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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 = 'BDBM50347745'   
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))
BDBM50347745
PNG
(CHEMBL1803084)
Show SMILES Cc1ccc(NC2=NC(=Cc3ccc4OCOc4c3)C(=O)N2)cc1 |w:9.9,t:6|
Show InChI InChI=1S/C18H15N3O3/c1-11-2-5-13(6-3-11)19-18-20-14(17(22)21-18)8-12-4-7-15-16(9-12)24-10-23-15/h2-9H,10H2,1H3,(H2,19,20,21,22)
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 18n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01141
BindingDB Entry DOI: 10.7270/Q2FN1B7V
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50347745
PNG
(CHEMBL1803084)
Show SMILES Cc1ccc(NC2=NC(=Cc3ccc4OCOc4c3)C(=O)N2)cc1 |w:9.9,t:6|
Show InChI InChI=1S/C18H15N3O3/c1-11-2-5-13(6-3-11)19-18-20-14(17(22)21-18)8-12-4-7-15-16(9-12)24-10-23-15/h2-9H,10H2,1H3,(H2,19,20,21,22)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 170n/an/an/an/an/an/a



Universite£? de Rennes 1

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant GST-tagged DYRK1A using KKISGRLSPIMTEQ as substrate and [gamma32]-ATP after 30 mins by scintillation counting


J Med Chem 54: 4172-86 (2011)


Article DOI: 10.1021/jm200274d
BindingDB Entry DOI: 10.7270/Q27D2VHR
More data for this
Ligand-Target Pair