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PDB code 4YLJ

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 3 hits Enzyme Inhibition Constant Data   
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
Dual-specificity tyrosine-phosphorylation regulated kinase 1A

  (359/359 = 100%)
(Homo sapiens (human))
BDBM50097869
PNG
(CHEMBL3589662)
Show SMILES OC(=O)c1nc2ccccc2c2[nH]c3c(I)cccc3c12
Show InChI InChI=1S/C16H9IN2O2/c17-10-6-3-5-9-12-14(19-13(9)10)8-4-1-2-7-11(8)18-15(12)16(20)21/h1-7,19H,(H,20,21)
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PC sid
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PDB
Article
PubMed
n/an/a 6n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DYRK1A expressed in Escherichia coli using RS peptide as substrate


J Med Chem 58: 3131-43 (2015)


Article DOI: 10.1021/jm501994d
BindingDB Entry DOI: 10.7270/Q2736SPK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dual-specificity tyrosine-phosphorylation regulated kinase 1A

  (359/359 = 100%)
(Homo sapiens (human))
BDBM50097869
PNG
(CHEMBL3589662)
Show SMILES OC(=O)c1nc2ccccc2c2[nH]c3c(I)cccc3c12
Show InChI InChI=1S/C16H9IN2O2/c17-10-6-3-5-9-12-14(19-13(9)10)8-4-1-2-7-11(8)18-15(12)16(20)21/h1-7,19H,(H,20,21)
PDB
MMDB

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KEGG

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PC sid
PDB
UniChem

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Article
PubMed
n/an/a 500n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of DYRK1A in HEK293 cells assessed as inhibition of tau phosphorylation at Thr212 by Western blotting analysis


J Med Chem 58: 3131-43 (2015)


Article DOI: 10.1021/jm501994d
BindingDB Entry DOI: 10.7270/Q2736SPK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dual-specificity tyrosine-phosphorylation regulated kinase 1A

  (359/359 = 100%)
(Homo sapiens (human))
BDBM50097869
PNG
(CHEMBL3589662)
Show SMILES OC(=O)c1nc2ccccc2c2[nH]c3c(I)cccc3c12
Show InChI InChI=1S/C16H9IN2O2/c17-10-6-3-5-9-12-14(19-13(9)10)8-4-1-2-7-11(8)18-15(12)16(20)21/h1-7,19H,(H,20,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
PDB
UniChem

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PDB
Article
PubMed
n/an/a 2.10E+3n/an/an/an/an/an/a



Technische Universit£t Braunschweig

Curated by ChEMBL


Assay Description
Inhibition of DYRK1A in human HeLa cells assessed as reduction of SF3B1 phosphorylation by immunoblotting analysis


J Med Chem 58: 3131-43 (2015)


Article DOI: 10.1021/jm501994d
BindingDB Entry DOI: 10.7270/Q2736SPK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
Identities from BLAST output