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Target
Sequence
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&
Ki
IC50
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EC50
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Marvin 2D Structure
The following exact ligands are found in BindingDB
Wt: 335.3
BDBM50595593
Purchase
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
Aldo-keto reductase family 1 member C3
(Homo sapiens (Human))
BDBM50595593
(CHEMBL5197742)
Show SMILES
CC(=O)c1c[nH]c(c1)C(=O)NCc1ccc(CS(N)(=O)=O)cc1
Show InChI
PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
2.08E+3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acsmedchemlett.2c00175
BindingDB Entry DOI:
10.7270/Q2DB85WJ
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member C4
(Homo sapiens (Human))
BDBM50595593
(CHEMBL5197742)
Show SMILES
CC(=O)c1c[nH]c(c1)C(=O)NCc1ccc(CS(N)(=O)=O)cc1
Show InChI
PDB
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/acsmedchemlett.2c00175
BindingDB Entry DOI:
10.7270/Q2DB85WJ
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member C1
(Homo sapiens (Human))
BDBM50595593
(CHEMBL5197742)
Show SMILES
CC(=O)c1c[nH]c(c1)C(=O)NCc1ccc(CS(N)(=O)=O)cc1
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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/acsmedchemlett.2c00175
BindingDB Entry DOI:
10.7270/Q2DB85WJ
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member C2
(Homo sapiens (Human))
BDBM50595593
(CHEMBL5197742)
Show SMILES
CC(=O)c1c[nH]c(c1)C(=O)NCc1ccc(CS(N)(=O)=O)cc1
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
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/acsmedchemlett.2c00175
BindingDB Entry DOI:
10.7270/Q2DB85WJ
More data for this
Ligand-Target Pair