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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dual specificity tyrosine-phosphorylation-regulated kinase 1A' and Ligand = 'BDBM442891'   
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))
BDBM442891
PNG
(US10653688, Compound 72)
Show SMILES CC1CN(C[C@H]2CCC(CC2)C(=O)Nc2cc3cc(ccc3cn2)-c2cnccn2)C1 |r,wU:5.4,(18.27,1.92,;16.97,2.74,;15.28,2.68,;14.8,4.14,;13.34,4.62,;12,3.85,;12,2.31,;10.67,1.54,;9.34,2.31,;9.34,3.85,;10.67,4.62,;8,1.54,;6.67,2.31,;8,,;6.67,-.77,;5.33,,;4,-.77,;2.67,,;1.33,-.77,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;5.33,-3.08,;6.67,-2.31,;;-1.33,-.77,;-2.67,,;-2.67,1.54,;-1.33,2.31,;,1.54,;16.34,4.14,)|
Show InChI InChI=1S/C25H29N5O/c1-17-14-30(15-17)16-18-2-4-19(5-3-18)25(31)29-24-11-22-10-20(6-7-21(22)12-28-24)23-13-26-8-9-27-23/h6-13,17-19H,2-5,14-16H2,1H3,(H,28,29,31)/t18-,19?
PDB
MMDB

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US Patent
n/an/an/an/a 7n/an/an/an/a



Samumed, LLC

US Patent


Assay Description
The DYRK1A kinase assay was run using the Ser/Thr 18 peptide Z-lyte assay kit according to manufacturer's instructions (Life Technologies—a Divis...


US Patent US10653688 (2020)


BindingDB Entry DOI: 10.7270/Q2Z322PW
More data for this
Ligand-Target Pair