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BDBM50417768 CHEMBL1644238

SMILES: COc1ccc(CCNc2cc(nc(OC)n2)-c2cccc(c2)S(N)(=O)=O)cc1

InChI Key: InChIKey=SNQFYTGSLPIDJG-UHFFFAOYSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50417768   
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
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50417768
PNG
(CHEMBL1644238)
Show SMILES COc1ccc(CCNc2cc(nc(OC)n2)-c2cccc(c2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C20H22N4O4S/c1-27-16-8-6-14(7-9-16)10-11-22-19-13-18(23-20(24-19)28-2)15-4-3-5-17(12-15)29(21,25)26/h3-9,12-13H,10-11H2,1-2H3,(H2,21,25,26)(H,22,23,24)
UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.88n/an/an/an/an/an/a



Sanofi Aventis US

Curated by ChEMBL


Assay Description
Antagonist activity at prostaglandin D2 receptor in human LS174T cells assessed as inhibition of PGD2-induced cAMP accumulation after 15 mins by scin...


Bioorg Med Chem Lett 21: 66-75 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.071
BindingDB Entry DOI: 10.7270/Q22F7PPM
More data for this
Ligand-Target Pair