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Target
Sequence
Name
&
Ki
IC50
Kd
EC50
Rate constants
ΔG°
ΔH°
-TΔS°
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/
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Ki
IC50
Kd
EC50
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Compile Data Set for Download or QSAR
Marvin 2D Structure
The following exact ligands are found in BindingDB
Wt: 317.3
BDBM50563533
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
(change energy unit to
kcal/mol
)
Found
21
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
Homeodomain-interacting protein kinase 2
(Homo sapiens (Human))
BDBM50563533
(CHEMBL4777288)
Show SMILES
CC(C)(C)c1ccc(cc1)-c1coc2ccc(nc12)-c1cn[nH]c1
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/a
n/a
119
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of human recombinant HIPK2 using myelin substrate by radiometric scintillation assay
Citation and Details
Article DOI:
10.1016/j.ejmech.2021.113299
BindingDB Entry DOI:
10.7270/Q2KD22MP
More data for this
Ligand-Target Pair
3D Structure (crystal)
Homeodomain-interacting protein kinase 1
(Homo sapiens (Human))
BDBM50563533
(CHEMBL4777288)
Show SMILES
CC(C)(C)c1ccc(cc1)-c1coc2ccc(nc12)-c1cn[nH]c1
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/a
n/a
248
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of human recombinant HIPK1 using myelin substrate by radiometric scintillation assay
Citation and Details
Article DOI:
10.1016/j.ejmech.2021.113299
BindingDB Entry DOI:
10.7270/Q2KD22MP
More data for this
Ligand-Target Pair
3D Structure (crystal)
Homeodomain-interacting protein kinase 3
(Homo sapiens (Human))
BDBM50563533
(CHEMBL4777288)
Show SMILES
CC(C)(C)c1ccc(cc1)-c1coc2ccc(nc12)-c1cn[nH]c1
Show InChI
PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/a
n/a
476
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of human recombinant HIPK3 using myelin substrate by radiometric scintillation assay
Citation and Details
Article DOI:
10.1016/j.ejmech.2021.113299
BindingDB Entry DOI:
10.7270/Q2KD22MP
More data for this
Ligand-Target Pair
3D Structure (crystal)
Dual specificity protein kinase CLK1
(Homo sapiens (Human))
BDBM50563533
(CHEMBL4777288)
Show SMILES
CC(C)(C)c1ccc(cc1)-c1coc2ccc(nc12)-c1cn[nH]c1
Show InChI
PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/a
n/a
946
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of human recombinant CLK1 using ERMRPRKRQGSVR substrate by radiometric scintillation assay
Citation and Details
Article DOI:
10.1016/j.ejmech.2021.113299
BindingDB Entry DOI:
10.7270/Q2KD22MP
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK2
(Homo sapiens (Human))
BDBM50563533
(CHEMBL4777288)
Show SMILES
CC(C)(C)c1ccc(cc1)-c1coc2ccc(nc12)-c1cn[nH]c1
Show InChI
PDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/a
n/a
1.43E+3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of human recombinant CLK2 using YRRAAVPPSPSLSR substrate by radiometric scintillation assay
Citation and Details
Article DOI:
10.1016/j.ejmech.2021.113299
BindingDB Entry DOI:
10.7270/Q2KD22MP
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK4
(Homo sapiens (Human))
BDBM50563533
(CHEMBL4777288)
Show SMILES
CC(C)(C)c1ccc(cc1)-c1coc2ccc(nc12)-c1cn[nH]c1
Show InChI
PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/a
n/a
1.47E+3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of human recombinant CLK4 using YRRAAVPPSPSLS substrate by radiometric scintillation assay
Citation and Details
Article DOI:
10.1016/j.ejmech.2021.113299
BindingDB Entry DOI:
10.7270/Q2KD22MP
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human))
BDBM50563533
(CHEMBL4777288)
Show SMILES
CC(C)(C)c1ccc(cc1)-c1coc2ccc(nc12)-c1cn[nH]c1
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/a
n/a
>3.00E+3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of human full length recombinant DYRK1A using RRRFRPASPLRGPP substrate by radiometric scintillation assay
Citation and Details
Article DOI:
10.1016/j.ejmech.2021.113299
BindingDB Entry DOI:
10.7270/Q2KD22MP
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1B
(Homo sapiens (Human))
BDBM50563533
(CHEMBL4777288)
Show SMILES
CC(C)(C)c1ccc(cc1)-c1coc2ccc(nc12)-c1cn[nH]c1
Show InChI
PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/a
n/a
>3.00E+3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of human full length recombinant DYRK1B using RRRFRPASPLRGPP substrate by radiometric scintillation assay
Citation and Details
Article DOI:
10.1016/j.ejmech.2021.113299
BindingDB Entry DOI:
10.7270/Q2KD22MP
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 2
(Homo sapiens (Human))
BDBM50563533
(CHEMBL4777288)
Show SMILES
CC(C)(C)c1ccc(cc1)-c1coc2ccc(nc12)-c1cn[nH]c1
Show InChI
PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/a
n/a
>3.00E+3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of human full length recombinant DYRK2 using casein substrate by radiometric scintillation assay
Citation and Details
Article DOI:
10.1016/j.ejmech.2021.113299
BindingDB Entry DOI:
10.7270/Q2KD22MP
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK3
(Homo sapiens (Human))
BDBM50563533
(CHEMBL4777288)
Show SMILES
CC(C)(C)c1ccc(cc1)-c1coc2ccc(nc12)-c1cn[nH]c1
Show InChI
PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/a
n/a
>3.00E+3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of human full length recombinant CLK3 using ERMRPRKRQGSVR substrate by radiometric scintillation assay
Citation and Details
Article DOI:
10.1016/j.ejmech.2021.113299
BindingDB Entry DOI:
10.7270/Q2KD22MP
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK2
(Homo sapiens (Human))
BDBM50563533
(CHEMBL4777288)
Show SMILES
CC(C)(C)c1ccc(cc1)-c1coc2ccc(nc12)-c1cn[nH]c1
Show InChI
PDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/a
n/a
1.80E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of CLK2 (unknown origin) by NanoBRET cellular target engagement assay
Citation and Details
Article DOI:
10.1016/j.ejmech.2021.113299
BindingDB Entry DOI:
10.7270/Q2KD22MP
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK3
(Homo sapiens (Human))
BDBM50563533
(CHEMBL4777288)
Show SMILES
CC(C)(C)c1ccc(cc1)-c1coc2ccc(nc12)-c1cn[nH]c1
Show InChI
PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/a
n/a
4.30E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of CLK3 (unknown origin) by NanoBRET cellular target engagement assay
Citation and Details
Article DOI:
10.1016/j.ejmech.2021.113299
BindingDB Entry DOI:
10.7270/Q2KD22MP
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human))
BDBM50563533
(CHEMBL4777288)
Show SMILES
CC(C)(C)c1ccc(cc1)-c1coc2ccc(nc12)-c1cn[nH]c1
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/a
n/a
4.30E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of DYRK1A (unknown origin) by NanoBRET cellular target engagement assay
Citation and Details
Article DOI:
10.1016/j.ejmech.2021.113299
BindingDB Entry DOI:
10.7270/Q2KD22MP
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK4
(Homo sapiens (Human))
BDBM50563533
(CHEMBL4777288)
Show SMILES
CC(C)(C)c1ccc(cc1)-c1coc2ccc(nc12)-c1cn[nH]c1
Show InChI
PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/a
n/a
4.60E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of CLK4 (unknown origin) by NanoBRET cellular target engagement assay
Citation and Details
Article DOI:
10.1016/j.ejmech.2021.113299
BindingDB Entry DOI:
10.7270/Q2KD22MP
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 11
(Homo sapiens (Human))
BDBM50563533
(CHEMBL4777288)
Show SMILES
CC(C)(C)c1ccc(cc1)-c1coc2ccc(nc12)-c1cn[nH]c1
Show InChI
PDB
NCI pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/a
n/a
>5.00E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of MLK3 (unknown origin) by NanoBRET cellular target engagement assay
Citation and Details
Article DOI:
10.1016/j.ejmech.2021.113299
BindingDB Entry DOI:
10.7270/Q2KD22MP
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1B
(Homo sapiens (Human))
BDBM50563533
(CHEMBL4777288)
Show SMILES
CC(C)(C)c1ccc(cc1)-c1coc2ccc(nc12)-c1cn[nH]c1
Show InChI
PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/a
n/a
>5.00E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of DYRK1B (unknown origin) by NanoBRET cellular target engagement assay
Citation and Details
Article DOI:
10.1016/j.ejmech.2021.113299
BindingDB Entry DOI:
10.7270/Q2KD22MP
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 2
(Homo sapiens (Human))
BDBM50563533
(CHEMBL4777288)
Show SMILES
CC(C)(C)c1ccc(cc1)-c1coc2ccc(nc12)-c1cn[nH]c1
Show InChI
PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/a
n/a
>5.00E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of DYRK2 (unknown origin) by NanoBRET cellular target engagement assay
Citation and Details
Article DOI:
10.1016/j.ejmech.2021.113299
BindingDB Entry DOI:
10.7270/Q2KD22MP
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 9
(Homo sapiens (Human))
BDBM50563533
(CHEMBL4777288)
Show SMILES
CC(C)(C)c1ccc(cc1)-c1coc2ccc(nc12)-c1cn[nH]c1
Show InChI
PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/a
n/a
>5.00E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of MLK1 (unknown origin) by NanoBRET cellular target engagement assay
Citation and Details
Article DOI:
10.1016/j.ejmech.2021.113299
BindingDB Entry DOI:
10.7270/Q2KD22MP
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 10
(Homo sapiens (Human))
BDBM50563533
(CHEMBL4777288)
Show SMILES
CC(C)(C)c1ccc(cc1)-c1coc2ccc(nc12)-c1cn[nH]c1
Show InChI
PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/a
n/a
>5.00E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of MLK2 (unknown origin) by NanoBRET cellular target engagement assay
Citation and Details
Article DOI:
10.1016/j.ejmech.2021.113299
BindingDB Entry DOI:
10.7270/Q2KD22MP
More data for this
Ligand-Target Pair
Cyclin-dependent kinase-like 3
(Homo sapiens (Human))
BDBM50563533
(CHEMBL4777288)
Show SMILES
CC(C)(C)c1ccc(cc1)-c1coc2ccc(nc12)-c1cn[nH]c1
Show InChI
PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/a
n/a
>5.00E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of CDKL3 (unknown origin) by NanoBRET cellular target engagement assay
Citation and Details
Article DOI:
10.1016/j.ejmech.2021.113299
BindingDB Entry DOI:
10.7270/Q2KD22MP
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1
(Homo sapiens (Human))
BDBM50563533
(CHEMBL4777288)
Show SMILES
CC(C)(C)c1ccc(cc1)-c1coc2ccc(nc12)-c1cn[nH]c1
Show InChI
PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/a
n/a
>5.00E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of CLK1 (unknown origin) by NanoBRET cellular target engagement assay
Citation and Details
Article DOI:
10.1016/j.ejmech.2021.113299
BindingDB Entry DOI:
10.7270/Q2KD22MP
More data for this
Ligand-Target Pair