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BDBM50347776 CHEMBL1803067

SMILES: CN1C(=O)C(=Cc2ccc3OCOc3c2)N=C1NCc1ccccc1

InChI Key: InChIKey=FBHZWMCHPUGZRM-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 = 50347776   
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 protein kinase CLK1


(Mus musculus)
BDBM50347776
PNG
(CHEMBL1803067)
Show SMILES CN1C(=O)C(=Cc2ccc3OCOc3c2)N=C1NCc1ccccc1 |w:5.5,c:17|
Show InChI InChI=1S/C19H17N3O3/c1-22-18(23)15(9-14-7-8-16-17(10-14)25-12-24-16)21-19(22)20-11-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H,20,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 200n/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
Dual specificity protein kinase CLK3


(Mus musculus)
BDBM50347776
PNG
(CHEMBL1803067)
Show SMILES CN1C(=O)C(=Cc2ccc3OCOc3c2)N=C1NCc1ccccc1 |w:5.5,c:17|
Show InChI InChI=1S/C19H17N3O3/c1-22-18(23)15(9-14-7-8-16-17(10-14)25-12-24-16)21-19(22)20-11-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H,20,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 940n/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
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50347776
PNG
(CHEMBL1803067)
Show SMILES CN1C(=O)C(=Cc2ccc3OCOc3c2)N=C1NCc1ccccc1 |w:5.5,c:17|
Show InChI InChI=1S/C19H17N3O3/c1-22-18(23)15(9-14-7-8-16-17(10-14)25-12-24-16)21-19(22)20-11-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H,20,21)
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 tyrosine-(Y)-phosphorylation regulated kinase 1A


(RAT)
BDBM50347776
PNG
(CHEMBL1803067)
Show SMILES CN1C(=O)C(=Cc2ccc3OCOc3c2)N=C1NCc1ccccc1 |w:5.5,c:17|
Show InChI InChI=1S/C19H17N3O3/c1-22-18(23)15(9-14-7-8-16-17(10-14)25-12-24-16)21-19(22)20-11-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H,20,21)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 380n/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))
BDBM50347776
PNG
(CHEMBL1803067)
Show SMILES CN1C(=O)C(=Cc2ccc3OCOc3c2)N=C1NCc1ccccc1 |w:5.5,c:17|
Show InChI InChI=1S/C19H17N3O3/c1-22-18(23)15(9-14-7-8-16-17(10-14)25-12-24-16)21-19(22)20-11-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H,20,21)
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 560n/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
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50347776
PNG
(CHEMBL1803067)
Show SMILES CN1C(=O)C(=Cc2ccc3OCOc3c2)N=C1NCc1ccccc1 |w:5.5,c:17|
Show InChI InChI=1S/C19H17N3O3/c1-22-18(23)15(9-14-7-8-16-17(10-14)25-12-24-16)21-19(22)20-11-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H,20,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.70E+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