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 = 'BDBM529791'   

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))	BDBM529791 (US11203591, Example 198) Show SMILES CC(C)n1cnc2cc(nc(Nc3cc(C(=O)NC4(CC4)C(F)F)c(Cl)c(F)c3F)c12)-c1cnc2c(c1)N(C1CC(C)(C1)N1CCCOCC1)C(=O)C2(C)C |(11.31,-2.5,;9.81,-2.18,;8.78,-3.32,;9.33,-.71,;10.23,.53,;9.33,1.78,;7.87,1.3,;6.53,2.07,;5.2,1.3,;5.2,-.24,;6.53,-1.01,;6.53,-2.55,;5.2,-3.32,;5.2,-4.86,;3.86,-5.63,;3.86,-7.17,;2.53,-7.94,;5.2,-7.94,;5.2,-9.48,;4.67,-10.92,;3.68,-9.74,;6.71,-9.74,;7.7,-8.56,;7.24,-11.19,;2.53,-4.86,;1.2,-5.63,;2.53,-3.32,;1.2,-2.55,;3.86,-2.55,;3.86,-1.01,;7.87,-.24,;3.86,2.07,;3.86,3.61,;2.53,4.38,;1.2,3.61,;1.2,2.07,;2.53,1.3,;-.27,1.6,;-.74,.13,;-.04,-1.24,;-1.42,-1.94,;-1.06,-3.44,;-2.12,-.57,;-2.59,-2.94,;-2.19,-4.43,;-3.11,-5.66,;-4.65,-5.72,;-5.65,-4.54,;-5.36,-3.03,;-4,-2.32,;-1.17,2.84,;-2.71,2.84,;-.27,4.09,;.04,5.6,;-1.4,5.13,)| Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0100	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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