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BDBM50444360 CHEMBL3094435

SMILES: CN1CCN(CCNc2ncc3cc(C(=O)Nc4cc(ccc4Cl)C(=O)NC(CCN)c4ccccc4)c(=O)[nH]c3n2)CC1

InChI Key: InChIKey=DNJISDHVBHLOGY-UHFFFAOYSA-N

Data: 2 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50444360   
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-regulated kinases 1B


(Homo sapiens (Human))
BDBM50444360
PNG
(CHEMBL3094435)
Show SMILES CN1CCN(CCNc2ncc3cc(C(=O)Nc4cc(ccc4Cl)C(=O)NC(CCN)c4ccccc4)c(=O)[nH]c3n2)CC1
Show InChI InChI=1S/C31H36ClN9O3/c1-40-13-15-41(16-14-40)12-11-34-31-35-19-22-17-23(30(44)38-27(22)39-31)29(43)37-26-18-21(7-8-24(26)32)28(42)36-25(9-10-33)20-5-3-2-4-6-20/h2-8,17-19,25H,9-16,33H2,1H3,(H,36,42)(H,37,43)(H2,34,35,38,39,44)
UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 31n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

Curated by ChEMBL


Assay Description
Inhibition of DYRK1B (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
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50444360
PNG
(CHEMBL3094435)
Show SMILES CN1CCN(CCNc2ncc3cc(C(=O)Nc4cc(ccc4Cl)C(=O)NC(CCN)c4ccccc4)c(=O)[nH]c3n2)CC1
Show InChI InChI=1S/C31H36ClN9O3/c1-40-13-15-41(16-14-40)12-11-34-31-35-19-22-17-23(30(44)38-27(22)39-31)29(43)37-26-18-21(7-8-24(26)32)28(42)36-25(9-10-33)20-5-3-2-4-6-20/h2-8,17-19,25H,9-16,33H2,1H3,(H,36,42)(H,37,43)(H2,34,35,38,39,44)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 13n/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