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BDBM50434355 CHEMBL2386745

SMILES: COC(=N)c1nc2ccc3ncnc(Nc4ccc(F)cc4OC)c3c2s1

InChI Key: InChIKey=ZPXSIWLYMMFFCE-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50434355   
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))
BDBM50434355
PNG
(CHEMBL2386745)
Show SMILES COC(=N)c1nc2ccc3ncnc(Nc4ccc(F)cc4OC)c3c2s1
Show InChI InChI=1S/C18H14FN5O2S/c1-25-13-7-9(19)3-4-10(13)23-17-14-11(21-8-22-17)5-6-12-15(14)27-18(24-12)16(20)26-2/h3-8,20H,1-2H3,(H,21,22,23)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.590n/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Inhibition of recombinant DYRK1B (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))
BDBM50434355
PNG
(CHEMBL2386745)
Show SMILES COC(=N)c1nc2ccc3ncnc(Nc4ccc(F)cc4OC)c3c2s1
Show InChI InChI=1S/C18H14FN5O2S/c1-25-13-7-9(19)3-4-10(13)23-17-14-11(21-8-22-17)5-6-12-15(14)27-18(24-12)16(20)26-2/h3-8,20H,1-2H3,(H,21,22,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.360n/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