BindingDB logo
myBDB logout

BDBM50333871 (R)-2-(7-(4-fluoro-N-methylphenylsulfonamido)-3-(methylsulfonyl)-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)acetic acid::CHEMBL1643777

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

InChI Key: InChIKey=QUJFXQDGLUHQBS-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 = 50333871   
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))
BDBM50333871
PNG
((R)-2-(7-(4-fluoro-N-methylphenylsulfonamido)-3-(m...)
Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3ccc(cc3n2C1)S(C)(=O)=O)S(=O)(=O)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C22H23FN2O6S2/c1-24(33(30,31)16-6-3-14(23)4-7-16)15-5-10-20-19(12-22(26)27)18-9-8-17(32(2,28)29)11-21(18)25(20)13-15/h3-4,6-9,11,15H,5,10,12-13H2,1-2H3,(H,26,27)/t15-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
13n/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))
BDBM50333871
PNG
((R)-2-(7-(4-fluoro-N-methylphenylsulfonamido)-3-(m...)
Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3ccc(cc3n2C1)S(C)(=O)=O)S(=O)(=O)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C22H23FN2O6S2/c1-24(33(30,31)16-6-3-14(23)4-7-16)15-5-10-20-19(12-22(26)27)18-9-8-17(32(2,28)29)11-21(18)25(20)13-15/h3-4,6-9,11,15H,5,10,12-13H2,1-2H3,(H,26,27)/t15-/m1/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>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 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))
BDBM50333871
PNG
((R)-2-(7-(4-fluoro-N-methylphenylsulfonamido)-3-(m...)
Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3ccc(cc3n2C1)S(C)(=O)=O)S(=O)(=O)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C22H23FN2O6S2/c1-24(33(30,31)16-6-3-14(23)4-7-16)15-5-10-20-19(12-22(26)27)18-9-8-17(32(2,28)29)11-21(18)25(20)13-15/h3-4,6-9,11,15H,5,10,12-13H2,1-2H3,(H,26,27)/t15-/m1/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>7.25E+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))
BDBM50333871
PNG
((R)-2-(7-(4-fluoro-N-methylphenylsulfonamido)-3-(m...)
Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3ccc(cc3n2C1)S(C)(=O)=O)S(=O)(=O)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C22H23FN2O6S2/c1-24(33(30,31)16-6-3-14(23)4-7-16)15-5-10-20-19(12-22(26)27)18-9-8-17(32(2,28)29)11-21(18)25(20)13-15/h3-4,6-9,11,15H,5,10,12-13H2,1-2H3,(H,26,27)/t15-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 38n/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
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50333871
PNG
((R)-2-(7-(4-fluoro-N-methylphenylsulfonamido)-3-(m...)
Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3ccc(cc3n2C1)S(C)(=O)=O)S(=O)(=O)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C22H23FN2O6S2/c1-24(33(30,31)16-6-3-14(23)4-7-16)15-5-10-20-19(12-22(26)27)18-9-8-17(32(2,28)29)11-21(18)25(20)13-15/h3-4,6-9,11,15H,5,10,12-13H2,1-2H3,(H,26,27)/t15-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5n/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