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Target
Sequence
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Ki
IC50
Kd
EC50
Rate constants
ΔG°
ΔH°
-TΔS°
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Ki
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null
SMILES:
C(Nc1nc(Nc2cc([nH]n2)C2CC2)c2sccc2n1)c1ccccc1
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
6
hits for monomerid = 50602863
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
Glycogen synthase kinase-3 beta
(Homo sapiens (Human))
BDBM50602863
(CHEMBL1997924)
Show SMILES
C(Nc1nc(Nc2cc([nH]n2)C2CC2)c2sccc2n1)c1ccccc1
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
4.20
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.ejmech.2021.114054
BindingDB Entry DOI:
10.7270/Q20K2DM8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Fyn
(Homo sapiens (Human))
BDBM50602863
(CHEMBL1997924)
Show SMILES
C(Nc1nc(Nc2cc([nH]n2)C2CC2)c2sccc2n1)c1ccccc1
Show InChI
PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
2.20
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.ejmech.2021.114054
BindingDB Entry DOI:
10.7270/Q20K2DM8
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human))
BDBM50602863
(CHEMBL1997924)
Show SMILES
C(Nc1nc(Nc2cc([nH]n2)C2CC2)c2sccc2n1)c1ccccc1
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
3.77E+3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.ejmech.2021.114054
BindingDB Entry DOI:
10.7270/Q20K2DM8
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Fyn
(Homo sapiens (Human))
BDBM50602863
(CHEMBL1997924)
Show SMILES
C(Nc1nc(Nc2cc([nH]n2)C2CC2)c2sccc2n1)c1ccccc1
Show InChI
PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
91
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.ejmech.2021.114054
BindingDB Entry DOI:
10.7270/Q20K2DM8
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human))
BDBM50602863
(CHEMBL1997924)
Show SMILES
C(Nc1nc(Nc2cc([nH]n2)C2CC2)c2sccc2n1)c1ccccc1
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
903
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.ejmech.2021.114054
BindingDB Entry DOI:
10.7270/Q20K2DM8
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta
(Homo sapiens (Human))
BDBM50602863
(CHEMBL1997924)
Show SMILES
C(Nc1nc(Nc2cc([nH]n2)C2CC2)c2sccc2n1)c1ccccc1
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
9.5
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1016/j.ejmech.2021.114054
BindingDB Entry DOI:
10.7270/Q20K2DM8
More data for this
Ligand-Target Pair
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