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BDBM50397237 CHEMBL2172788

SMILES: Cc1ccc(cc1)S(=O)(=O)NC(=O)Cc1cn(nc1-c1ccc(Cl)cc1)-c1ccccc1

InChI Key: InChIKey=CTVCDHGOWRMVHI-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 = 50397237   
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))
BDBM50397237
PNG
(CHEMBL2172788)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(=O)Cc1cn(nc1-c1ccc(Cl)cc1)-c1ccccc1
Show InChI InChI=1S/C24H20ClN3O3S/c1-17-7-13-22(14-8-17)32(30,31)27-23(29)15-19-16-28(21-5-3-2-4-6-21)26-24(19)18-9-11-20(25)12-10-18/h2-14,16H,15H2,1H3,(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 3.40E+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))
BDBM50397237
PNG
(CHEMBL2172788)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NC(=O)Cc1cn(nc1-c1ccc(Cl)cc1)-c1ccccc1
Show InChI InChI=1S/C24H20ClN3O3S/c1-17-7-13-22(14-8-17)32(30,31)27-23(29)15-19-16-28(21-5-3-2-4-6-21)26-24(19)18-9-11-20(25)12-10-18/h2-14,16H,15H2,1H3,(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 2.50E+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