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SMILES: CN1C(=O)C(=Cc2ccc3OCOc3c2)N=C1NCCCCCO

InChI Key: InChIKey=DDMNOPXTRPXXIY-UHFFFAOYSA-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 6 hits for monomerid = 50347771   
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)
BDBM50347771
PNG
(CHEMBL1802854)
Show SMILES CN1C(=O)C(=Cc2ccc3OCOc3c2)N=C1NCCCCCO |w:5.5,c:17|
Show InChI InChI=1S/C17H21N3O4/c1-20-16(22)13(19-17(20)18-7-3-2-4-8-21)9-12-5-6-14-15(10-12)24-11-23-14/h5-6,9-10,21H,2-4,7-8,11H2,1H3,(H,18,19)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 140n/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)
BDBM50347771
PNG
(CHEMBL1802854)
Show SMILES CN1C(=O)C(=Cc2ccc3OCOc3c2)N=C1NCCCCCO |w:5.5,c:17|
Show InChI InChI=1S/C17H21N3O4/c1-20-16(22)13(19-17(20)18-7-3-2-4-8-21)9-12-5-6-14-15(10-12)24-11-23-14/h5-6,9-10,21H,2-4,7-8,11H2,1H3,(H,18,19)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.00E+3n/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 activator 1


(Homo sapiens (Human))
BDBM50347771
PNG
(CHEMBL1802854)
Show SMILES CN1C(=O)C(=Cc2ccc3OCOc3c2)N=C1NCCCCCO |w:5.5,c:17|
Show InChI InChI=1S/C17H21N3O4/c1-20-16(22)13(19-17(20)18-7-3-2-4-8-21)9-12-5-6-14-15(10-12)24-11-23-14/h5-6,9-10,21H,2-4,7-8,11H2,1H3,(H,18,19)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

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antibodypedia
antibodypedia
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PC sid
UniChem

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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-phosphorylation-regulated kinase 1A


(RAT)
BDBM50347771
PNG
(CHEMBL1802854)
Show SMILES CN1C(=O)C(=Cc2ccc3OCOc3c2)N=C1NCCCCCO |w:5.5,c:17|
Show InChI InChI=1S/C17H21N3O4/c1-20-16(22)13(19-17(20)18-7-3-2-4-8-21)9-12-5-6-14-15(10-12)24-11-23-14/h5-6,9-10,21H,2-4,7-8,11H2,1H3,(H,18,19)
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 2.10E+3n/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))
BDBM50347771
PNG
(CHEMBL1802854)
Show SMILES CN1C(=O)C(=Cc2ccc3OCOc3c2)N=C1NCCCCCO |w:5.5,c:17|
Show InChI InChI=1S/C17H21N3O4/c1-20-16(22)13(19-17(20)18-7-3-2-4-8-21)9-12-5-6-14-15(10-12)24-11-23-14/h5-6,9-10,21H,2-4,7-8,11H2,1H3,(H,18,19)
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

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

Similars

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 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-1


(Homo sapiens (Human))
BDBM50347771
PNG
(CHEMBL1802854)
Show SMILES CN1C(=O)C(=Cc2ccc3OCOc3c2)N=C1NCCCCCO |w:5.5,c:17|
Show InChI InChI=1S/C17H21N3O4/c1-20-16(22)13(19-17(20)18-7-3-2-4-8-21)9-12-5-6-14-15(10-12)24-11-23-14/h5-6,9-10,21H,2-4,7-8,11H2,1H3,(H,18,19)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 6.10E+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