BindingDB logo
myBDB logout

null

SMILES: CS(=O)(=O)Nc1ccc(cc1)-c1cc(Cl)cc2C=C(C(Oc12)C(F)(F)F)C(O)=O

InChI Key: InChIKey=SRZRYXSPNGRFHP-UHFFFAOYSA-N

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 = 50336007   
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 G/H synthase 2


(Homo sapiens (Human))
BDBM50336007
PNG
(6-chloro-8-(4-(methylsulfonamido)phenyl)-2-(triflu...)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1cc(Cl)cc2C=C(C(Oc12)C(F)(F)F)C(O)=O |c:18|
Show InChI InChI=1S/C18H13ClF3NO5S/c1-29(26,27)23-12-4-2-9(3-5-12)13-8-11(19)6-10-7-14(17(24)25)16(18(20,21)22)28-15(10)13/h2-8,16,23H,1H3,(H,24,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.01E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human COX2


Bioorg Med Chem Lett 21: 993-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.023
BindingDB Entry DOI: 10.7270/Q2QR4XDS
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Homo sapiens (Human))
BDBM50336007
PNG
(6-chloro-8-(4-(methylsulfonamido)phenyl)-2-(triflu...)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1cc(Cl)cc2C=C(C(Oc12)C(F)(F)F)C(O)=O |c:18|
Show InChI InChI=1S/C18H13ClF3NO5S/c1-29(26,27)23-12-4-2-9(3-5-12)13-8-11(19)6-10-7-14(17(24)25)16(18(20,21)22)28-15(10)13/h2-8,16,23H,1H3,(H,24,25)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human COX1


Bioorg Med Chem Lett 21: 993-6 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.023
BindingDB Entry DOI: 10.7270/Q2QR4XDS
More data for this
Ligand-Target Pair