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Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with Target = 'Dual specificity tyrosine-phosphorylation-regulated kinase 1A' and Ligand = 'BDBM50567047'   
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))
BDBM50567047
PNG
(CHEMBL4848254)
Show SMILES CN(C)c1nccc(n1)-c1cnn2ncccc12
PDB
MMDB

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PC sid
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PDB
Article
PubMed
n/an/a 76n/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))
BDBM50567047
PNG
(CHEMBL4848254)
Show SMILES CN(C)c1nccc(n1)-c1cnn2ncccc12
PDB
MMDB

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PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 220n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of full length GST-tagged human DYRK1A phosphorylation expressed in baculovirus expression system in presence of [gamma-33P]ATP by radiome...


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))
BDBM50567047
PNG
(CHEMBL4848254)
Show SMILES CN(C)c1nccc(n1)-c1cnn2ncccc12
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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antibodypedia
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MCE
PC cid
PC sid
PDB
UniChem
PDB
n/an/a 464n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50567047
PNG
(CHEMBL4848254)
Show SMILES CN(C)c1nccc(n1)-c1cnn2ncccc12
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
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MCE
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 590n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human DYRK1A-mediated tau phosphorylation expressed in HEK293 cells incubated for 2 hrs by ELISA


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))
BDBM50567047
PNG
(CHEMBL4848254)
Show SMILES CN(C)c1nccc(n1)-c1cnn2ncccc12
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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antibodypedia
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MCE
PC cid
PC sid
PDB
UniChem
PDB
n/an/an/a 0.240n/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50567047
PNG
(CHEMBL4848254)
Show SMILES CN(C)c1nccc(n1)-c1cnn2ncccc12
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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MCE
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/an/a 85n/an/an/an/an/a


TBA

Assay Description
Binding affinity to biotinylated DYRK1A (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as dissociation constant measured up to 5 ...


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))
BDBM50567047
PNG
(CHEMBL4848254)
Show SMILES CN(C)c1nccc(n1)-c1cnn2ncccc12
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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antibodypedia
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MCE
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/an/an/an/a 0.240n/an/an/a


TBA

Assay Description
Binding affinity to biotinylated DYRK1A (unknown origin) expressed in Escherichia coli BL21 (DE3) assessed as dissociation rate constant measured up ...


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))
BDBM50567047
PNG
(CHEMBL4848254)
Show SMILES CN(C)c1nccc(n1)-c1cnn2ncccc12
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/an/a 3n/an/an/an/an/a


TBA

Assay Description
Binding affinity to wild-type human partial length DYRK1A (H129 to S509 residues) expressed in mammalian expression system measured after 1 hr by com...


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)