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BDBM50333869 (R)-2-(3-chloro-7-(4-fluoro-N-methylphenylsulfonamido)-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)acetic acid::CHEMBL1643774

SMILES: CN([C@@H]1CCc2c(CC(O)=O)c3ccc(Cl)cc3n2C1)S(=O)(=O)c1ccc(F)cc1

InChI Key: InChIKey=UXIMHFFPUFDJNE-OAHLLOKOSA-N

Data: 3 KI  2 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 5 hits for monomerid = 50333869   
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))
BDBM50333869
PNG
((R)-2-(3-chloro-7-(4-fluoro-N-methylphenylsulfonam...)
Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3ccc(Cl)cc3n2C1)S(=O)(=O)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C21H20ClFN2O4S/c1-24(30(28,29)16-6-3-14(23)4-7-16)15-5-9-19-18(11-21(26)27)17-8-2-13(22)10-20(17)25(19)12-15/h2-4,6-8,10,15H,5,9,11-12H2,1H3,(H,26,27)/t15-/m1/s1
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UniProtKB/SwissProt

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PC sid
UniChem
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1.10n/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))
BDBM50333869
PNG
((R)-2-(3-chloro-7-(4-fluoro-N-methylphenylsulfonam...)
Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3ccc(Cl)cc3n2C1)S(=O)(=O)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C21H20ClFN2O4S/c1-24(30(28,29)16-6-3-14(23)4-7-16)15-5-9-19-18(11-21(26)27)17-8-2-13(22)10-20(17)25(19)12-15/h2-4,6-8,10,15H,5,9,11-12H2,1H3,(H,26,27)/t15-/m1/s1
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PC sid
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104n/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))
BDBM50333869
PNG
((R)-2-(3-chloro-7-(4-fluoro-N-methylphenylsulfonam...)
Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3ccc(Cl)cc3n2C1)S(=O)(=O)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C21H20ClFN2O4S/c1-24(30(28,29)16-6-3-14(23)4-7-16)15-5-9-19-18(11-21(26)27)17-8-2-13(22)10-20(17)25(19)12-15/h2-4,6-8,10,15H,5,9,11-12H2,1H3,(H,26,27)/t15-/m1/s1
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3.95E+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))
BDBM50333869
PNG
((R)-2-(3-chloro-7-(4-fluoro-N-methylphenylsulfonam...)
Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3ccc(Cl)cc3n2C1)S(=O)(=O)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C21H20ClFN2O4S/c1-24(30(28,29)16-6-3-14(23)4-7-16)15-5-9-19-18(11-21(26)27)17-8-2-13(22)10-20(17)25(19)12-15/h2-4,6-8,10,15H,5,9,11-12H2,1H3,(H,26,27)/t15-/m1/s1
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n/an/a 12n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Antagonist activity at CRTH2 receptor in human whole blood assessed as inhibition of DK-PGD2-induced eosinophils shape change


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))
BDBM50333869
PNG
((R)-2-(3-chloro-7-(4-fluoro-N-methylphenylsulfonam...)
Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3ccc(Cl)cc3n2C1)S(=O)(=O)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C21H20ClFN2O4S/c1-24(30(28,29)16-6-3-14(23)4-7-16)15-5-9-19-18(11-21(26)27)17-8-2-13(22)10-20(17)25(19)12-15/h2-4,6-8,10,15H,5,9,11-12H2,1H3,(H,26,27)/t15-/m1/s1
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UniProtKB/SwissProt

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PC sid
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n/an/a 3n/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