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Target
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Compile Data Set for Download or QSAR
Marvin 2D Structure
The following exact ligands are found in BindingDB
Wt: 251.3
BDBM50026621
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
(change energy unit to
kcal/mol
)
Found
3
hits in this display
Target/Host
(Institution)
Ligand
Target/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
k
off
s
-1
k
on
M
-1
s
-1
pH
Temp
°C
Dual specificity protein kinase CLK1
(Homo sapiens (Human))
BDBM50026621
(CHEMBL3335365)
Show SMILES
CON(C)C(=O)c1cc2cc(OC)ccc2s1
Show InChI
InChI=1S/C12H13NO3S/c1-13(16-3)12(14)11-7-8-6-9(15-2)4-5-10(8)17-11/h4-7H,1-3H3
PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
CHEMBL
PC cid
PC sid
UniChem
Similars
Article
PubMed
n/a
n/a
100
n/a
n/a
n/a
n/a
n/a
n/a
Saarland University
Curated by
ChEMBL
Assay Description
Inhibition of recombinant Clk1 (unknown origin) using GRSRSRSRSR peptide substrate
ACS Med Chem Lett
5:
963
-
7
(2014)
Article DOI:
10.1021/ml500059y
BindingDB Entry DOI:
10.7270/Q28K7BPQ
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human))
BDBM50026621
(CHEMBL3335365)
Show SMILES
CON(C)C(=O)c1cc2cc(OC)ccc2s1
Show InChI
InChI=1S/C12H13NO3S/c1-13(16-3)12(14)11-7-8-6-9(15-2)4-5-10(8)17-11/h4-7H,1-3H3
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
CHEMBL
PC cid
PC sid
UniChem
Similars
Article
PubMed
n/a
n/a
900
n/a
n/a
n/a
n/a
n/a
n/a
Saarland University
Curated by
ChEMBL
Assay Description
Inhibition of recombinant Dyrk1A (unknown origin) using KKISGRLSPIMTEQ-NH2 peptide substrate
ACS Med Chem Lett
5:
963
-
7
(2014)
Article DOI:
10.1021/ml500059y
BindingDB Entry DOI:
10.7270/Q28K7BPQ
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1B
(Homo sapiens (Human))
BDBM50026621
(CHEMBL3335365)
Show SMILES
CON(C)C(=O)c1cc2cc(OC)ccc2s1
Show InChI
InChI=1S/C12H13NO3S/c1-13(16-3)12(14)11-7-8-6-9(15-2)4-5-10(8)17-11/h4-7H,1-3H3
PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
CHEMBL
PC cid
PC sid
UniChem
Similars
Article
PubMed
n/a
n/a
1.60E+3
n/a
n/a
n/a
n/a
n/a
n/a
Saarland University
Curated by
ChEMBL
Assay Description
Inhibition of recombinant Dyrk1B (unknown origin) using KKISGRLSPIMTEQ-NH2 peptide substrate
ACS Med Chem Lett
5:
963
-
7
(2014)
Article DOI:
10.1021/ml500059y
BindingDB Entry DOI:
10.7270/Q28K7BPQ
More data for this
Ligand-Target Pair