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BDBM50333852 (R)-2-(7-(2-fluoro-N-methylphenylsulfonamido)-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)acetic acid::CHEMBL1643791

SMILES: CN([C@@H]1CCc2c(CC(O)=O)c3ccccc3n2C1)S(=O)(=O)c1ccccc1F

InChI Key: InChIKey=WKPUEDQDHPFFTJ-CQSZACIVSA-N

Data: 3 KI  1 IC50

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 4 hits for monomerid = 50333852   
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))
BDBM50333852
PNG
((R)-2-(7-(2-fluoro-N-methylphenylsulfonamido)-6,7,...)
Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3ccccc3n2C1)S(=O)(=O)c1ccccc1F |r|
Show InChI InChI=1S/C21H21FN2O4S/c1-23(29(27,28)20-9-5-3-7-17(20)22)14-10-11-19-16(12-21(25)26)15-6-2-4-8-18(15)24(19)13-14/h2-9,14H,10-13H2,1H3,(H,25,26)/t14-/m1/s1
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PubMed
17n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant CRTH2 receptor by cell based radioligand equilibrium competition assay


Bioorg Med Chem Lett 21: 288-93 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.015
BindingDB Entry DOI: 10.7270/Q2959HTH
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50333852
PNG
((R)-2-(7-(2-fluoro-N-methylphenylsulfonamido)-6,7,...)
Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3ccccc3n2C1)S(=O)(=O)c1ccccc1F |r|
Show InChI InChI=1S/C21H21FN2O4S/c1-23(29(27,28)20-9-5-3-7-17(20)22)14-10-11-19-16(12-21(25)26)15-6-2-4-8-18(15)24(19)13-14/h2-9,14H,10-13H2,1H3,(H,25,26)/t14-/m1/s1
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892n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity to prostanoid DP1 receptor


Bioorg Med Chem Lett 21: 288-93 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.015
BindingDB Entry DOI: 10.7270/Q2959HTH
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50333852
PNG
((R)-2-(7-(2-fluoro-N-methylphenylsulfonamido)-6,7,...)
Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3ccccc3n2C1)S(=O)(=O)c1ccccc1F |r|
Show InChI InChI=1S/C21H21FN2O4S/c1-23(29(27,28)20-9-5-3-7-17(20)22)14-10-11-19-16(12-21(25)26)15-6-2-4-8-18(15)24(19)13-14/h2-9,14H,10-13H2,1H3,(H,25,26)/t14-/m1/s1
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>2.12E+4n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity to thromboxane receptor


Bioorg Med Chem Lett 21: 288-93 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.015
BindingDB Entry DOI: 10.7270/Q2959HTH
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50333852
PNG
((R)-2-(7-(2-fluoro-N-methylphenylsulfonamido)-6,7,...)
Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3ccccc3n2C1)S(=O)(=O)c1ccccc1F |r|
Show InChI InChI=1S/C21H21FN2O4S/c1-23(29(27,28)20-9-5-3-7-17(20)22)14-10-11-19-16(12-21(25)26)15-6-2-4-8-18(15)24(19)13-14/h2-9,14H,10-13H2,1H3,(H,25,26)/t14-/m1/s1
PDB

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n/an/a 22n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant CRTH2 receptor expressed in HEK293 cells assessed as inhibition of DK-PGD2-induced intracellular cAMP format...


Bioorg Med Chem Lett 21: 288-93 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.015
BindingDB Entry DOI: 10.7270/Q2959HTH
More data for this
Ligand-Target Pair