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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Maternal embryonic leucine zipper kinase' and Ligand = 'BDBM177267'   
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
Maternal embryonic leucine zipper kinase


(Homo sapiens (Human))
BDBM177267
PNG
(US9120749, 633)
Show SMILES COc1cc(cc(Cl)c1O)-c1ccc2ncc(C(=O)C3CC3)c(N[C@H]3CC[C@H](CN(C)CCO)CC3)c2c1 |r,wU:24.25,wD:27.29,(-8.11,-1.93,;-6.77,-2.7,;-5.44,-1.93,;-4.1,-2.7,;-2.77,-1.93,;-2.77,-.39,;-4.1,.38,;-4.1,1.92,;-5.44,-.39,;-6.77,.38,;-1.44,-2.7,;-1.44,-4.24,;-.1,-5.01,;1.23,-4.24,;2.56,-5.01,;3.9,-4.24,;3.9,-2.7,;5.23,-1.92,;5.23,-.38,;6.57,-2.69,;7.34,-4.03,;8.11,-2.69,;2.56,-1.93,;2.56,-.39,;1.23,.38,;-.1,-.39,;-1.44,.38,;-1.44,1.92,;-2.77,2.7,;-2.77,4.24,;-4.1,5.01,;-1.44,5.01,;-.1,4.24,;1.23,5.01,;-.1,2.69,;1.23,1.92,;1.23,-2.7,;-.1,-1.92,)|
Show InChI InChI=1S/C30H36ClN3O4/c1-34(11-12-35)17-18-3-8-22(9-4-18)33-28-23-13-20(21-14-25(31)30(37)27(15-21)38-2)7-10-26(23)32-16-24(28)29(36)19-5-6-19/h7,10,13-16,18-19,22,35,37H,3-6,8-9,11-12,17H2,1-2H3,(H,32,33)/t18-,22-
PDB

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Similars

US Patent
n/an/a 1.60n/an/an/an/a7.425



ONCOTHERAPY SCIENCE, INC.

US Patent


Assay Description
MELK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a ...


US Patent US9120749 (2015)


BindingDB Entry DOI: 10.7270/Q2FX7872
More data for this
Ligand-Target Pair