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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 428.8
BDBM50529815

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

Found 2 hits 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
MAP/microtubule affinity-regulating kinase 4


(Homo sapiens (Human))
BDBM50529815
PNG
(CHEMBL4543139)
Show SMILES COc1ccc(Cn2cc(nn2)C(=O)N\N=C2\C(=O)Nc3ccc(F)c(Cl)c23)cc1
Show InChI InChI=1S/C19H14ClFN6O3/c1-30-11-4-2-10(3-5-11)8-27-9-14(23-26-27)18(28)25-24-17-15-13(22-19(17)29)7-6-12(21)16(15)20/h2-7,9H,8H2,1H3,(H,25,28)(H,22,24,29)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.02E+4n/an/an/an/an/an/a



Jamia Millia Islamia

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MARK4 expressed in Escherichia coli M15 cells after 2 hrs in presence of [gamma-32-P]ATP by TLC analysis based ATPase...


Eur J Med Chem 163: 840-852 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.026
BindingDB Entry DOI: 10.7270/Q2SQ93W9
More data for this
Ligand-Target Pair
MAP/microtubule affinity-regulating kinase 4


(Homo sapiens (Human))
BDBM50529815
PNG
(CHEMBL4543139)
Show SMILES COc1ccc(Cn2cc(nn2)C(=O)N\N=C2\C(=O)Nc3ccc(F)c(Cl)c23)cc1
Show InChI InChI=1S/C19H14ClFN6O3/c1-30-11-4-2-10(3-5-11)8-27-9-14(23-26-27)18(28)25-24-17-15-13(22-19(17)29)7-6-12(21)16(15)20/h2-7,9H,8H2,1H3,(H,25,28)(H,22,24,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.02E+4n/an/an/an/an/an/a



Jamia Millia Islamia

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MARK4 expressed in Escherichia coli M15 cells after 2 hrs in presence of [gamma-32-P]ATP by TLC analysis based ATPase...


Eur J Med Chem 163: 840-852 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.026
BindingDB Entry DOI: 10.7270/Q2SQ93W9
More data for this
Ligand-Target Pair