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Target
Sequence
Name
&
Ki
IC50
Kd
EC50
Rate constants
ΔG°
ΔH°
-TΔS°
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Ki
IC50
Kd
EC50
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null
SMILES:
CN1CCC(=CC1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(Sc2nc3ccccc3n2C)cc1
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
4
hits for monomerid = 50564718
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
Cyclin-A2/Cyclin-dependent kinase 2
(Homo sapiens (Human))
BDBM50564718
(CHEMBL4781618)
Show SMILES
CN1CCC(=CC1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(Sc2nc3ccccc3n2C)cc1 |c:4|
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
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antibodypedia
antibodypedia
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AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
349
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of human CDK2/cyclin A in presence of ATP by ADP-glo luminescent assay
Citation and Details
Article DOI:
10.1016/j.ejmech.2020.112355
BindingDB Entry DOI:
10.7270/Q28P649Z
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta
(Homo sapiens (Human))
BDBM50564718
(CHEMBL4781618)
Show SMILES
CN1CCC(=CC1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(Sc2nc3ccccc3n2C)cc1 |c:4|
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
160
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of human GSK3beta in presence of ATP by ADP-glo luminescent assay
Citation and Details
Article DOI:
10.1016/j.ejmech.2020.112355
BindingDB Entry DOI:
10.7270/Q28P649Z
More data for this
Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9
(Homo sapiens (Human))
BDBM50564718
(CHEMBL4781618)
Show SMILES
CN1CCC(=CC1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(Sc2nc3ccccc3n2C)cc1 |c:4|
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
14
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of human CDK9/cyclin T in presence of ATP by ADP-glo luminescent assay
Citation and Details
Article DOI:
10.1016/j.ejmech.2020.112355
BindingDB Entry DOI:
10.7270/Q28P649Z
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1
(Homo sapiens (Human))
BDBM50564718
(CHEMBL4781618)
Show SMILES
CN1CCC(=CC1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(Sc2nc3ccccc3n2C)cc1 |c:4|
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
284
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of human CDK5/p25 in presence of ATP by ADP-glo luminescent assay
Citation and Details
Article DOI:
10.1016/j.ejmech.2020.112355
BindingDB Entry DOI:
10.7270/Q28P649Z
More data for this
Ligand-Target Pair
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