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BDBM50154348 CHEMBL3774704

SMILES: O=C1OCC\C1=C/c1ccc2ncsc2c1

InChI Key: InChIKey=FMOOGIYSVBVFIT-WEVVVXLNSA-N

Data: 6 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 6 hits for monomerid = 50154348   
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
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50154348
PNG
(CHEMBL3774704)
Show SMILES O=C1OCC\C1=C/c1ccc2ncsc2c1
Show InChI InChI=1S/C12H9NO2S/c14-12-9(3-4-15-12)5-8-1-2-10-11(6-8)16-7-13-10/h1-2,5-7H,3-4H2/b9-5+
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of EGFR (unknown origin) incubated for 15 mins in presence of [gamma-32P]ATP


Eur J Med Chem 112: 209-16 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0WC4
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 2


(Homo sapiens (Human))
BDBM50154348
PNG
(CHEMBL3774704)
Show SMILES O=C1OCC\C1=C/c1ccc2ncsc2c1
Show InChI InChI=1S/C12H9NO2S/c14-12-9(3-4-15-12)5-8-1-2-10-11(6-8)16-7-13-10/h1-2,5-7H,3-4H2/b9-5+
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 60n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal GST-tagged DYRK2 expressed in Escherichia coli BL21(DE3) cells using KKISGRLSPIMTEQ-NH2 as substrate incub...


Eur J Med Chem 112: 209-16 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0WC4
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50154348
PNG
(CHEMBL3774704)
Show SMILES O=C1OCC\C1=C/c1ccc2ncsc2c1
Show InChI InChI=1S/C12H9NO2S/c14-12-9(3-4-15-12)5-8-1-2-10-11(6-8)16-7-13-10/h1-2,5-7H,3-4H2/b9-5+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 200n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of tetracycline-inducible EGFP-DYRK1A (unknown origin) expressed in HEK293 cells coexpressing full length human EGFP-tau protein assessed ...


Eur J Med Chem 112: 209-16 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0WC4
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50154348
PNG
(CHEMBL3774704)
Show SMILES O=C1OCC\C1=C/c1ccc2ncsc2c1
Show InChI InChI=1S/C12H9NO2S/c14-12-9(3-4-15-12)5-8-1-2-10-11(6-8)16-7-13-10/h1-2,5-7H,3-4H2/b9-5+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 130n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His6-tagged DYRK1A catalytic domain expressed in Escherichia coli BL21(DE3) cells using KKISGRLSPIMTEQ-NH2...


Eur J Med Chem 112: 209-16 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0WC4
More data for this
Ligand-Target Pair
Dual specificty protein kinase CLK1


(Homo sapiens (Human))
BDBM50154348
PNG
(CHEMBL3774704)
Show SMILES O=C1OCC\C1=C/c1ccc2ncsc2c1
Show InChI InChI=1S/C12H9NO2S/c14-12-9(3-4-15-12)5-8-1-2-10-11(6-8)16-7-13-10/h1-2,5-7H,3-4H2/b9-5+
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged CLK1 catalytic domain (129 to 484 residues) expressed in Escherichia coli using GRSRSRSRSRSRSRSR as substr...


Eur J Med Chem 112: 209-16 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0WC4
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-regulated kinases 1B


(Homo sapiens (Human))
BDBM50154348
PNG
(CHEMBL3774704)
Show SMILES O=C1OCC\C1=C/c1ccc2ncsc2c1
Show InChI InChI=1S/C12H9NO2S/c14-12-9(3-4-15-12)5-8-1-2-10-11(6-8)16-7-13-10/h1-2,5-7H,3-4H2/b9-5+
UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.05E+3n/an/an/an/an/an/a



Saarland University

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human GST-tagged DYRK1B expressed in insect cells using KKISGRLSPIMTEQ-NH2 as substrate incubated for 15 mins i...


Eur J Med Chem 112: 209-16 (2016)


BindingDB Entry DOI: 10.7270/Q2GF0WC4
More data for this
Ligand-Target Pair