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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Dual specificity tyrosine-phosphorylation-regulated kinase 1A' and Ligand = 'BDBM50581211'   
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))
BDBM50581211
PNG
(CHEMBL5093650)
Show SMILES Cc1nc(NCc2c(F)cccc2F)c2c(c[nH]c2n1)-c1ccnc(N)c1
PDB
MMDB

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PC sid
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n/an/a 4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of DYRK1A (unknown origin) by TR FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00024
BindingDB Entry DOI: 10.7270/Q28W3J52
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50581211
PNG
(CHEMBL5093650)
Show SMILES Cc1nc(NCc2c(F)cccc2F)c2c(c[nH]c2n1)-c1ccnc(N)c1
PDB
MMDB

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PC sid
PDB
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PDB
Article
PubMed
n/an/a 7n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of DYRK1A (unknown origin) assessed as accumulation of ADP by ADP hunter plus assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00024
BindingDB Entry DOI: 10.7270/Q28W3J52
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50581211
PNG
(CHEMBL5093650)
Show SMILES Cc1nc(NCc2c(F)cccc2F)c2c(c[nH]c2n1)-c1ccnc(N)c1
PDB
MMDB

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UniProtKB/SwissProt

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antibodypedia
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PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 20n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of DYRK1A expressed in human U2OS cells assessed as reduction in autophosphorylation at S520 residue incubated for 5 hrs


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00024
BindingDB Entry DOI: 10.7270/Q28W3J52
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50581211
PNG
(CHEMBL5093650)
Show SMILES Cc1nc(NCc2c(F)cccc2F)c2c(c[nH]c2n1)-c1ccnc(N)c1
PDB
MMDB

Reactome pathway
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UniProtKB/SwissProt

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


TBA

Assay Description
Inhibition of human wild type DYRK1A (H129 to S509) expressed in mammalian cells by DiscoveryX Kinomescan binding assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00024
BindingDB Entry DOI: 10.7270/Q28W3J52
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50581211
PNG
(CHEMBL5093650)
Show SMILES Cc1nc(NCc2c(F)cccc2F)c2c(c[nH]c2n1)-c1ccnc(N)c1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/an/an/a<1n/an/an/an/a


TBA

Assay Description
Inhibition of DYRK1A-Nanoluc (unknown origin) expressed in HEK293 cells measured after 2 hrs by NanoBRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00024
BindingDB Entry DOI: 10.7270/Q28W3J52
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)