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 = 'BDBM529748'   

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))	BDBM529748 (US11203591, Example 155) Show SMILES CNC(=O)c1cc(Nc2nc(cc3ncn(C4CC4)c23)-c2ccc3c(c2)N([C@H]2C[C@H](C2)N2CCCCC2)C(=O)C32CCN(CC2)C(=O)C2CCC2)ccc1C |r,wU:27.30,29.35,(2.88,-8.79,;1.55,-9.56,;.21,-8.79,;-1.12,-9.56,;.21,-7.25,;1.55,-6.48,;1.55,-4.94,;2.88,-4.17,;2.88,-2.63,;1.55,-1.86,;1.55,-.32,;2.88,.45,;4.21,-.32,;5.68,.16,;6.58,-1.09,;5.68,-2.33,;6.08,-3.82,;5.68,-5.31,;7.17,-4.91,;4.21,-1.86,;.21,.45,;.21,1.99,;-1.12,2.76,;-2.45,1.99,;-2.45,.45,;-1.12,-.32,;-3.92,-.02,;-4.32,-1.51,;-3.55,-2.85,;-4.88,-3.62,;-5.65,-2.28,;-5.28,-5.1,;-6.77,-5.5,;-7.17,-6.99,;-6.08,-8.08,;-4.59,-7.68,;-4.19,-6.19,;-4.82,1.22,;-6.36,1.22,;-3.92,2.47,;-2.83,3.56,;-3.23,5.04,;-4.72,5.44,;-5.81,4.35,;-5.41,2.87,;-5.11,6.93,;-6.6,7.33,;-4.03,8.02,;-2.49,8.02,;-2.49,9.56,;-4.03,9.56,;.21,-4.17,;-1.12,-4.94,;-1.12,-6.48,;-2.45,-7.25,)| 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
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