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SMILES: Clc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)C(=O)Nc1ccc(OCCCCc2ccccc2)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 4 hits for monomerid = 50569446   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Prostaglandin E synthase


(Homo sapiens (Human))
BDBM50569446
PNG
(CHEMBL4870406)
Show SMILES Clc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)C(=O)Nc1ccc(OCCCCc2ccccc2)cc1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 240n/an/an/an/an/an/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
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50569446
PNG
(CHEMBL4870406)
Show SMILES Clc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)C(=O)Nc1ccc(OCCCCc2ccccc2)cc1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/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))
BDBM50569446
PNG
(CHEMBL4870406)
Show SMILES Clc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)C(=O)Nc1ccc(OCCCCc2ccccc2)cc1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/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))
BDBM50569446
PNG
(CHEMBL4870406)
Show SMILES Clc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)C(=O)Nc1ccc(OCCCCc2ccccc2)cc1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 490n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of mPGES-1 activity in IL-1beta stimulated human A549 cells microsomes assessed as reduction in PGE2 production preincubated for 15 mins f...


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.127992
BindingDB Entry DOI: 10.7270/Q20R9T5S
More data for this
Ligand-Target Pair