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BDBM50347763 CHEMBL1802846

SMILES: CC(C)CNC1=NC(=Cc2ccc3OCOc3c2)C(=O)N1C

InChI Key: InChIKey=JLSDXZDLSSIKNL-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 = 50347763   
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)
BDBM50347763
PNG
(CHEMBL1802846)
Show SMILES CC(C)CNC1=NC(=Cc2ccc3OCOc3c2)C(=O)N1C |w:8.8,t:5|
Show InChI InChI=1S/C16H19N3O3/c1-10(2)8-17-16-18-12(15(20)19(16)3)6-11-4-5-13-14(7-11)22-9-21-13/h4-7,10H,8-9H2,1-3H3,(H,17,18)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 120n/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)
BDBM50347763
PNG
(CHEMBL1802846)
Show SMILES CC(C)CNC1=NC(=Cc2ccc3OCOc3c2)C(=O)N1C |w:8.8,t:5|
Show InChI InChI=1S/C16H19N3O3/c1-10(2)8-17-16-18-12(15(20)19(16)3)6-11-4-5-13-14(7-11)22-9-21-13/h4-7,10H,8-9H2,1-3H3,(H,17,18)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 900n/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))
BDBM50347763
PNG
(CHEMBL1802846)
Show SMILES CC(C)CNC1=NC(=Cc2ccc3OCOc3c2)C(=O)N1C |w:8.8,t:5|
Show InChI InChI=1S/C16H19N3O3/c1-10(2)8-17-16-18-12(15(20)19(16)3)6-11-4-5-13-14(7-11)22-9-21-13/h4-7,10H,8-9H2,1-3H3,(H,17,18)
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 3.10E+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 tyrosine-(Y)-phosphorylation regulated kinase 1A


(RAT)
BDBM50347763
PNG
(CHEMBL1802846)
Show SMILES CC(C)CNC1=NC(=Cc2ccc3OCOc3c2)C(=O)N1C |w:8.8,t:5|
Show InChI InChI=1S/C16H19N3O3/c1-10(2)8-17-16-18-12(15(20)19(16)3)6-11-4-5-13-14(7-11)22-9-21-13/h4-7,10H,8-9H2,1-3H3,(H,17,18)
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))
BDBM50347763
PNG
(CHEMBL1802846)
Show SMILES CC(C)CNC1=NC(=Cc2ccc3OCOc3c2)C(=O)N1C |w:8.8,t:5|
Show InChI InChI=1S/C16H19N3O3/c1-10(2)8-17-16-18-12(15(20)19(16)3)6-11-4-5-13-14(7-11)22-9-21-13/h4-7,10H,8-9H2,1-3H3,(H,17,18)
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 210n/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))
BDBM50347763
PNG
(CHEMBL1802846)
Show SMILES CC(C)CNC1=NC(=Cc2ccc3OCOc3c2)C(=O)N1C |w:8.8,t:5|
Show InChI InChI=1S/C16H19N3O3/c1-10(2)8-17-16-18-12(15(20)19(16)3)6-11-4-5-13-14(7-11)22-9-21-13/h4-7,10H,8-9H2,1-3H3,(H,17,18)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.00E+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