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Target
Sequence
Name
&
Ki
IC50
Kd
EC50
Rate constants
ΔG°
ΔH°
-TΔS°
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Ki
IC50
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null
SMILES:
CN1Cc2nn(C)c(C#N)c2-c2cnc3[nH]c(F)c(-c4cn(CCCC1=O)nc4C(F)(F)F)c3c2
InChI Key:
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
18
hits for monomerid = 50585046
Target/Host
(Institution)
Ligand
Target/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
k
off
s
-1
k
on
M
-1
s
-1
pH
Temp
°C
Serine/threonine-protein kinase Sgk1
(Homo sapiens (Human))
BDBM50585046
(CHEMBL5086263)
Show SMILES
CN1Cc2nn(C)c(C#N)c2-c2cnc3[nH]c(F)c(-c4cn(CCCC1=O)nc4C(F)(F)F)c3c2
Show InChI
PDB
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KEGG
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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
690
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of SGK (unknown origin) at 1 uM by kinome scan method
Citation and Details
Article DOI:
10.1021/acsmedchemlett.1c00630
BindingDB Entry DOI:
10.7270/Q2183BDB
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1B
(Homo sapiens (Human))
BDBM50585046
(CHEMBL5086263)
Show SMILES
CN1Cc2nn(C)c(C#N)c2-c2cnc3[nH]c(F)c(-c4cn(CCCC1=O)nc4C(F)(F)F)c3c2
Show InChI
PDB
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antibodypedia
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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
5
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of DYRK1B (unknown origin) at 1 uM by kinomescan method
Citation and Details
Article DOI:
10.1021/acsmedchemlett.1c00630
BindingDB Entry DOI:
10.7270/Q2183BDB
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1B
(Homo sapiens (Human))
BDBM50585046
(CHEMBL5086263)
Show SMILES
CN1Cc2nn(C)c(C#N)c2-c2cnc3[nH]c(F)c(-c4cn(CCCC1=O)nc4C(F)(F)F)c3c2
Show InChI
PDB
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antibodypedia
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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
5
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of DYRK1B (unknown origin) measured after 6 hrs in presence of ATP by Z'-LYTE assay
Citation and Details
Article DOI:
10.1021/acsmedchemlett.1c00630
BindingDB Entry DOI:
10.7270/Q2183BDB
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 4
(Homo sapiens (Human))
BDBM50585046
(CHEMBL5086263)
Show SMILES
CN1Cc2nn(C)c(C#N)c2-c2cnc3[nH]c(F)c(-c4cn(CCCC1=O)nc4C(F)(F)F)c3c2
Show InChI
PDB
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Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
132
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of MEK4 (unknown origin) at 1 uM by kinome scan method
Citation and Details
Article DOI:
10.1021/acsmedchemlett.1c00630
BindingDB Entry DOI:
10.7270/Q2183BDB
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 19
(Homo sapiens (Human))
BDBM50585046
(CHEMBL5086263)
Show SMILES
CN1Cc2nn(C)c(C#N)c2-c2cnc3[nH]c(F)c(-c4cn(CCCC1=O)nc4C(F)(F)F)c3c2
Show InChI
KEGG
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antibodypedia
GoogleScholar
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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
1.62E+3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of YSK4 (unknown origin) at 1 uM by kinome scan method
Citation and Details
Article DOI:
10.1021/acsmedchemlett.1c00630
BindingDB Entry DOI:
10.7270/Q2183BDB
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-6
(Homo sapiens (Human))
BDBM50585046
(CHEMBL5086263)
Show SMILES
CN1Cc2nn(C)c(C#N)c2-c2cnc3[nH]c(F)c(-c4cn(CCCC1=O)nc4C(F)(F)F)c3c2
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
GoogleScholar
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Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
37
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of RSK4 (unknown origin) at 1 uM by kinome scan method
Citation and Details
Article DOI:
10.1021/acsmedchemlett.1c00630
BindingDB Entry DOI:
10.7270/Q2183BDB
More data for this
Ligand-Target Pair
Focal adhesion kinase 1
(Homo sapiens (Human))
BDBM50585046
(CHEMBL5086263)
Show SMILES
CN1Cc2nn(C)c(C#N)c2-c2cnc3[nH]c(F)c(-c4cn(CCCC1=O)nc4C(F)(F)F)c3c2
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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DrugBank
antibodypedia
GoogleScholar
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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
210
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of FAK (unknown origin) at 1 uM by kinome scan method
Citation and Details
Article DOI:
10.1021/acsmedchemlett.1c00630
BindingDB Entry DOI:
10.7270/Q2183BDB
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3
(Homo sapiens (Human))
BDBM50585046
(CHEMBL5086263)
Show SMILES
CN1Cc2nn(C)c(C#N)c2-c2cnc3[nH]c(F)c(-c4cn(CCCC1=O)nc4C(F)(F)F)c3c2
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
182
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of RSK2 (unknown origin) at 1 uM by kinome scan method
Citation and Details
Article DOI:
10.1021/acsmedchemlett.1c00630
BindingDB Entry DOI:
10.7270/Q2183BDB
More data for this
Ligand-Target Pair
Misshapen-like kinase 1
(Homo sapiens (Human))
BDBM50585046
(CHEMBL5086263)
Show SMILES
CN1Cc2nn(C)c(C#N)c2-c2cnc3[nH]c(F)c(-c4cn(CCCC1=O)nc4C(F)(F)F)c3c2
Show InChI
PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
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Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
115
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of MINK1 (unknown origin) at 1 uM by kinome scan method
Citation and Details
Article DOI:
10.1021/acsmedchemlett.1c00630
BindingDB Entry DOI:
10.7270/Q2183BDB
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 8
(Homo sapiens (Human))
BDBM50585046
(CHEMBL5086263)
Show SMILES
CN1Cc2nn(C)c(C#N)c2-c2cnc3[nH]c(F)c(-c4cn(CCCC1=O)nc4C(F)(F)F)c3c2
Show InChI
PDB
MMDB
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KEGG
UniProtKB/SwissProt
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antibodypedia
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MCE
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 JNK1 (unknown origin) in human CAL-27 cells measured after 6 hrs by select screen kinase assay
Citation and Details
Article DOI:
10.1021/acsmedchemlett.1c00630
BindingDB Entry DOI:
10.7270/Q2183BDB
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9
(Homo sapiens (Human))
BDBM50585046
(CHEMBL5086263)
Show SMILES
CN1Cc2nn(C)c(C#N)c2-c2cnc3[nH]c(F)c(-c4cn(CCCC1=O)nc4C(F)(F)F)c3c2
Show InChI
PDB
MMDB
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KEGG
UniProtKB/SwissProt
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antibodypedia
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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
1.10E+3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of JNK2 (unknown origin) in human CAL-27 cells measured after 6 hrs by select screen kinase assay
Citation and Details
Article DOI:
10.1021/acsmedchemlett.1c00630
BindingDB Entry DOI:
10.7270/Q2183BDB
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10
(Homo sapiens (Human))
BDBM50585046
(CHEMBL5086263)
Show SMILES
CN1Cc2nn(C)c(C#N)c2-c2cnc3[nH]c(F)c(-c4cn(CCCC1=O)nc4C(F)(F)F)c3c2
Show InChI
PDB
MMDB
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KEGG
UniProtKB/SwissProt
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GoogleScholar
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MCE
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 JNK3 (unknown origin) in human CAL-27 cells measured after 6 hrs by select screen kinase assay
Citation and Details
Article DOI:
10.1021/acsmedchemlett.1c00630
BindingDB Entry DOI:
10.7270/Q2183BDB
More data for this
Ligand-Target Pair
Focal adhesion kinase 1
(Homo sapiens (Human))
BDBM50585046
(CHEMBL5086263)
Show SMILES
CN1Cc2nn(C)c(C#N)c2-c2cnc3[nH]c(F)c(-c4cn(CCCC1=O)nc4C(F)(F)F)c3c2
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
GoogleScholar
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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
90
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of FAK (unknown origin) in human CAL-27 cells measured after 6 hrs by select screen kinase assay
Citation and Details
Article DOI:
10.1021/acsmedchemlett.1c00630
BindingDB Entry DOI:
10.7270/Q2183BDB
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-1
(Homo sapiens (Human))
BDBM50585046
(CHEMBL5086263)
Show SMILES
CN1Cc2nn(C)c(C#N)c2-c2cnc3[nH]c(F)c(-c4cn(CCCC1=O)nc4C(F)(F)F)c3c2
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
82
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of RSK1 (unknown origin) in human CAL-27 cells measured after 6 hrs by select screen kinase assay
Citation and Details
Article DOI:
10.1021/acsmedchemlett.1c00630
BindingDB Entry DOI:
10.7270/Q2183BDB
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3
(Homo sapiens (Human))
BDBM50585046
(CHEMBL5086263)
Show SMILES
CN1Cc2nn(C)c(C#N)c2-c2cnc3[nH]c(F)c(-c4cn(CCCC1=O)nc4C(F)(F)F)c3c2
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
80
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of RSK2 (unknown origin) in human CAL-27 cells measured after 6 hrs by select screen kinase assay
Citation and Details
Article DOI:
10.1021/acsmedchemlett.1c00630
BindingDB Entry DOI:
10.7270/Q2183BDB
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-2
(Homo sapiens (Human))
BDBM50585046
(CHEMBL5086263)
Show SMILES
CN1Cc2nn(C)c(C#N)c2-c2cnc3[nH]c(F)c(-c4cn(CCCC1=O)nc4C(F)(F)F)c3c2
Show InChI
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
61
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of RSK3 (unknown origin) in human CAL-27 cells measured after 6 hrs by select screen kinase assay
Citation and Details
Article DOI:
10.1021/acsmedchemlett.1c00630
BindingDB Entry DOI:
10.7270/Q2183BDB
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human))
BDBM50585046
(CHEMBL5086263)
Show SMILES
CN1Cc2nn(C)c(C#N)c2-c2cnc3[nH]c(F)c(-c4cn(CCCC1=O)nc4C(F)(F)F)c3c2
Show InChI
PDB
MMDB
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KEGG
UniProtKB/SwissProt
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GoogleScholar
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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of DYRK1A (unknown origin) at 1 uM by kinomescan method
Citation and Details
Article DOI:
10.1021/acsmedchemlett.1c00630
BindingDB Entry DOI:
10.7270/Q2183BDB
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human))
BDBM50585046
(CHEMBL5086263)
Show SMILES
CN1Cc2nn(C)c(C#N)c2-c2cnc3[nH]c(F)c(-c4cn(CCCC1=O)nc4C(F)(F)F)c3c2
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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antibodypedia
GoogleScholar
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Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of DYRK1A (unknown origin) measured after 6 hrs in presence of ATP by Z'-LYTE assay
Citation and Details
Article DOI:
10.1021/acsmedchemlett.1c00630
BindingDB Entry DOI:
10.7270/Q2183BDB
More data for this
Ligand-Target Pair
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