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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 = 'BDBM50248948'   
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))
BDBM50248948
PNG
(CHEMBL4064740)
Show SMILES Cl.CN(\N=C\C1=CC=C2C=CC(Br)=CC12)S(=O)(=O)c1cc(ccc1C)[N+]([O-])=O |c:8,11,t:4,6|
Show InChI InChI=1S/C18H16BrN3O4S.ClH/c1-12-3-8-16(22(23)24)10-18(12)27(25,26)21(2)20-11-14-5-4-13-6-7-15(19)9-17(13)14;/h3-11,17H,1-2H3;1H/b20-11+;
PDB

KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 400n/an/an/an/an/an/a



The University of Texas at Austin

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged MELK catalytic domain (1 to 340 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) cells using Bcl-GL as s...


Bioorg Med Chem 25: 2609-2616 (2017)


Article DOI: 10.1016/j.bmc.2017.03.018
BindingDB Entry DOI: 10.7270/Q2833VFF
More data for this
Ligand-Target Pair