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Target
Sequence
Name
&
Ki
IC50
Kd
EC50
Rate constants
ΔG°
ΔH°
-TΔS°
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Target Names &
Ki
IC50
Kd
EC50
ΔG°
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Deposition
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Sent Comments
null
SMILES:
CCCNc1ccc2ncc(-c3ccc4[nH]ncc4c3)n2n1
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
10
hits for monomerid = 50587785
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 haspin
(Homo sapiens (Human))
BDBM50587785
(CHEMBL5178368)
Show SMILES
CCCNc1ccc2ncc(-c3ccc4[nH]ncc4c3)n2n1
Show InChI
PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
UniChem
Article
PubMed
n/a
n/a
2
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.ejmech.2021.113318
BindingDB Entry DOI:
10.7270/Q25Q5115
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1
(Homo sapiens (Human))
BDBM50587785
(CHEMBL5178368)
Show SMILES
CCCNc1ccc2ncc(-c3ccc4[nH]ncc4c3)n2n1
Show InChI
PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
UniChem
Article
PubMed
n/a
n/a
29
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.ejmech.2022.114369
BindingDB Entry DOI:
10.7270/Q2HQ440P
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase haspin
(Homo sapiens (Human))
BDBM50587785
(CHEMBL5178368)
Show SMILES
CCCNc1ccc2ncc(-c3ccc4[nH]ncc4c3)n2n1
Show InChI
PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
UniChem
Article
PubMed
n/a
n/a
3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.ejmech.2022.114369
BindingDB Entry DOI:
10.7270/Q2HQ440P
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1
(Mus musculus)
BDBM50587785
(CHEMBL5178368)
Show SMILES
CCCNc1ccc2ncc(-c3ccc4[nH]ncc4c3)n2n1
Show InChI
PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
Purchase
MCE
UniChem
Article
PubMed
n/a
n/a
8
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.ejmech.2022.114369
BindingDB Entry DOI:
10.7270/Q2HQ440P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3
(Homo sapiens (Human))
BDBM50587785
(CHEMBL5178368)
Show SMILES
CCCNc1ccc2ncc(-c3ccc4[nH]ncc4c3)n2n1
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
UniChem
Article
PubMed
n/a
n/a
119
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.ejmech.2022.114369
BindingDB Entry DOI:
10.7270/Q2HQ440P
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta
(Homo sapiens (Human))
BDBM50587785
(CHEMBL5178368)
Show SMILES
CCCNc1ccc2ncc(-c3ccc4[nH]ncc4c3)n2n1
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
UniChem
Article
PubMed
n/a
n/a
53
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.ejmech.2022.114369
BindingDB Entry DOI:
10.7270/Q2HQ440P
More data for this
Ligand-Target Pair
Casein kinase I isoform epsilon
(Homo sapiens (Human))
BDBM50587785
(CHEMBL5178368)
Show SMILES
CCCNc1ccc2ncc(-c3ccc4[nH]ncc4c3)n2n1
Show InChI
PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
UniChem
Article
PubMed
n/a
n/a
99
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.ejmech.2022.114369
BindingDB Entry DOI:
10.7270/Q2HQ440P
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1
(Homo sapiens (Human))
BDBM50587785
(CHEMBL5178368)
Show SMILES
CCCNc1ccc2ncc(-c3ccc4[nH]ncc4c3)n2n1
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
UniChem
Article
PubMed
n/a
n/a
41
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.ejmech.2022.114369
BindingDB Entry DOI:
10.7270/Q2HQ440P
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1
(Homo sapiens (Human))
BDBM50587785
(CHEMBL5178368)
Show SMILES
CCCNc1ccc2ncc(-c3ccc4[nH]ncc4c3)n2n1
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
UniChem
Article
PubMed
n/a
n/a
162
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.ejmech.2022.114369
BindingDB Entry DOI:
10.7270/Q2HQ440P
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(RAT)
BDBM50587785
(CHEMBL5178368)
Show SMILES
CCCNc1ccc2ncc(-c3ccc4[nH]ncc4c3)n2n1
Show InChI
PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
Purchase
MCE
UniChem
Article
PubMed
n/a
n/a
13
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.ejmech.2022.114369
BindingDB Entry DOI:
10.7270/Q2HQ440P
More data for this
Ligand-Target Pair
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