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BDBM50347744 CHEMBL1803083

SMILES: O=C1NC(NCC2CC2)=NC1=Cc1ccc2OCOc2c1

InChI Key: InChIKey=NNLAIIGSWMAAOG-UHFFFAOYSA-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 = 50347744   
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-(Y)-phosphorylation regulated kinase 1A


(RAT)
BDBM50347744
PNG
(CHEMBL1803083)
Show SMILES O=C1NC(NCC2CC2)=NC1=Cc1ccc2OCOc2c1 |w:11.13,c:9|
Show InChI InChI=1S/C15H15N3O3/c19-14-11(17-15(18-14)16-7-9-1-2-9)5-10-3-4-12-13(6-10)21-8-20-12/h3-6,9H,1-2,7-8H2,(H2,16,17,18,19)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 100n/an/an/an/an/an/a



Universite£? de Rennes 1

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant GST-tagged DYRK1A using KKISGRLSPIMTEQ as substrate and [gamma32]-ATP after 30 mins by scintillation counting


J Med Chem 54: 4172-86 (2011)


Article DOI: 10.1021/jm200274d
BindingDB Entry DOI: 10.7270/Q27D2VHR
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 2


(Homo sapiens (Human))
BDBM50347744
PNG
(CHEMBL1803083)
Show SMILES O=C1NC(NCC2CC2)=NC1=Cc1ccc2OCOc2c1 |w:11.13,c:9|
Show InChI InChI=1S/C15H15N3O3/c19-14-11(17-15(18-14)16-7-9-1-2-9)5-10-3-4-12-13(6-10)21-8-20-12/h3-6,9H,1-2,7-8H2,(H2,16,17,18,19)
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 47n/an/an/an/an/an/a



Universite£? de Rennes 1

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged DYRK2 using KKISGRLSPIMTEQ as substrate and [gamma32]-ATP after 30 mins by scintillation counting


J Med Chem 54: 4172-86 (2011)


Article DOI: 10.1021/jm200274d
BindingDB Entry DOI: 10.7270/Q27D2VHR
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50347744
PNG
(CHEMBL1803083)
Show SMILES O=C1NC(NCC2CC2)=NC1=Cc1ccc2OCOc2c1 |w:11.13,c:9|
Show InChI InChI=1S/C15H15N3O3/c19-14-11(17-15(18-14)16-7-9-1-2-9)5-10-3-4-12-13(6-10)21-8-20-12/h3-6,9H,1-2,7-8H2,(H2,16,17,18,19)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.70E+3n/an/an/an/an/an/a



Universite£? de Rennes 1

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/p25


J Med Chem 54: 4172-86 (2011)


Article DOI: 10.1021/jm200274d
BindingDB Entry DOI: 10.7270/Q27D2VHR
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK3


(Mus musculus)
BDBM50347744
PNG
(CHEMBL1803083)
Show SMILES O=C1NC(NCC2CC2)=NC1=Cc1ccc2OCOc2c1 |w:11.13,c:9|
Show InChI InChI=1S/C15H15N3O3/c19-14-11(17-15(18-14)16-7-9-1-2-9)5-10-3-4-12-13(6-10)21-8-20-12/h3-6,9H,1-2,7-8H2,(H2,16,17,18,19)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 610n/an/an/an/an/an/a



Universite£? de Rennes 1

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant GST-tagged CLK3 using GRSRSRSRSRSR as substrate


J Med Chem 54: 4172-86 (2011)


Article DOI: 10.1021/jm200274d
BindingDB Entry DOI: 10.7270/Q27D2VHR
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50347744
PNG
(CHEMBL1803083)
Show SMILES O=C1NC(NCC2CC2)=NC1=Cc1ccc2OCOc2c1 |w:11.13,c:9|
Show InChI InChI=1S/C15H15N3O3/c19-14-11(17-15(18-14)16-7-9-1-2-9)5-10-3-4-12-13(6-10)21-8-20-12/h3-6,9H,1-2,7-8H2,(H2,16,17,18,19)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.50E+3n/an/an/an/an/an/a



Universite£? de Rennes 1

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Pim1


J Med Chem 54: 4172-86 (2011)


Article DOI: 10.1021/jm200274d
BindingDB Entry DOI: 10.7270/Q27D2VHR
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1


(Mus musculus)
BDBM50347744
PNG
(CHEMBL1803083)
Show SMILES O=C1NC(NCC2CC2)=NC1=Cc1ccc2OCOc2c1 |w:11.13,c:9|
Show InChI InChI=1S/C15H15N3O3/c19-14-11(17-15(18-14)16-7-9-1-2-9)5-10-3-4-12-13(6-10)21-8-20-12/h3-6,9H,1-2,7-8H2,(H2,16,17,18,19)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 83n/an/an/an/an/an/a



Universite£? de Rennes 1

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant GST-tagged CLK1 using GRSRSRSRSRSR as substrate


J Med Chem 54: 4172-86 (2011)


Article DOI: 10.1021/jm200274d
BindingDB Entry DOI: 10.7270/Q27D2VHR
More data for this
Ligand-Target Pair