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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 310.3
BDBM50508615

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   
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))
BDBM50508615
PNG
(CHEMBL4549181)
Show SMILES CC(C)Nc1sc(C(=O)c2ccc(cc2)C#N)c(N)c1C#N
Show InChI InChI=1S/C16H14N4OS/c1-9(2)20-16-12(8-18)13(19)15(22-16)14(21)11-5-3-10(7-17)4-6-11/h3-6,9,20H,19H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>5.00E+3n/an/an/an/an/an/a



Selvita S.A

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MELK expressed in Escherichia coli using ZIPtide as substrate measured after 0.5 hrs by ADP-Glo assay


Bioorg Med Chem Lett 29: 607-613 (2019)


Article DOI: 10.1016/j.bmcl.2018.12.051
BindingDB Entry DOI: 10.7270/Q2377D0K
More data for this
Ligand-Target Pair