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Target
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Marvin 2D Structure
The following exact ligands are found in BindingDB
Wt: 399.4
BDBM50595799
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
(change energy unit to
kcal/mol
)
Found
4
hits in this display
Target/Host
(Institution)
Ligand
Target/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
k
off
s
-1
k
on
M
-1
s
-1
pH
Temp
°C
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1
(Homo sapiens (Human))
BDBM50595799
(CHEMBL5186159)
Show SMILES
NS(=O)(=O)c1ccc(Nc2ncc3c(n2)N(C2CCCC2)C(=O)C32CC2)cc1
Show InChI
PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acsmedchemlett.2c00408
BindingDB Entry DOI:
10.7270/Q29C72FH
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2
(Homo sapiens (Human))
BDBM50595799
(CHEMBL5186159)
Show SMILES
NS(=O)(=O)c1ccc(Nc2ncc3c(n2)N(C2CCCC2)C(=O)C32CC2)cc1
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
4.90
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acsmedchemlett.2c00408
BindingDB Entry DOI:
10.7270/Q29C72FH
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1
(Homo sapiens (Human))
BDBM50595799
(CHEMBL5186159)
Show SMILES
NS(=O)(=O)c1ccc(Nc2ncc3c(n2)N(C2CCCC2)C(=O)C32CC2)cc1
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
1.20E+3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acsmedchemlett.2c00408
BindingDB Entry DOI:
10.7270/Q29C72FH
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2
(Homo sapiens (Human))
BDBM50595799
(CHEMBL5186159)
Show SMILES
NS(=O)(=O)c1ccc(Nc2ncc3c(n2)N(C2CCCC2)C(=O)C32CC2)cc1
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
7.60E+3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acsmedchemlett.2c00408
BindingDB Entry DOI:
10.7270/Q29C72FH
More data for this
Ligand-Target Pair