Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mitogen-activated protein kinase kinase kinase kinase 1' and Ligand = 'BDBM529838'   

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
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM529838 (US11203591, Example 244) Show SMILES CC(C)n1cnc2cc(nc(Nc3cc(C(=O)NC4(CC4)C(F)F)c(Cl)c(F)c3F)c12)-c1ccc2c(c1)N(C1CC(C1)N1CCCCC1)C(=O)C2(C)C |(13.94,7.78,;12.91,6.63,;13.39,5.17,;11.4,6.95,;10.78,8.36,;9.25,8.2,;8.93,6.69,;7.59,5.92,;7.59,4.38,;8.93,3.61,;10.26,4.38,;11.59,3.61,;11.59,2.07,;12.93,1.3,;12.93,-.24,;14.26,-1.01,;14.26,-2.55,;15.59,-.24,;16.93,-1.01,;17.92,-2.19,;16.4,-2.45,;17.92,.17,;17.39,1.62,;19.43,-.09,;11.59,-1.01,;11.59,-2.55,;10.26,-.24,;8.93,-1.01,;10.26,1.3,;8.93,2.07,;10.26,5.92,;6.26,3.61,;6.26,2.07,;4.92,1.3,;3.59,2.07,;3.59,3.61,;4.92,4.38,;2.13,4.09,;1.65,5.55,;.28,6.25,;.98,7.62,;2.35,6.93,;.5,9.09,;-1.01,9.41,;-1.48,10.87,;-.45,12.02,;1.06,11.7,;1.53,10.23,;1.22,2.84,;-.32,2.84,;2.13,1.6,;2.43,.09,;.99,.55,)| Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0500	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Ten nanoliters of test compounds dissolved in DMSO at various concentrations were dispensed into a 384-well ProxiPlate (PerkinElmer #6008289). Five m...				Citation and Details BindingDB Entry DOI: 10.7270/Q2833W6Q
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