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SMILES: O=C1OCC\C1=C/c1ccc2OCCCc2c1

InChI Key: InChIKey=JZCVQLIASALOPP-FMIVXFBMSA-N

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 5 hits for monomerid = 50154354   
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 2


(Homo sapiens (Human))
BDBM50154354
PNG
(CHEMBL3775193)
Show SMILES O=C1OCC\C1=C/c1ccc2OCCCc2c1
Show InChI InChI=1S/C14H14O3/c15-14-12(5-7-17-14)9-10-3-4-13-11(8-10)2-1-6-16-13/h3-4,8-9H,1-2,5-7H2/b12-9+
PDB
MMDB

NCI pathway
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 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 1B


(Homo sapiens (Human))
BDBM50154354
PNG
(CHEMBL3775193)
Show SMILES O=C1OCC\C1=C/c1ccc2OCCCc2c1
Show InChI InChI=1S/C14H14O3/c15-14-12(5-7-17-14)9-10-3-4-13-11(8-10)2-1-6-16-13/h3-4,8-9H,1-2,5-7H2/b12-9+
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 6.70E+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
Dual specificity protein kinase CLK1


(Homo sapiens (Human))
BDBM50154354
PNG
(CHEMBL3775193)
Show SMILES O=C1OCC\C1=C/c1ccc2OCCCc2c1
Show InChI InChI=1S/C14H14O3/c15-14-12(5-7-17-14)9-10-3-4-13-11(8-10)2-1-6-16-13/h3-4,8-9H,1-2,5-7H2/b12-9+
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 3.90E+3n/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
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50154354
PNG
(CHEMBL3775193)
Show SMILES O=C1OCC\C1=C/c1ccc2OCCCc2c1
Show InChI InChI=1S/C14H14O3/c15-14-12(5-7-17-14)9-10-3-4-13-11(8-10)2-1-6-16-13/h3-4,8-9H,1-2,5-7H2/b12-9+
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 1A


(Homo sapiens (Human))
BDBM50154354
PNG
(CHEMBL3775193)
Show SMILES O=C1OCC\C1=C/c1ccc2OCCCc2c1
Show InChI InChI=1S/C14H14O3/c15-14-12(5-7-17-14)9-10-3-4-13-11(8-10)2-1-6-16-13/h3-4,8-9H,1-2,5-7H2/b12-9+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 930n/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