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 = 'BDBM529850'   

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))	BDBM529850 (US11203591, Example 256) Show SMILES CC(C)n1cnc2cc(nc(Nc3cc(C(=O)NCC(F)F)c(Cl)c(F)c3F)c12)-c1cnc2c(c1)N(C1CC(C)(C1)N1CCC3CC3C1)C(=O)C2(C)C |(-2.25,5.87,;-.74,5.55,;.29,6.7,;-.27,4.09,;-1.17,2.84,;-.27,1.6,;1.2,2.07,;2.53,1.3,;3.86,2.07,;3.86,3.61,;2.53,4.38,;2.53,5.92,;3.86,6.69,;5.2,5.92,;6.53,6.69,;7.87,5.92,;7.87,4.38,;9.2,6.69,;9.2,8.23,;10.53,9,;10.53,10.54,;11.87,8.23,;6.53,8.23,;7.87,9,;5.2,9,;5.2,10.54,;3.86,8.23,;2.53,9,;1.2,3.61,;5.2,1.3,;6.53,2.07,;7.87,1.3,;7.87,-.24,;6.53,-1.01,;5.2,-.24,;6.85,-2.51,;5.82,-3.66,;4.28,-3.74,;4.36,-5.28,;4.44,-6.81,;5.9,-5.2,;2.83,-5.36,;2.13,-6.73,;.59,-6.81,;-.25,-5.52,;-1.09,-4.23,;.45,-4.15,;1.99,-4.07,;8.38,-2.67,;9.15,-4.01,;9.01,-1.27,;10.48,-1.73,;10.16,-.25,)| 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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