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BDBM50397235 CHEMBL2172791

SMILES: Clc1ccc(cc1)-c1nn(cc1CC(=O)NS(=O)(=O)c1ccc(Cl)cc1)-c1ccccc1

InChI Key: InChIKey=PBDSGNFNHDVGOM-UHFFFAOYSA-N

Data: 2 IC50

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 2 hits for monomerid = 50397235   
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))
BDBM50397235
PNG
(CHEMBL2172791)
Show SMILES Clc1ccc(cc1)-c1nn(cc1CC(=O)NS(=O)(=O)c1ccc(Cl)cc1)-c1ccccc1
Show InChI InChI=1S/C23H17Cl2N3O3S/c24-18-8-6-16(7-9-18)23-17(15-28(26-23)20-4-2-1-3-5-20)14-22(29)27-32(30,31)21-12-10-19(25)11-13-21/h1-13,15H,14H2,(H,27,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.30E+3n/an/an/an/an/an/a



Eberhard Karls University

Curated by ChEMBL


Assay Description
Inhibition of mPGES-1 in human IL-1beta-stimulated A549 cell microsomes assessed as inhibition of PGE2 formation from PGH2 after 15 mins by RP-HPLC a...


J Med Chem 55: 8958-62 (2012)


Article DOI: 10.1021/jm3010543
BindingDB Entry DOI: 10.7270/Q20Z74FD
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50397235
PNG
(CHEMBL2172791)
Show SMILES Clc1ccc(cc1)-c1nn(cc1CC(=O)NS(=O)(=O)c1ccc(Cl)cc1)-c1ccccc1
Show InChI InChI=1S/C23H17Cl2N3O3S/c24-18-8-6-16(7-9-18)23-17(15-28(26-23)20-4-2-1-3-5-20)14-22(29)27-32(30,31)21-12-10-19(25)11-13-21/h1-13,15H,14H2,(H,27,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.90E+3n/an/an/an/an/an/a



Eberhard Karls University

Curated by ChEMBL


Assay Description
Inhibition of 5-lipoxygenase in A23187-stimulated human neutrophils assessed as inhibition of enzyme product formation by RP-HPLC analysis


J Med Chem 55: 8958-62 (2012)


Article DOI: 10.1021/jm3010543
BindingDB Entry DOI: 10.7270/Q20Z74FD
More data for this
Ligand-Target Pair