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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 = 'BDBM50395381'   
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))
BDBM50395381
PNG
(CHEMBL2164716 | US9168247, JR95)
Show SMILES Cc1[n+](Cc2ccccc2)ccc2c1n(Cc1ccccc1)c1cc(OCc3ccccc3)ccc21
Show InChI InChI=1S/C33H29N2O/c1-25-33-31(19-20-34(25)22-26-11-5-2-6-12-26)30-18-17-29(36-24-28-15-9-4-10-16-28)21-32(30)35(33)23-27-13-7-3-8-14-27/h2-21H,22-24H2,1H3/q+1
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 2.10E+4n/an/an/an/an/an/a



University of Namur (FUNDP)

Curated by ChEMBL


Assay Description
Inhibition of DYRK1A kinase using RBER-CHKtide substrate by radiometric protein kinase assay


J Med Chem 55: 6489-501 (2012)


Article DOI: 10.1021/jm300542e
BindingDB Entry DOI: 10.7270/Q2GM88FB
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(Homo sapiens (Human))
BDBM50395381
PNG
(CHEMBL2164716 | US9168247, JR95)
Show SMILES Cc1[n+](Cc2ccccc2)ccc2c1n(Cc1ccccc1)c1cc(OCc3ccccc3)ccc21
Show InChI InChI=1S/C33H29N2O/c1-25-33-31(19-20-34(25)22-26-11-5-2-6-12-26)30-18-17-29(36-24-28-15-9-4-10-16-28)21-32(30)35(33)23-27-13-7-3-8-14-27/h2-21H,22-24H2,1H3/q+1
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PC cid
PC sid
UniChem

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US Patent
n/an/a 2.12E+4n/an/an/an/a7.5n/a



FACULTES UNIVERSITAIRES NOTRE DAME DE LA PAIX; UNIVERSITE LIBRE BRUXELLES

US Patent


Assay Description
A radiometric protein kinase assay (33PanQinase Activity Assay) was used for measuring the kinase activity of DYRK1A protein kinase. All kinase assay...


US Patent US9168247 (2015)


BindingDB Entry DOI: 10.7270/Q2X63KQN
More data for this
Ligand-Target Pair