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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Dual specificity tyrosine-phosphorylation-regulated kinase 1A' and Ligand = 'BDBM8127'   
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


(Homo sapiens (Human))
BDBM8127
PNG
(N-methyl-N-phenyl-4-pyrazolo[1,5-b]pyridazin-3-ylp...)
Show SMILES CN(c1ccccc1)c1nccc(n1)-c1cnn2ncccc12
Show InChI InChI=1S/C17H14N6/c1-22(13-6-3-2-4-7-13)17-18-11-9-15(21-17)14-12-20-23-16(14)8-5-10-19-23/h2-12H,1H3
PDB
MMDB

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PC sid
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Article
PubMed
n/an/a 186n/an/an/an/an/an/a


TBA

Assay Description
Displacement of Kinase tracer 236 from biotinylated DYRK1A (unknown origin) expressed in Escherichia coli BL21 (DE3) incubated for 1.5 hrs by TR-FRET...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01115
BindingDB Entry DOI: 10.7270/Q2BV7MDT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM8127
PNG
(N-methyl-N-phenyl-4-pyrazolo[1,5-b]pyridazin-3-ylp...)
Show SMILES CN(c1ccccc1)c1nccc(n1)-c1cnn2ncccc12
Show InChI InChI=1S/C17H14N6/c1-22(13-6-3-2-4-7-13)17-18-11-9-15(21-17)14-12-20-23-16(14)8-5-10-19-23/h2-12H,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 186n/an/an/an/an/an/a



University of Sussex

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal Hex-tagged DYRK1A (127 to 485 residues) expressed in Escherichia coli BL21 (DE3) incubated for 1.5 hrs by ...


ACS Med Chem Lett 11: 1620-1626 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00279
BindingDB Entry DOI: 10.7270/Q2ZW1QGM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)