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BDBM50347749 CHEMBL1802357

SMILES: O=C1NC(Nc2ccc3OCCOc3c2)=NC1=Cc1ccc2OCOc2c1

InChI Key: InChIKey=DZVXEFRGRDZOSG-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 = 50347749   
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)
BDBM50347749
PNG
(CHEMBL1802357)
Show SMILES O=C1NC(Nc2ccc3OCCOc3c2)=NC1=Cc1ccc2OCOc2c1 |w:17.20,c:16|
Show InChI InChI=1S/C19H15N3O5/c23-18-13(7-11-1-3-15-16(8-11)27-10-26-15)21-19(22-18)20-12-2-4-14-17(9-12)25-6-5-24-14/h1-4,7-9H,5-6,10H2,(H2,20,21,22,23)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 170n/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))
BDBM50347749
PNG
(CHEMBL1802357)
Show SMILES O=C1NC(Nc2ccc3OCCOc3c2)=NC1=Cc1ccc2OCOc2c1 |w:17.20,c:16|
Show InChI InChI=1S/C19H15N3O5/c23-18-13(7-11-1-3-15-16(8-11)27-10-26-15)21-19(22-18)20-12-2-4-14-17(9-12)25-6-5-24-14/h1-4,7-9H,5-6,10H2,(H2,20,21,22,23)
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 110n/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))
BDBM50347749
PNG
(CHEMBL1802357)
Show SMILES O=C1NC(Nc2ccc3OCCOc3c2)=NC1=Cc1ccc2OCOc2c1 |w:17.20,c:16|
Show InChI InChI=1S/C19H15N3O5/c23-18-13(7-11-1-3-15-16(8-11)27-10-26-15)21-19(22-18)20-12-2-4-14-17(9-12)25-6-5-24-14/h1-4,7-9H,5-6,10H2,(H2,20,21,22,23)
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>1.00E+4n/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)
BDBM50347749
PNG
(CHEMBL1802357)
Show SMILES O=C1NC(Nc2ccc3OCCOc3c2)=NC1=Cc1ccc2OCOc2c1 |w:17.20,c:16|
Show InChI InChI=1S/C19H15N3O5/c23-18-13(7-11-1-3-15-16(8-11)27-10-26-15)21-19(22-18)20-12-2-4-14-17(9-12)25-6-5-24-14/h1-4,7-9H,5-6,10H2,(H2,20,21,22,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/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))
BDBM50347749
PNG
(CHEMBL1802357)
Show SMILES O=C1NC(Nc2ccc3OCCOc3c2)=NC1=Cc1ccc2OCOc2c1 |w:17.20,c:16|
Show InChI InChI=1S/C19H15N3O5/c23-18-13(7-11-1-3-15-16(8-11)27-10-26-15)21-19(22-18)20-12-2-4-14-17(9-12)25-6-5-24-14/h1-4,7-9H,5-6,10H2,(H2,20,21,22,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/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)
BDBM50347749
PNG
(CHEMBL1802357)
Show SMILES O=C1NC(Nc2ccc3OCCOc3c2)=NC1=Cc1ccc2OCOc2c1 |w:17.20,c:16|
Show InChI InChI=1S/C19H15N3O5/c23-18-13(7-11-1-3-15-16(8-11)27-10-26-15)21-19(22-18)20-12-2-4-14-17(9-12)25-6-5-24-14/h1-4,7-9H,5-6,10H2,(H2,20,21,22,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 320n/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