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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 = 'BDBM529833'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM529833
PNG
(US11203591, Example 239)
Show SMILES CCNC(=O)c1cc(Nc2nc(cc3ncn(C(C)C)c23)-c2ccc3c(c2)N(C2CC(C)(C2)N2CCCCC2)C(=O)C3(C)C)c(F)c(F)c1C |(5.2,4.38,;6.53,3.61,;7.87,4.38,;7.87,5.92,;9.2,6.69,;6.53,6.69,;5.2,5.92,;3.86,6.69,;2.53,5.92,;2.53,4.38,;3.86,3.61,;3.86,2.07,;2.53,1.3,;1.2,2.07,;-.27,1.6,;-1.17,2.84,;-.27,4.09,;-.74,5.55,;-2.25,5.87,;.29,6.7,;1.2,3.61,;5.2,1.3,;5.2,-.24,;6.53,-1.01,;7.87,-.24,;7.87,1.3,;6.53,2.07,;9.33,1.78,;9.81,3.24,;9.11,4.62,;10.48,5.31,;10.12,6.81,;11.18,3.94,;11.65,6.31,;11.37,7.83,;12.54,8.83,;13.99,8.32,;14.27,6.8,;13.1,5.8,;10.23,.53,;11.77,.53,;9.33,-.71,;8.7,-2.12,;10.66,-1.48,;3.86,8.23,;2.53,9,;5.2,9,;5.2,10.54,;6.53,8.23,;7.87,9,)|
PDB

NCI pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.0400n/an/an/an/an/an/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