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BDBM50333853 (R)-2-(7-(N,2-dimethylphenylsulfonamido)-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)acetic acid::CHEMBL1643792

SMILES: CN([C@@H]1CCc2c(CC(O)=O)c3ccccc3n2C1)S(=O)(=O)c1ccccc1C

InChI Key: InChIKey=SZUQIEBFJCOGKN-MRXNPFEDSA-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 = 50333853   
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))
BDBM50333853
PNG
((R)-2-(7-(N,2-dimethylphenylsulfonamido)-6,7,8,9-t...)
Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3ccccc3n2C1)S(=O)(=O)c1ccccc1C |r|
Show InChI InChI=1S/C22H24N2O4S/c1-15-7-3-6-10-21(15)29(27,28)23(2)16-11-12-20-18(13-22(25)26)17-8-4-5-9-19(17)24(20)14-16/h3-10,16H,11-14H2,1-2H3,(H,25,26)/t16-/m1/s1
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Article
PubMed
7.60n/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))
BDBM50333853
PNG
((R)-2-(7-(N,2-dimethylphenylsulfonamido)-6,7,8,9-t...)
Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3ccccc3n2C1)S(=O)(=O)c1ccccc1C |r|
Show InChI InChI=1S/C22H24N2O4S/c1-15-7-3-6-10-21(15)29(27,28)23(2)16-11-12-20-18(13-22(25)26)17-8-4-5-9-19(17)24(20)14-16/h3-10,16H,11-14H2,1-2H3,(H,25,26)/t16-/m1/s1
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Article
PubMed
51n/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))
BDBM50333853
PNG
((R)-2-(7-(N,2-dimethylphenylsulfonamido)-6,7,8,9-t...)
Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3ccccc3n2C1)S(=O)(=O)c1ccccc1C |r|
Show InChI InChI=1S/C22H24N2O4S/c1-15-7-3-6-10-21(15)29(27,28)23(2)16-11-12-20-18(13-22(25)26)17-8-4-5-9-19(17)24(20)14-16/h3-10,16H,11-14H2,1-2H3,(H,25,26)/t16-/m1/s1
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PubMed
>5.59E+3n/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))
BDBM50333853
PNG
((R)-2-(7-(N,2-dimethylphenylsulfonamido)-6,7,8,9-t...)
Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3ccccc3n2C1)S(=O)(=O)c1ccccc1C |r|
Show InChI InChI=1S/C22H24N2O4S/c1-15-7-3-6-10-21(15)29(27,28)23(2)16-11-12-20-18(13-22(25)26)17-8-4-5-9-19(17)24(20)14-16/h3-10,16H,11-14H2,1-2H3,(H,25,26)/t16-/m1/s1
PDB

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PubMed
n/an/a 27n/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