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 = 'BDBM529818'   

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))	BDBM529818 (US11203591, Example 224) Show SMILES CC(C)n1cnc2cc(nc(Nc3cc(C(=O)NC4(CC4)C(F)F)c(C)c(F)c3F)c12)-c1cnc2c(c1)N([C@H]1C[C@](C)(C1)N1CC3CCC1CO3)C(=O)C2(C)C |r,wU:38.42,wD:40.45,(5.01,-1.32,;6.1,-.23,;7.58,-.63,;5.62,1.24,;6.53,2.48,;5.62,3.73,;4.16,3.25,;2.82,4.02,;1.49,3.25,;1.49,1.71,;2.82,.94,;2.82,-.6,;1.49,-1.37,;1.49,-2.91,;.15,-3.68,;.15,-5.22,;-1.18,-5.99,;1.49,-5.99,;2.82,-5.22,;3.59,-3.88,;2.05,-3.88,;4.16,-5.99,;5.49,-5.22,;4.16,-7.53,;-1.18,-2.91,;-2.51,-3.68,;-1.18,-1.37,;-2.51,-.6,;.15,-.6,;.15,.94,;4.16,1.71,;.15,4.02,;.15,5.56,;-1.18,6.33,;-2.51,5.56,;-2.51,4.02,;-1.18,3.25,;-3.98,3.55,;-4.45,2.08,;-3.75,.71,;-5.13,.01,;-4.04,-1.08,;-5.83,1.38,;-5.6,-1.45,;-4.57,-2.6,;-5.05,-4.06,;-5.34,-3,;-6.84,-2.8,;-7.11,-1.77,;-7.58,-3.24,;-6.55,-4.38,;-4.88,4.79,;-6.42,4.79,;-3.98,6.04,;-4.38,7.53,;-2.89,7.13,)| Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0600	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
					More data for this Ligand-Target Pair