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Target
Sequence
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IC50
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EC50
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Ki
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null
SMILES:
CNC(=O)[C@]1(C)CC[C@H](C1)Nc1ncc2c(Br)nn(-c3ccc(cc3)-c3nnc(C)s3)c2n1
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
12
hits for monomerid = 50591066
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
eIF-2-alpha kinase GCN2
(Homo sapiens (Human))
BDBM50591066
(CHEMBL5190023)
Show SMILES
CNC(=O)[C@]1(C)CC[C@H](C1)Nc1ncc2c(Br)nn(-c3ccc(cc3)-c3nnc(C)s3)c2n1 |r|
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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
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c00736
BindingDB Entry DOI:
10.7270/Q27H1PJS
More data for this
Ligand-Target Pair
eIF-2-alpha kinase GCN2
(Homo sapiens (Human))
BDBM50591066
(CHEMBL5190023)
Show SMILES
CNC(=O)[C@]1(C)CC[C@H](C1)Nc1ncc2c(Br)nn(-c3ccc(cc3)-c3nnc(C)s3)c2n1 |r|
Show InChI
PDB
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KEGG
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antibodypedia
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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
16
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c00736
BindingDB Entry DOI:
10.7270/Q27H1PJS
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 2-alpha kinase 1
(Homo sapiens (Human))
BDBM50591066
(CHEMBL5190023)
Show SMILES
CNC(=O)[C@]1(C)CC[C@H](C1)Nc1ncc2c(Br)nn(-c3ccc(cc3)-c3nnc(C)s3)c2n1 |r|
Show InChI
KEGG
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antibodypedia
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MCE
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
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c00736
BindingDB Entry DOI:
10.7270/Q27H1PJS
More data for this
Ligand-Target Pair
Interferon-induced, double-stranded RNA-activated protein kinase
(Homo sapiens (Human))
BDBM50591066
(CHEMBL5190023)
Show SMILES
CNC(=O)[C@]1(C)CC[C@H](C1)Nc1ncc2c(Br)nn(-c3ccc(cc3)-c3nnc(C)s3)c2n1 |r|
Show InChI
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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
>5.00E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c00736
BindingDB Entry DOI:
10.7270/Q27H1PJS
More data for this
Ligand-Target Pair
Eukaryotic translation initiation factor 2-alpha kinase 3
(Homo sapiens (Human))
BDBM50591066
(CHEMBL5190023)
Show SMILES
CNC(=O)[C@]1(C)CC[C@H](C1)Nc1ncc2c(Br)nn(-c3ccc(cc3)-c3nnc(C)s3)c2n1 |r|
Show InChI
PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
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Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
>5.00E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c00736
BindingDB Entry DOI:
10.7270/Q27H1PJS
More data for this
Ligand-Target Pair
eIF-2-alpha kinase GCN2
(Homo sapiens (Human))
BDBM50591066
(CHEMBL5190023)
Show SMILES
CNC(=O)[C@]1(C)CC[C@H](C1)Nc1ncc2c(Br)nn(-c3ccc(cc3)-c3nnc(C)s3)c2n1 |r|
Show InChI
PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
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AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
1.31E+3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c00736
BindingDB Entry DOI:
10.7270/Q27H1PJS
More data for this
Ligand-Target Pair
Cyclin-dependent kinase-like 2
(Homo sapiens (Human))
BDBM50591066
(CHEMBL5190023)
Show SMILES
CNC(=O)[C@]1(C)CC[C@H](C1)Nc1ncc2c(Br)nn(-c3ccc(cc3)-c3nnc(C)s3)c2n1 |r|
Show InChI
PDB
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antibodypedia
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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
165
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c00736
BindingDB Entry DOI:
10.7270/Q27H1PJS
More data for this
Ligand-Target Pair
Cyclin-dependent kinase-like 3
(Homo sapiens (Human))
BDBM50591066
(CHEMBL5190023)
Show SMILES
CNC(=O)[C@]1(C)CC[C@H](C1)Nc1ncc2c(Br)nn(-c3ccc(cc3)-c3nnc(C)s3)c2n1 |r|
Show InChI
PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
143
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c00736
BindingDB Entry DOI:
10.7270/Q27H1PJS
More data for this
Ligand-Target Pair
Cyclin-dependent kinase-like 4
(Homo sapiens)
BDBM50591066
(CHEMBL5190023)
Show SMILES
CNC(=O)[C@]1(C)CC[C@H](C1)Nc1ncc2c(Br)nn(-c3ccc(cc3)-c3nnc(C)s3)c2n1 |r|
Show InChI
KEGG
UniProtKB/SwissProt
GoogleScholar
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Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
118
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c00736
BindingDB Entry DOI:
10.7270/Q27H1PJS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10
(Homo sapiens (Human))
BDBM50591066
(CHEMBL5190023)
Show SMILES
CNC(=O)[C@]1(C)CC[C@H](C1)Nc1ncc2c(Br)nn(-c3ccc(cc3)-c3nnc(C)s3)c2n1 |r|
Show InChI
PDB
MMDB
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Reactome pathway
KEGG
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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
101
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c00736
BindingDB Entry DOI:
10.7270/Q27H1PJS
More data for this
Ligand-Target Pair
Transcription initiation factor TFIID subunit 1-like
(Homo sapiens (Human))
BDBM50591066
(CHEMBL5190023)
Show SMILES
CNC(=O)[C@]1(C)CC[C@H](C1)Nc1ncc2c(Br)nn(-c3ccc(cc3)-c3nnc(C)s3)c2n1 |r|
Show InChI
PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
124
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c00736
BindingDB Entry DOI:
10.7270/Q27H1PJS
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin-D3
(Homo sapiens (Human))
BDBM50591066
(CHEMBL5190023)
Show SMILES
CNC(=O)[C@]1(C)CC[C@H](C1)Nc1ncc2c(Br)nn(-c3ccc(cc3)-c3nnc(C)s3)c2n1 |r|
Show InChI
PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
191
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c00736
BindingDB Entry DOI:
10.7270/Q27H1PJS
More data for this
Ligand-Target Pair
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