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Target
Sequence
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Ki
IC50
Kd
EC50
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Marvin 2D Structure
The following exact ligands are found in BindingDB
Wt: 444.4
BDBM50600695
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
(change energy unit to
kcal/mol
)
Found
5
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
Pteridine reductase, putative
(Trypanosoma brucei brucei (strain 927/4 GUTat10.1))
BDBM50600695
(CHEMBL5208403)
Show SMILES
COc1ccc(CNC(=O)c2ccc(CNCc3cnc4nc(N)nc(N)c4n3)cc2)cc1
Show InChI
PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
130
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c00232
BindingDB Entry DOI:
10.7270/Q2CJ8JJC
More data for this
Ligand-Target Pair
Pteridine reductase 1
(Leishmania major)
BDBM50600695
(CHEMBL5208403)
Show SMILES
COc1ccc(CNC(=O)c2ccc(CNCc3cnc4nc(N)nc(N)c4n3)cc2)cc1
Show InChI
PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
1.48E+3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c00232
BindingDB Entry DOI:
10.7270/Q2CJ8JJC
More data for this
Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase
(Leishmania major)
BDBM50600695
(CHEMBL5208403)
Show SMILES
COc1ccc(CNC(=O)c2ccc(CNCc3cnc4nc(N)nc(N)c4n3)cc2)cc1
Show InChI
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
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.2c00232
BindingDB Entry DOI:
10.7270/Q2CJ8JJC
More data for this
Ligand-Target Pair
Dihydrofolate reductase
(Homo sapiens (Human))
BDBM50600695
(CHEMBL5208403)
Show SMILES
COc1ccc(CNC(=O)c2ccc(CNCc3cnc4nc(N)nc(N)c4n3)cc2)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
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.2c00232
BindingDB Entry DOI:
10.7270/Q2CJ8JJC
More data for this
Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase
(Trypanosoma brucei brucei (strain 927/4 GUTat10.1))
BDBM50600695
(CHEMBL5208403)
Show SMILES
COc1ccc(CNC(=O)c2ccc(CNCc3cnc4nc(N)nc(N)c4n3)cc2)cc1
Show InChI
PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
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.2c00232
BindingDB Entry DOI:
10.7270/Q2CJ8JJC
More data for this
Ligand-Target Pair