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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 433.2
BDBM50347813

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 3 hits in this display   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Dual specificity protein kinase CLK1


(Homo sapiens (Human))
BDBM50347813
PNG
(CHEMBL1802393)
Show SMILES Nc1ncc(-c2ccc(cc2)C(F)(F)F)c(n1)-c1c[nH]c2ccc(Br)cc12
Show InChI InChI=1S/C19H12BrF3N4/c20-12-5-6-16-13(7-12)15(9-25-16)17-14(8-26-18(24)27-17)10-1-3-11(4-2-10)19(21,22)23/h1-9,25H,(H2,24,26,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Clermont Universite£

Curated by ChEMBL


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


J Med Chem 54: 4474-89 (2011)


Article DOI: 10.1021/jm200464w
BindingDB Entry DOI: 10.7270/Q2ZW1M8P
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1


(Homo sapiens (Human))
BDBM50347813
PNG
(CHEMBL1802393)
Show SMILES Nc1ncc(-c2ccc(cc2)C(F)(F)F)c(n1)-c1c[nH]c2ccc(Br)cc12
Show InChI InChI=1S/C19H12BrF3N4/c20-12-5-6-16-13(7-12)15(9-25-16)17-14(8-26-18(24)27-17)10-1-3-11(4-2-10)19(21,22)23/h1-9,25H,(H2,24,26,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Clermont Universite£

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/p25 using Histone H1 and [gamma32]-ATP after 30 mins by scintillation counting


J Med Chem 54: 4474-89 (2011)


Article DOI: 10.1021/jm200464w
BindingDB Entry DOI: 10.7270/Q2ZW1M8P
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A


(RAT)
BDBM50347813
PNG
(CHEMBL1802393)
Show SMILES Nc1ncc(-c2ccc(cc2)C(F)(F)F)c(n1)-c1c[nH]c2ccc(Br)cc12
Show InChI InChI=1S/C19H12BrF3N4/c20-12-5-6-16-13(7-12)15(9-25-16)17-14(8-26-18(24)27-17)10-1-3-11(4-2-10)19(21,22)23/h1-9,25H,(H2,24,26,27)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Clermont Universite£

Curated by ChEMBL


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


J Med Chem 54: 4474-89 (2011)


Article DOI: 10.1021/jm200464w
BindingDB Entry DOI: 10.7270/Q2ZW1M8P
More data for this
Ligand-Target Pair