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Target
Sequence
Name
&
Ki
IC50
Kd
EC50
Rate constants
ΔG°
ΔH°
-TΔS°
pH (Enzymatic Assay)
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/
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Ki
IC50
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EC50
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Compile Data Set for Download or QSAR
Marvin 2D Structure
The following exact ligands are found in BindingDB
Wt: 405.4
BDBM50558812
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
(change energy unit to
kcal/mol
)
Found
57
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
Tyrosine-protein kinase BTK
(Homo sapiens (Human))
BDBM50558812
(CHEMBL4755698)
Show SMILES
Nc1ncnc2n(CC3CCN(CC3)C(=O)C=C)cc(-c3ccc4OCOc4c3)c12
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
22
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.ejmech.2021.113329
BindingDB Entry DOI:
10.7270/Q2X63S0Q
More data for this
Ligand-Target Pair
Cytochrome P450 1A2
(Homo sapiens (Human))
BDBM50558812
(CHEMBL4755698)
Show SMILES
Nc1ncnc2n(CC3CCN(CC3)C(=O)C=C)cc(-c3ccc4OCOc4c3)c12
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
60
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of human liver microsome CYP1A2 using phenacetin as substrate incubated for 5 mins followed by NADPH addition and further incubated for 10...
Citation and Details
Article DOI:
10.1016/j.ejmech.2017.12.079
BindingDB Entry DOI:
10.7270/Q2P272TR
More data for this
Ligand-Target Pair
Cytoplasmic tyrosine-protein kinase BMX
(Homo sapiens (Human))
BDBM50558812
(CHEMBL4755698)
Show SMILES
Nc1ncnc2n(CC3CCN(CC3)C(=O)C=C)cc(-c3ccc4OCOc4c3)c12
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
62
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of BMX (unknown origin)
Citation and Details
Article DOI:
10.1016/j.ejmech.2017.12.079
BindingDB Entry DOI:
10.7270/Q2P272TR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Yes
(Homo sapiens (Human))
BDBM50558812
(CHEMBL4755698)
Show SMILES
Nc1ncnc2n(CC3CCN(CC3)C(=O)C=C)cc(-c3ccc4OCOc4c3)c12
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
146
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of recombinant human YES using biotinyl-beta Abeta-Abeta AYQAEENTYDEYEN as substrate incubate for 30 mins by LANCE assay
Citation and Details
Article DOI:
10.1016/j.ejmech.2017.12.079
BindingDB Entry DOI:
10.7270/Q2P272TR
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 4 group A member 3
(Homo sapiens)
BDBM50558812
(CHEMBL4755698)
Show SMILES
Nc1ncnc2n(CC3CCN(CC3)C(=O)C=C)cc(-c3ccc4OCOc4c3)c12
Show InChI
PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
211
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of Tec (unknown origin)
Citation and Details
Article DOI:
10.1016/j.ejmech.2017.12.079
BindingDB Entry DOI:
10.7270/Q2P272TR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lyn
(Homo sapiens (Human))
BDBM50558812
(CHEMBL4755698)
Show SMILES
Nc1ncnc2n(CC3CCN(CC3)C(=O)C=C)cc(-c3ccc4OCOc4c3)c12
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
259
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of recombinant human LYN using biotinyl-beta Abeta-Abeta AKVEKIGEGTYGVVYK as substrate incubate for 120 mins by LANCE assay
Citation and Details
Article DOI:
10.1016/j.ejmech.2017.12.079
BindingDB Entry DOI:
10.7270/Q2P272TR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase TXK
(Homo sapiens (Human))
BDBM50558812
(CHEMBL4755698)
Show SMILES
Nc1ncnc2n(CC3CCN(CC3)C(=O)C=C)cc(-c3ccc4OCOc4c3)c12
Show InChI
PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
331
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of TXK (unknown origin)
Citation and Details
Article DOI:
10.1016/j.ejmech.2017.12.079
BindingDB Entry DOI:
10.7270/Q2P272TR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Blk
(Homo sapiens (Human))
BDBM50558812
(CHEMBL4755698)
Show SMILES
Nc1ncnc2n(CC3CCN(CC3)C(=O)C=C)cc(-c3ccc4OCOc4c3)c12
Show InChI
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
504
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of BLK (unknown origin)
Citation and Details
Article DOI:
10.1016/j.ejmech.2017.12.079
BindingDB Entry DOI:
10.7270/Q2P272TR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck
(Homo sapiens (Human))
BDBM50558812
(CHEMBL4755698)
Show SMILES
Nc1ncnc2n(CC3CCN(CC3)C(=O)C=C)cc(-c3ccc4OCOc4c3)c12
Show InChI
PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
637
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of recombinant human LCK using Ulight-Poly GAT[EAY(1:1:1)]n as substrate incubate for 10 mins by LANCE assay
Citation and Details
Article DOI:
10.1016/j.ejmech.2017.12.079
BindingDB Entry DOI:
10.7270/Q2P272TR
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret
(Homo sapiens (Human))
BDBM50558812
(CHEMBL4755698)
Show SMILES
Nc1ncnc2n(CC3CCN(CC3)C(=O)C=C)cc(-c3ccc4OCOc4c3)c12
Show InChI
PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
640
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of RET (unknown origin)
Citation and Details
Article DOI:
10.1016/j.ejmech.2017.12.079
BindingDB Entry DOI:
10.7270/Q2P272TR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Fgr
(Homo sapiens (Human))
BDBM50558812
(CHEMBL4755698)
Show SMILES
Nc1ncnc2n(CC3CCN(CC3)C(=O)C=C)cc(-c3ccc4OCOc4c3)c12
Show InChI
PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
657
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of FGR (unknown origin)
Citation and Details
Article DOI:
10.1016/j.ejmech.2017.12.079
BindingDB Entry DOI:
10.7270/Q2P272TR
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human))
BDBM50558812
(CHEMBL4755698)
Show SMILES
Nc1ncnc2n(CC3CCN(CC3)C(=O)C=C)cc(-c3ccc4OCOc4c3)c12
Show InChI
PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
1.00E+3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of recombinant human SRC using Ulight-Poly GAT[EAY(1:1:1)]n as substrate incubate for 10 mins by LANCE assay
Citation and Details
Article DOI:
10.1016/j.ejmech.2017.12.079
BindingDB Entry DOI:
10.7270/Q2P272TR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Fyn
(Homo sapiens (Human))
BDBM50558812
(CHEMBL4755698)
Show SMILES
Nc1ncnc2n(CC3CCN(CC3)C(=O)C=C)cc(-c3ccc4OCOc4c3)c12
Show InChI
PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
1.01E+3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of recombinant human FYN using biotinyl-beta Abeta-Abeta AYQAEENTYDEYEN as substrate incubate for 60 mins by LANCE assay
Citation and Details
Article DOI:
10.1016/j.ejmech.2017.12.079
BindingDB Entry DOI:
10.7270/Q2P272TR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase HCK
(Homo sapiens (Human))
BDBM50558812
(CHEMBL4755698)
Show SMILES
Nc1ncnc2n(CC3CCN(CC3)C(=O)C=C)cc(-c3ccc4OCOc4c3)c12
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
1.11E+3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of HCK (unknown origin)
Citation and Details
Article DOI:
10.1016/j.ejmech.2017.12.079
BindingDB Entry DOI:
10.7270/Q2P272TR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase FRK
(Homo sapiens (Human))
BDBM50558812
(CHEMBL4755698)
Show SMILES
Nc1ncnc2n(CC3CCN(CC3)C(=O)C=C)cc(-c3ccc4OCOc4c3)c12
Show InChI
PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
1.13E+3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of FRK (unknown origin)
Citation and Details
Article DOI:
10.1016/j.ejmech.2017.12.079
BindingDB Entry DOI:
10.7270/Q2P272TR
More data for this
Ligand-Target Pair
Cytochrome P450 3A4
(Homo sapiens (Human))
BDBM50558812
(CHEMBL4755698)
Show SMILES
Nc1ncnc2n(CC3CCN(CC3)C(=O)C=C)cc(-c3ccc4OCOc4c3)c12
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
3.19E+3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of human liver microsome CYP3A4 using dextromethorphan as substrate incubated for 5 mins followed by NADPH addition and further incubated ...
Citation and Details
Article DOI:
10.1016/j.ejmech.2017.12.079
BindingDB Entry DOI:
10.7270/Q2P272TR
More data for this
Ligand-Target Pair
Cytochrome P450 2C9
(Homo sapiens (Human))
BDBM50558812
(CHEMBL4755698)
Show SMILES
Nc1ncnc2n(CC3CCN(CC3)C(=O)C=C)cc(-c3ccc4OCOc4c3)c12
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
3.54E+3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of human liver microsome CYP2C9 using tolbutamide as substrate incubated for 5 mins followed by NADPH addition and further incubated for 1...
Citation and Details
Article DOI:
10.1016/j.ejmech.2017.12.079
BindingDB Entry DOI:
10.7270/Q2P272TR
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 2
(Homo sapiens (Human))
BDBM50558812
(CHEMBL4755698)
Show SMILES
Nc1ncnc2n(CC3CCN(CC3)C(=O)C=C)cc(-c3ccc4OCOc4c3)c12
Show InChI
PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
>1.00E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of MEKK2 (unknown origin)
Citation and Details
Article DOI:
10.1016/j.ejmech.2017.12.079
BindingDB Entry DOI:
10.7270/Q2P272TR
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 3
(Homo sapiens (Human))
BDBM50558812
(CHEMBL4755698)
Show SMILES
Nc1ncnc2n(CC3CCN(CC3)C(=O)C=C)cc(-c3ccc4OCOc4c3)c12
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
>1.00E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of MEKK3 (unknown origin)
Citation and Details
Article DOI:
10.1016/j.ejmech.2017.12.079
BindingDB Entry DOI:
10.7270/Q2P272TR
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 4
(Homo sapiens (Human))
BDBM50558812
(CHEMBL4755698)
Show SMILES
Nc1ncnc2n(CC3CCN(CC3)C(=O)C=C)cc(-c3ccc4OCOc4c3)c12
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
>1.00E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of MKK4 (unknown origin)
Citation and Details
Article DOI:
10.1016/j.ejmech.2017.12.079
BindingDB Entry DOI:
10.7270/Q2P272TR
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 6
(Homo sapiens (Human))
BDBM50558812
(CHEMBL4755698)
Show SMILES
Nc1ncnc2n(CC3CCN(CC3)C(=O)C=C)cc(-c3ccc4OCOc4c3)c12
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
>1.00E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of MKK6 (unknown origin)
Citation and Details
Article DOI:
10.1016/j.ejmech.2017.12.079
BindingDB Entry DOI:
10.7270/Q2P272TR
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase beta-1
(Homo sapiens (Human))
BDBM50558812
(CHEMBL4755698)
Show SMILES
Nc1ncnc2n(CC3CCN(CC3)C(=O)C=C)cc(-c3ccc4OCOc4c3)c12
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
>1.00E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of recombinant human p70S6K using CREBtide as substrate incubate for 15 mins by LANCE assay
Citation and Details
Article DOI:
10.1016/j.ejmech.2017.12.079
BindingDB Entry DOI:
10.7270/Q2P272TR
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human))
BDBM50558812
(CHEMBL4755698)
Show SMILES
Nc1ncnc2n(CC3CCN(CC3)C(=O)C=C)cc(-c3ccc4OCOc4c3)c12
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
>1.00E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of mTOR (unknown origin)
Citation and Details
Article DOI:
10.1016/j.ejmech.2017.12.079
BindingDB Entry DOI:
10.7270/Q2P272TR
More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor
(Homo sapiens (Human))
BDBM50558812
(CHEMBL4755698)
Show SMILES
Nc1ncnc2n(CC3CCN(CC3)C(=O)C=C)cc(-c3ccc4OCOc4c3)c12
Show InChI
PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
>1.00E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of recombinant human FMS using Ulight-TK peptide as substrate incubate for 15 mins by LANCE assay
Citation and Details
Article DOI:
10.1016/j.ejmech.2017.12.079
BindingDB Entry DOI:
10.7270/Q2P272TR
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human))
BDBM50558812
(CHEMBL4755698)
Show SMILES
Nc1ncnc2n(CC3CCN(CC3)C(=O)C=C)cc(-c3ccc4OCOc4c3)c12
Show InChI
PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
>1.00E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of FLT3 (unknown origin)
Citation and Details
Article DOI:
10.1016/j.ejmech.2017.12.079
BindingDB Entry DOI:
10.7270/Q2P272TR
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 2
(Homo sapiens (Human))
BDBM50558812
(CHEMBL4755698)
Show SMILES
Nc1ncnc2n(CC3CCN(CC3)C(=O)C=C)cc(-c3ccc4OCOc4c3)c12
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
>1.00E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of MEK2 (unknown origin)
Citation and Details
Article DOI:
10.1016/j.ejmech.2017.12.079
BindingDB Entry DOI:
10.7270/Q2P272TR
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-1
(Homo sapiens (Human))
BDBM50558812
(CHEMBL4755698)
Show SMILES
Nc1ncnc2n(CC3CCN(CC3)C(=O)C=C)cc(-c3ccc4OCOc4c3)c12
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
>1.00E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of RSK1 (unknown origin)
Citation and Details
Article DOI:
10.1016/j.ejmech.2017.12.079
BindingDB Entry DOI:
10.7270/Q2P272TR
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human))
BDBM50558812
(CHEMBL4755698)
Show SMILES
Nc1ncnc2n(CC3CCN(CC3)C(=O)C=C)cc(-c3ccc4OCOc4c3)c12
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
>1.00E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of recombinant human MEK1 using inactivated ERK2 as substrate incubate for 60 mins by LANCE assay
Citation and Details
Article DOI:
10.1016/j.ejmech.2017.12.079
BindingDB Entry DOI:
10.7270/Q2P272TR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase CSK
(Homo sapiens (Human))
BDBM50558812
(CHEMBL4755698)
Show SMILES
Nc1ncnc2n(CC3CCN(CC3)C(=O)C=C)cc(-c3ccc4OCOc4c3)c12
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
>1.00E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of CSK (unknown origin)
Citation and Details
Article DOI:
10.1016/j.ejmech.2017.12.079
BindingDB Entry DOI:
10.7270/Q2P272TR
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase kinase 2
(Homo sapiens (Human))
BDBM50558812
(CHEMBL4755698)
Show SMILES
Nc1ncnc2n(CC3CCN(CC3)C(=O)C=C)cc(-c3ccc4OCOc4c3)c12
Show InChI
PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
>1.00E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of CAMKK2 (unknown origin)
Citation and Details
Article DOI:
10.1016/j.ejmech.2017.12.079
BindingDB Entry DOI:
10.7270/Q2P272TR
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase kinase 1
(Homo sapiens (Human))
BDBM50558812
(CHEMBL4755698)
Show SMILES
Nc1ncnc2n(CC3CCN(CC3)C(=O)C=C)cc(-c3ccc4OCOc4c3)c12
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
>1.00E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of CAMKK1 (unknown origin)
Citation and Details
Article DOI:
10.1016/j.ejmech.2017.12.079
BindingDB Entry DOI:
10.7270/Q2P272TR
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type IV
(Homo sapiens (Human))
BDBM50558812
(CHEMBL4755698)
Show SMILES
Nc1ncnc2n(CC3CCN(CC3)C(=O)C=C)cc(-c3ccc4OCOc4c3)c12
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
>1.00E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of CAMK4 (unknown origin)
Citation and Details
Article DOI:
10.1016/j.ejmech.2017.12.079
BindingDB Entry DOI:
10.7270/Q2P272TR
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type II subunit beta
(Homo sapiens (Human))
BDBM50558812
(CHEMBL4755698)
Show SMILES
Nc1ncnc2n(CC3CCN(CC3)C(=O)C=C)cc(-c3ccc4OCOc4c3)c12
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
>1.00E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of CAMK2 (unknown origin)
Citation and Details
Article DOI:
10.1016/j.ejmech.2017.12.079
BindingDB Entry DOI:
10.7270/Q2P272TR
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent protein kinase type 1
(Homo sapiens (Human))
BDBM50558812
(CHEMBL4755698)
Show SMILES
Nc1ncnc2n(CC3CCN(CC3)C(=O)C=C)cc(-c3ccc4OCOc4c3)c12
Show InChI
PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
>1.00E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of CAMK1 (unknown origin)
Citation and Details
Article DOI:
10.1016/j.ejmech.2017.12.079
BindingDB Entry DOI:
10.7270/Q2P272TR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2
(Homo sapiens (Human))
BDBM50558812
(CHEMBL4755698)
Show SMILES
Nc1ncnc2n(CC3CCN(CC3)C(=O)C=C)cc(-c3ccc4OCOc4c3)c12
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
>1.00E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of recombinant human JAK2 using Ulight-CAGAGAIETDKEYYTVKD as substrate incubate for 60 mins by LANCE assay
Citation and Details
Article DOI:
10.1016/j.ejmech.2017.12.079
BindingDB Entry DOI:
10.7270/Q2P272TR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1
(Homo sapiens (Human))
BDBM50558812
(CHEMBL4755698)
Show SMILES
Nc1ncnc2n(CC3CCN(CC3)C(=O)C=C)cc(-c3ccc4OCOc4c3)c12
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
>1.00E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of JAK1 (unknown origin)
Citation and Details
Article DOI:
10.1016/j.ejmech.2017.12.079
BindingDB Entry DOI:
10.7270/Q2P272TR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3
(Homo sapiens (Human))
BDBM50558812
(CHEMBL4755698)
Show SMILES
Nc1ncnc2n(CC3CCN(CC3)C(=O)C=C)cc(-c3ccc4OCOc4c3)c12
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
>1.00E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of recombinant human JAK3 using Ulight-CAGAGAIETDKEYYTVKD as substrate incubate for 60 mins by LANCE assay
Citation and Details
Article DOI:
10.1016/j.ejmech.2017.12.079
BindingDB Entry DOI:
10.7270/Q2P272TR
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 7
(Homo sapiens (Human))
BDBM50558812
(CHEMBL4755698)
Show SMILES
Nc1ncnc2n(CC3CCN(CC3)C(=O)C=C)cc(-c3ccc4OCOc4c3)c12
Show InChI
PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
>1.00E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of MKK7beta (unknown origin)
Citation and Details
Article DOI:
10.1016/j.ejmech.2017.12.079
BindingDB Entry DOI:
10.7270/Q2P272TR
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-4
(Homo sapiens (Human))
BDBM50558812
(CHEMBL4755698)
Show SMILES
Nc1ncnc2n(CC3CCN(CC3)C(=O)C=C)cc(-c3ccc4OCOc4c3)c12
Show InChI
PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
>1.00E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of ErBB4 (unknown origin)
Citation and Details
Article DOI:
10.1016/j.ejmech.2017.12.079
BindingDB Entry DOI:
10.7270/Q2P272TR
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human))
BDBM50558812
(CHEMBL4755698)
Show SMILES
Nc1ncnc2n(CC3CCN(CC3)C(=O)C=C)cc(-c3ccc4OCOc4c3)c12
Show InChI
PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
>1.00E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of ErBB2 (unknown origin)
Citation and Details
Article DOI:
10.1016/j.ejmech.2017.12.079
BindingDB Entry DOI:
10.7270/Q2P272TR
More data for this
Ligand-Target Pair
Epidermal growth factor receptor
(Homo sapiens (Human))
BDBM50558812
(CHEMBL4755698)
Show SMILES
Nc1ncnc2n(CC3CCN(CC3)C(=O)C=C)cc(-c3ccc4OCOc4c3)c12
Show InChI
PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
>1.00E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of recombinant human EGFR using Ulight-CAGAGAIETDKEYYTVKD as substrate incubate for 15 mins by LANCE assay
Citation and Details
Article DOI:
10.1016/j.ejmech.2017.12.079
BindingDB Entry DOI:
10.7270/Q2P272TR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK
(Homo sapiens (Human))
BDBM50558812
(CHEMBL4755698)
Show SMILES
Nc1ncnc2n(CC3CCN(CC3)C(=O)C=C)cc(-c3ccc4OCOc4c3)c12
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
>1.00E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of ITK (unknown origin)
Citation and Details
Article DOI:
10.1016/j.ejmech.2017.12.079
BindingDB Entry DOI:
10.7270/Q2P272TR
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3
(Homo sapiens (Human))
BDBM50558812
(CHEMBL4755698)
Show SMILES
Nc1ncnc2n(CC3CCN(CC3)C(=O)C=C)cc(-c3ccc4OCOc4c3)c12
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
>1.00E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of recombinant human RSK2 using Histone H3 full length as substrate incubate for 10 mins by LANCE assay
Citation and Details
Article DOI:
10.1016/j.ejmech.2017.12.079
BindingDB Entry DOI:
10.7270/Q2P272TR
More data for this
Ligand-Target Pair
NT-3 growth factor receptor
(Homo sapiens (Human))
BDBM50558812
(CHEMBL4755698)
Show SMILES
Nc1ncnc2n(CC3CCN(CC3)C(=O)C=C)cc(-c3ccc4OCOc4c3)c12
Show InChI
PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
>1.00E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of TRKc (unknown origin)
Citation and Details
Article DOI:
10.1016/j.ejmech.2017.12.079
BindingDB Entry DOI:
10.7270/Q2P272TR
More data for this
Ligand-Target Pair
BDNF/NT-3 growth factors receptor
(Homo sapiens (Human))
BDBM50558812
(CHEMBL4755698)
Show SMILES
Nc1ncnc2n(CC3CCN(CC3)C(=O)C=C)cc(-c3ccc4OCOc4c3)c12
Show InChI
PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
>1.00E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of recombinant human TRKb using Ulight-Poly GAT[EAY(1:1:1)]n as substrate incubate for 10 mins by LANCE assay
Citation and Details
Article DOI:
10.1016/j.ejmech.2017.12.079
BindingDB Entry DOI:
10.7270/Q2P272TR
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor
(Homo sapiens (Human))
BDBM50558812
(CHEMBL4755698)
Show SMILES
Nc1ncnc2n(CC3CCN(CC3)C(=O)C=C)cc(-c3ccc4OCOc4c3)c12
Show InChI
PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
>1.00E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of recombinant human TRKa using Ulight-Poly GAT[EAY(1:1:1)]n as substrate incubate for 10 mins by LANCE assay
Citation and Details
Article DOI:
10.1016/j.ejmech.2017.12.079
BindingDB Entry DOI:
10.7270/Q2P272TR
More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK
(Homo sapiens (Human))
BDBM50558812
(CHEMBL4755698)
Show SMILES
Nc1ncnc2n(CC3CCN(CC3)C(=O)C=C)cc(-c3ccc4OCOc4c3)c12
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
>1.00E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of SYK (unknown origin)
Citation and Details
Article DOI:
10.1016/j.ejmech.2017.12.079
BindingDB Entry DOI:
10.7270/Q2P272TR
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7
(Homo sapiens (Human))
BDBM50558812
(CHEMBL4755698)
Show SMILES
Nc1ncnc2n(CC3CCN(CC3)C(=O)C=C)cc(-c3ccc4OCOc4c3)c12
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
>1.00E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of recombinant human TAK1 using Ulight-FLGFTYVAP as substrate incubate for 90 mins by LANCE assay
Citation and Details
Article DOI:
10.1016/j.ejmech.2017.12.079
BindingDB Entry DOI:
10.7270/Q2P272TR
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-6
(Homo sapiens (Human))
BDBM50558812
(CHEMBL4755698)
Show SMILES
Nc1ncnc2n(CC3CCN(CC3)C(=O)C=C)cc(-c3ccc4OCOc4c3)c12
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
>1.00E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of RSK4 (unknown origin)
Citation and Details
Article DOI:
10.1016/j.ejmech.2017.12.079
BindingDB Entry DOI:
10.7270/Q2P272TR
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-2
(Homo sapiens (Human))
BDBM50558812
(CHEMBL4755698)
Show SMILES
Nc1ncnc2n(CC3CCN(CC3)C(=O)C=C)cc(-c3ccc4OCOc4c3)c12
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
>1.00E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of RSK3 (unknown origin)
Citation and Details
Article DOI:
10.1016/j.ejmech.2017.12.079
BindingDB Entry DOI:
10.7270/Q2P272TR
More data for this
Ligand-Target Pair
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