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Target
Sequence
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Ki
IC50
Kd
EC50
Rate constants
ΔG°
ΔH°
-TΔS°
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null
SMILES:
Oc1ccccc1-c1nc(no1)-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 = 50576851
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
Thioredoxin reductase 1, cytoplasmic
(Homo sapiens (Human))
BDBM50576851
(CHEMBL1876217)
Show SMILES
Oc1ccccc1-c1nc(no1)-c1ccccc1
Show InChI
PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
n/a
n/a
13
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
More data for this
Ligand-Target Pair
Thioredoxin reductase 1, cytoplasmic
(Homo sapiens (Human))
BDBM50576851
(CHEMBL1876217)
Show SMILES
Oc1ccccc1-c1nc(no1)-c1ccccc1
Show InChI
PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
n/a
n/a
13
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
More data for this
Ligand-Target Pair
NADPH oxidase 4
(Homo sapiens (Human))
BDBM50576851
(CHEMBL1876217)
Show SMILES
Oc1ccccc1-c1nc(no1)-c1ccccc1
Show InChI
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
n/a
n/a
16
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha
(Homo sapiens (Human))
BDBM50576851
(CHEMBL1876217)
Show SMILES
Oc1ccccc1-c1nc(no1)-c1ccccc1
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
n/a
n/a
11
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
More data for this
Ligand-Target Pair
NADPH oxidase 4
(Homo sapiens (Human))
BDBM50576851
(CHEMBL1876217)
Show SMILES
Oc1ccccc1-c1nc(no1)-c1ccccc1
Show InChI
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
n/a
n/a
16
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
More data for this
Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit alpha
(Homo sapiens (Human))
BDBM50576851
(CHEMBL1876217)
Show SMILES
Oc1ccccc1-c1nc(no1)-c1ccccc1
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
n/a
n/a
11
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
More data for this
Ligand-Target Pair
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