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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 = 'BDBM166062'   
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))
BDBM166062
PNG
(US9067937, 5)
Show SMILES CN(C)C[C@H]1CC[C@@H](CC1)Nc1c(cnc2ccc(nc12)-c1cc(F)c(O)c(Cl)c1)C(=O)C1CC1 |r,wU:7.10,wD:4.3,(-4.77,5,;-3.44,4.23,;-2.1,5,;-3.44,2.69,;-2.1,1.93,;-2.1,.38,;-.77,-.38,;.56,.38,;.56,1.93,;-.77,2.69,;1.9,-.38,;1.9,-1.93,;3.23,-2.69,;3.23,-4.23,;1.9,-5,;.56,-4.23,;-.77,-5,;-2.1,-4.23,;-2.1,-2.69,;-.77,-1.93,;.56,-2.69,;-3.44,-1.93,;-4.77,-2.69,;-6.1,-1.93,;-7.44,-2.69,;-6.1,-.38,;-7.44,.38,;-4.77,.38,;-4.77,1.93,;-3.44,-.38,;4.56,-1.93,;4.56,-.38,;5.9,-2.69,;6.67,-4.03,;7.44,-2.69,)|
Show InChI InChI=1S/C27H30ClFN4O2/c1-33(2)14-15-3-7-18(8-4-15)31-24-19(26(34)16-5-6-16)13-30-23-10-9-22(32-25(23)24)17-11-20(28)27(35)21(29)12-17/h9-13,15-16,18,35H,3-8,14H2,1-2H3,(H,30,31)/t15-,18-
PDB

KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.800n/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 US9067937 (2015)


BindingDB Entry DOI: 10.7270/Q2BR8QX4
More data for this
Ligand-Target Pair