N-(2-...) Show SMILES CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1NC12CCC(CC1)(OC2)c1cnco1)-c1ccc2cc(cnn12)C#N |r,wU:4.4,(-9.7,-1.54,;-8.37,-.77,;-8.37,.77,;-9.7,,;-7.03,-1.54,;-7.03,-3.08,;-5.7,-.77,;-4.36,-1.54,;-3.03,-.77,;-3.03,.77,;-1.7,-1.54,;-1.7,-3.08,;-.36,-3.85,;.97,-3.08,;.97,-1.54,;-.36,-.77,;-.36,.77,;.97,1.54,;.97,3.08,;2.3,3.85,;3.64,3.08,;2.1,3.08,;2.51,1.54,;3.64,1.54,;2.3,.77,;4.97,3.85,;6.38,3.22,;7.41,4.37,;6.64,5.7,;5.13,5.38,;2.3,-3.85,;2.47,-5.38,;3.97,-5.7,;4.74,-4.37,;6.25,-4.05,;6.72,-2.58,;5.69,-1.44,;4.19,-1.76,;3.71,-3.22,;8.21,-2.18,;9.7,-1.79,)| Show InChI InChI=1S/C29H30FN7O4/c1-27(2,39)24(30)14-34-26(38)20-13-33-22(23-4-3-19-9-18(11-31)12-35-37(19)23)10-21(20)36-28-5-7-29(8-6-28,41-16-28)25-15-32-17-40-25/h3-4,9-10,12-13,15,17,24,39H,5-8,14,16H2,1-2H3,(H,33,36)(H,34,38)/t24-,28?,29?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	2	n/a	n/a	n/a	n/a
Gilead Sciences Inc US Patent					Assay Description Cryopreserved human monocytes (Stem Cell Technologies) were thawed, diluted in RPMI with GlutaMAX (Gibco® 200 mM L-alanyl-L-glutamine) (10 mM HEPES, ...				US Patent US10336762 (2019) BindingDB Entry DOI: 10.7270/Q2GH9MBG
					More data for this Ligand-Target Pair