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Target
Sequence
Name
&
Ki
IC50
Kd
EC50
Rate constants
ΔG°
ΔH°
-TΔS°
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Ki
IC50
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null
SMILES:
Clc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)C(=O)Oc1ccc(OCc2ccccc2)cc1
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
5
hits for monomerid = 50569444
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
Prostaglandin E synthase
(Homo sapiens (Human))
BDBM50569444
(CHEMBL4848472)
Show SMILES
Clc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)C(=O)Oc1ccc(OCc2ccccc2)cc1
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
160
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of mPGES-1 in human A549 cells assessed as reduction in IL-1beta stimulated PGE2 production incubated for 24 hrs by EIA
Citation and Details
Article DOI:
10.1016/j.bmcl.2021.127992
BindingDB Entry DOI:
10.7270/Q20R9T5S
More data for this
Ligand-Target Pair
Prostaglandin E synthase
(Mus musculus)
BDBM50569444
(CHEMBL4848472)
Show SMILES
Clc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)C(=O)Oc1ccc(OCc2ccccc2)cc1
Show InChI
UniProtKB/SwissProt
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
340
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of mPGES-1 in mouse RAW264.7 cells assessed as reduction in LPS-stimulated PGE2 production
Citation and Details
Article DOI:
10.1016/j.bmcl.2021.127992
BindingDB Entry DOI:
10.7270/Q20R9T5S
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human))
BDBM50569444
(CHEMBL4848472)
Show SMILES
Clc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)C(=O)Oc1ccc(OCc2ccccc2)cc1
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
5.20E+3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Binding affinity to human ERG
Citation and Details
Article DOI:
10.1016/j.bmcl.2021.127992
BindingDB Entry DOI:
10.7270/Q20R9T5S
More data for this
Ligand-Target Pair
Prostaglandin E synthase
(Homo sapiens (Human))
BDBM50569444
(CHEMBL4848472)
Show SMILES
Clc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)C(=O)Oc1ccc(OCc2ccccc2)cc1
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
2.00E+3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of mPGES-1 in human A549 cells assessed as reduction in IL-1beta stimulated PGI2 production
Citation and Details
Article DOI:
10.1016/j.bmcl.2021.127992
BindingDB Entry DOI:
10.7270/Q20R9T5S
More data for this
Ligand-Target Pair
Prostaglandin E synthase
(Homo sapiens (Human))
BDBM50569444
(CHEMBL4848472)
Show SMILES
Clc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)C(=O)Oc1ccc(OCc2ccccc2)cc1
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
7.37E+3
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of mPGES-1 activity in IL-1beta stimulated human A549 cells by cell-free assay
Citation and Details
Article DOI:
10.1016/j.bmcl.2021.127992
BindingDB Entry DOI:
10.7270/Q20R9T5S
More data for this
Ligand-Target Pair