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BDBM50319490 CHEMBL1084903::rac-{3-[1,1-Dioxo-2-(2-phenoxy-ethyl)-2,3-dihydro-1H-1lambda*6*-benzo[d]isothiazol-3-yl]-2-methyl-indol-1-yl}-acetic acid

SMILES: Cc1c(C2N(CCOc3ccccc3)S(=O)(=O)c3ccccc23)c2ccccc2n1CC(O)=O

InChI Key: InChIKey=QTVUYZKFXBWUIE-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 = 50319490   
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))
BDBM50319490
PNG
(CHEMBL1084903 | rac-{3-[1,1-Dioxo-2-(2-phenoxy-eth...)
Show SMILES Cc1c(C2N(CCOc3ccccc3)S(=O)(=O)c3ccccc23)c2ccccc2n1CC(O)=O
Show InChI InChI=1S/C26H24N2O5S/c1-18-25(20-11-5-7-13-22(20)27(18)17-24(29)30)26-21-12-6-8-14-23(21)34(31,32)28(26)15-16-33-19-9-3-2-4-10-19/h2-14,26H,15-17H2,1H3,(H,29,30)
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PC cid
PC sid
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Similars

Article
PubMed
29n/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))
BDBM50319490
PNG
(CHEMBL1084903 | rac-{3-[1,1-Dioxo-2-(2-phenoxy-eth...)
Show SMILES Cc1c(C2N(CCOc3ccccc3)S(=O)(=O)c3ccccc23)c2ccccc2n1CC(O)=O
Show InChI InChI=1S/C26H24N2O5S/c1-18-25(20-11-5-7-13-22(20)27(18)17-24(29)30)26-21-12-6-8-14-23(21)34(31,32)28(26)15-16-33-19-9-3-2-4-10-19/h2-14,26H,15-17H2,1H3,(H,29,30)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
7.80E+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