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SMILES: OC(=O)C1=Cc2cc(ccc2O[C@@H]1C(F)(F)F)S(F)(F)(F)(F)F

InChI Key: InChIKey=QVPDRFYJQHCIEB-VIFPVBQESA-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 = 50266855   
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 1


(Homo sapiens (Human))
BDBM50266855
PNG
(CHEMBL4074716)
Show SMILES OC(=O)C1=Cc2cc(ccc2O[C@@H]1C(F)(F)F)S(F)(F)(F)(F)F |r,t:3|
Show InChI InChI=1S/C11H6F8O3S/c12-11(13,14)9-7(10(20)21)4-5-3-6(1-2-8(5)22-9)23(15,16,17,18)19/h1-4,9H,(H,20,21)/t9-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Guangzhou Institutes of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of human COX-1 preincubated for 15 mins followed by fluorometric substrate/heme addition for 15 mins subsequently incubated with arachidon...


J Med Chem 60: 4135-4146 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01484
BindingDB Entry DOI: 10.7270/Q2M32Z7Q
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Homo sapiens (Human))
BDBM50266855
PNG
(CHEMBL4074716)
Show SMILES OC(=O)C1=Cc2cc(ccc2O[C@@H]1C(F)(F)F)S(F)(F)(F)(F)F |r,t:3|
Show InChI InChI=1S/C11H6F8O3S/c12-11(13,14)9-7(10(20)21)4-5-3-6(1-2-8(5)22-9)23(15,16,17,18)19/h1-4,9H,(H,20,21)/t9-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Guangzhou Institutes of Biomedicine and Health

Curated by ChEMBL


Assay Description
Inhibition of recombinant human COX-2 preincubated for 15 mins followed by fluorometric substrate/heme addition for 15 mins subsequently incubated wi...


J Med Chem 60: 4135-4146 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01484
BindingDB Entry DOI: 10.7270/Q2M32Z7Q
More data for this
Ligand-Target Pair