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Target
Sequence
Name
&
Ki
IC50
Kd
EC50
Rate constants
ΔG°
ΔH°
-TΔS°
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/
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Target Names &
Ki
IC50
Kd
EC50
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Marvin 2D Structure
The following exact ligands are found in BindingDB
Wt: 497.3
BDBM50591035
Purchase
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
(change energy unit to
kcal/mol
)
Found
6
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
DNA polymerase theta
(Homo sapiens)
BDBM50591035
(CHEMBL5187422)
Show SMILES
Nc1ccc(nn1)C#CCN(C(=O)Cc1ncc(cc1C(F)(F)F)C(F)(F)F)c1ccc(F)cc1
Show InChI
PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
0.550
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c00998
BindingDB Entry DOI:
10.7270/Q2C53QVS
More data for this
Ligand-Target Pair
DNA polymerase theta
(Homo sapiens)
BDBM50591035
(CHEMBL5187422)
Show SMILES
Nc1ccc(nn1)C#CCN(C(=O)Cc1ncc(cc1C(F)(F)F)C(F)(F)F)c1ccc(F)cc1
Show InChI
PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
5.80
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c00998
BindingDB Entry DOI:
10.7270/Q2C53QVS
More data for this
Ligand-Target Pair
DNA polymerase theta
(Homo sapiens)
BDBM50591035
(CHEMBL5187422)
Show SMILES
Nc1ccc(nn1)C#CCN(C(=O)Cc1ncc(cc1C(F)(F)F)C(F)(F)F)c1ccc(F)cc1
Show InChI
PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
940
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c00998
BindingDB Entry DOI:
10.7270/Q2C53QVS
More data for this
Ligand-Target Pair
DNA polymerase nu
(Homo sapiens (Human))
BDBM50591035
(CHEMBL5187422)
Show SMILES
Nc1ccc(nn1)C#CCN(C(=O)Cc1ncc(cc1C(F)(F)F)C(F)(F)F)c1ccc(F)cc1
Show InChI
PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
>1.00E+5
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c00998
BindingDB Entry DOI:
10.7270/Q2C53QVS
More data for this
Ligand-Target Pair
DNA polymerase subunit gamma-1
(Homo sapiens (Human))
BDBM50591035
(CHEMBL5187422)
Show SMILES
Nc1ccc(nn1)C#CCN(C(=O)Cc1ncc(cc1C(F)(F)F)C(F)(F)F)c1ccc(F)cc1
Show InChI
PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
>1.00E+5
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c00998
BindingDB Entry DOI:
10.7270/Q2C53QVS
More data for this
Ligand-Target Pair
DNA polymerase alpha catalytic subunit
(Homo sapiens (Human))
BDBM50591035
(CHEMBL5187422)
Show SMILES
Nc1ccc(nn1)C#CCN(C(=O)Cc1ncc(cc1C(F)(F)F)C(F)(F)F)c1ccc(F)cc1
Show InChI
PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
>1.00E+5
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c00998
BindingDB Entry DOI:
10.7270/Q2C53QVS
More data for this
Ligand-Target Pair