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BDBM50308510 CHEMBL589253::Iodosuprofen

SMILES: CC(C(O)=O)c1ccc(cc1)C(=O)c1ccc(I)s1

InChI Key: InChIKey=UIZPHGUBGPJBAR-UHFFFAOYSA-N

Data: 1 IC50

PDB links: 1 PDB ID matches this monomer.

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 1 hit for monomerid = 50308510   
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 (cyclooxygenase)


(Ovis aries (Sheep))
BDBM50308510
PNG
(CHEMBL589253 | Iodosuprofen)
Show SMILES CC(C(O)=O)c1ccc(cc1)C(=O)c1ccc(I)s1
Show InChI InChI=1S/C14H11IO3S/c1-8(14(17)18)9-2-4-10(5-3-9)13(16)11-6-7-12(15)19-11/h2-8H,1H3,(H,17,18)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



King's College London

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1


Bioorg Med Chem 18: 2204-18 (2010)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)