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Target
Sequence
Name
&
Ki
IC50
Kd
EC50
Rate constants
ΔG°
ΔH°
-TΔS°
pH (Enzymatic Assay)
pH (ITC)
Substrate or Competitor
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Target Names &
Ki
IC50
Kd
EC50
ΔG°
ΔH°
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Deposition
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null
SMILES:
CNC(=O)c1csc(n1)C(=O)c1c[nH]c2ccccc12
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 = 50605060
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
Aryl hydrocarbon receptor
(Homo sapiens (Human))
BDBM50605060
(CHEMBL5198290)
Show SMILES
CNC(=O)c1csc(n1)C(=O)c1c[nH]c2ccccc12
Show InChI
PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
n/a
n/a
1.60
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c00208
BindingDB Entry DOI:
10.7270/Q27D3076
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2
(Homo sapiens (Human))
BDBM50605060
(CHEMBL5198290)
Show SMILES
CNC(=O)c1csc(n1)C(=O)c1c[nH]c2ccccc12
Show InChI
PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
n/a
n/a
1.20E+4
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c00208
BindingDB Entry DOI:
10.7270/Q27D3076
More data for this
Ligand-Target Pair
Aryl hydrocarbon receptor
(Mus musculus (Mouse))
BDBM50605060
(CHEMBL5198290)
Show SMILES
CNC(=O)c1csc(n1)C(=O)c1c[nH]c2ccccc12
Show InChI
PDB
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
88
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c00208
BindingDB Entry DOI:
10.7270/Q27D3076
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 2
(Homo sapiens (Human))
BDBM50605060
(CHEMBL5198290)
Show SMILES
CNC(=O)c1csc(n1)C(=O)c1c[nH]c2ccccc12
Show InChI
PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
3.21E+4
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.2c00208
BindingDB Entry DOI:
10.7270/Q27D3076
More data for this
Ligand-Target Pair
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