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Target
Sequence
Name
&
Ki
IC50
Kd
EC50
Rate constants
ΔG°
ΔH°
-TΔS°
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Ki
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EC50
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null
SMILES:
CN1Cc2nn(C)c(C#N)c2-c2cnc3[nH]cc(-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
9
hits for monomerid = 50585045
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
Calcium/calmodulin-dependent protein kinase type 1B
(Homo sapiens (Human))
BDBM50585045
(CHEMBL5093741)
Show SMILES
CN1Cc2nn(C)c(C#N)c2-c2cnc3[nH]cc(-c4cn(CCCC1=O)nc4C(F)(F)F)c3c2
Show InChI
UniProtKB/SwissProt
GoogleScholar
AffyNet
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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
830
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of CAMK1B (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
Serine/threonine-protein kinase Sgk1
(Homo sapiens (Human))
BDBM50585045
(CHEMBL5093741)
Show SMILES
CN1Cc2nn(C)c(C#N)c2-c2cnc3[nH]cc(-c4cn(CCCC1=O)nc4C(F)(F)F)c3c2
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
212
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
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human))
BDBM50585045
(CHEMBL5093741)
Show SMILES
CN1Cc2nn(C)c(C#N)c2-c2cnc3[nH]cc(-c4cn(CCCC1=O)nc4C(F)(F)F)c3c2
Show InChI
PDB
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
354
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of FLT3 (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
TRAF2 and NCK-interacting protein kinase
(Homo sapiens (Human))
BDBM50585045
(CHEMBL5093741)
Show SMILES
CN1Cc2nn(C)c(C#N)c2-c2cnc3[nH]cc(-c4cn(CCCC1=O)nc4C(F)(F)F)c3c2
Show InChI
PDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
87
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of TNIK (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
High affinity nerve growth factor receptor
(Homo sapiens (Human))
BDBM50585045
(CHEMBL5093741)
Show SMILES
CN1Cc2nn(C)c(C#N)c2-c2cnc3[nH]cc(-c4cn(CCCC1=O)nc4C(F)(F)F)c3c2
Show InChI
PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
477
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of TRKA (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 1A
(Homo sapiens (Human))
BDBM50585045
(CHEMBL5093741)
Show SMILES
CN1Cc2nn(C)c(C#N)c2-c2cnc3[nH]cc(-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
13
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
Dual specificity tyrosine-phosphorylation-regulated kinase 1B
(Homo sapiens (Human))
BDBM50585045
(CHEMBL5093741)
Show SMILES
CN1Cc2nn(C)c(C#N)c2-c2cnc3[nH]cc(-c4cn(CCCC1=O)nc4C(F)(F)F)c3c2
Show InChI
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
19
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))
BDBM50585045
(CHEMBL5093741)
Show SMILES
CN1Cc2nn(C)c(C#N)c2-c2cnc3[nH]cc(-c4cn(CCCC1=O)nc4C(F)(F)F)c3c2
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
173
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
Myosin light chain kinase, smooth muscle
(Homo sapiens (Human))
BDBM50585045
(CHEMBL5093741)
Show SMILES
CN1Cc2nn(C)c(C#N)c2-c2cnc3[nH]cc(-c4cn(CCCC1=O)nc4C(F)(F)F)c3c2
Show InChI
PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
334
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of MYLK (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
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