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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 = 'BDBM50434356'   
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))
BDBM50434356
PNG
(CHEMBL2386744 | US9446044, 44)
Show SMILES COC(=N)c1nc2ccc3ncnc(Nc4ccc(Br)cc4F)c3c2s1
Show InChI InChI=1S/C17H11BrFN5OS/c1-25-15(20)17-24-12-5-4-11-13(14(12)26-17)16(22-7-21-11)23-10-3-2-8(18)6-9(10)19/h2-7,20H,1H3,(H,21,22,23)
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.160n/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Inhibition of recombinant DYRK1A (unknown origin) after 120 mins in presence of [33P]-ATP


ACS Med Chem Lett 4: 502-3 (2013)


Article DOI: 10.1021/ml400137s
BindingDB Entry DOI: 10.7270/Q2NK3GDP
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50434356
PNG
(CHEMBL2386744 | US9446044, 44)
Show SMILES COC(=N)c1nc2ccc3ncnc(Nc4ccc(Br)cc4F)c3c2s1
Show InChI InChI=1S/C17H11BrFN5OS/c1-25-15(20)17-24-12-5-4-11-13(14(12)26-17)16(22-7-21-11)23-10-3-2-8(18)6-9(10)19/h2-7,20H,1H3,(H,21,22,23)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
US Patent
n/an/a 3.60n/an/an/an/a7.525



DIAXONHIT

US Patent


Assay Description
The DYRK1A and DYRK1B kinase assays to determine IC50 values were performed by Reaction Biology Corporation using HotSpot technology Worldwide websit...


US Patent US9446044 (2016)


BindingDB Entry DOI: 10.7270/Q2610Z7J
More data for this
Ligand-Target Pair