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BDBM50319491 CHEMBL1083446::rac-(3-{2-[2-(4-Chloro-phenoxy)-ethyl]-1,1-dioxo-2,3-dihydro-1H-1lambda*6*-benzo[d]isothiazol-3-yl}-2-methyl-indol-1-yl)-acetic acid

SMILES: Cc1c(C2N(CCOc3ccc(Cl)cc3)S(=O)(=O)c3ccccc23)c2ccccc2n1CC(O)=O

InChI Key: InChIKey=XPTYRDICABQMAS-UHFFFAOYSA-N

Data: 2 KI

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 = 50319491   
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
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50319491
PNG
(CHEMBL1083446 | rac-(3-{2-[2-(4-Chloro-phenoxy)-et...)
Show SMILES Cc1c(C2N(CCOc3ccc(Cl)cc3)S(=O)(=O)c3ccccc23)c2ccccc2n1CC(O)=O
Show InChI InChI=1S/C26H23ClN2O5S/c1-17-25(20-6-2-4-8-22(20)28(17)16-24(30)31)26-21-7-3-5-9-23(21)35(32,33)29(26)14-15-34-19-12-10-18(27)11-13-19/h2-13,26H,14-16H2,1H3,(H,30,31)
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KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
35n/an/an/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human prostaglandin D2 receptor by cell based radioligand displacement assay


Bioorg Med Chem Lett 20: 3287-90 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.046
BindingDB Entry DOI: 10.7270/Q26973QW
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50319491
PNG
(CHEMBL1083446 | rac-(3-{2-[2-(4-Chloro-phenoxy)-et...)
Show SMILES Cc1c(C2N(CCOc3ccc(Cl)cc3)S(=O)(=O)c3ccccc23)c2ccccc2n1CC(O)=O
Show InChI InChI=1S/C26H23ClN2O5S/c1-17-25(20-6-2-4-8-22(20)28(17)16-24(30)31)26-21-7-3-5-9-23(21)35(32,33)29(26)14-15-34-19-12-10-18(27)11-13-19/h2-13,26H,14-16H2,1H3,(H,30,31)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
3.40E+3n/an/an/an/an/an/an/an/a



Athersys, Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human thromboxane A2 receptor by radioligand displacement assay


Bioorg Med Chem Lett 20: 3287-90 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.046
BindingDB Entry DOI: 10.7270/Q26973QW
More data for this
Ligand-Target Pair