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BDBM50444361 CHEMBL3094434

SMILES: CN1CCN(CCCNc2ncc3cc(C(=O)Nc4cc(ccc4Cl)C(=O)NC(CCN)c4ccccc4)c(=O)[nH]c3n2)CC1

InChI Key: InChIKey=QJRRYVISMPFJOU-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50444361   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM50444361
PNG
(CHEMBL3094434)
Show SMILES CN1CCN(CCCNc2ncc3cc(C(=O)Nc4cc(ccc4Cl)C(=O)NC(CCN)c4ccccc4)c(=O)[nH]c3n2)CC1
Show InChI InChI=1S/C32H38ClN9O3/c1-41-14-16-42(17-15-41)13-5-12-35-32-36-20-23-18-24(31(45)39-28(23)40-32)30(44)38-27-19-22(8-9-25(27)33)29(43)37-26(10-11-34)21-6-3-2-4-7-21/h2-4,6-9,18-20,26H,5,10-17,34H2,1H3,(H,37,43)(H,38,44)(H2,35,36,39,40,45)
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of DYRK1A (unknown origin)


Bioorg Med Chem Lett 23: 6610-5 (2013)


Article DOI: 10.1016/j.bmcl.2013.10.055
BindingDB Entry DOI: 10.7270/Q20G3MNJ
More data for this
Ligand-Target Pair