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BDBM50333851 (R)-2-(7-(4-fluoro-N-(2,2,2-trifluoroethyl)phenylsulfonamido)-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)acetic acid::CHEMBL1643790

SMILES: OC(=O)Cc1c2CC[C@H](Cn2c2ccccc12)N(CC(F)(F)F)S(=O)(=O)c1ccc(F)cc1

InChI Key: InChIKey=OELVPGVSMLPSGD-OAHLLOKOSA-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 = 50333851   
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))
BDBM50333851
PNG
((R)-2-(7-(4-fluoro-N-(2,2,2-trifluoroethyl)phenyls...)
Show SMILES OC(=O)Cc1c2CC[C@H](Cn2c2ccccc12)N(CC(F)(F)F)S(=O)(=O)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C22H20F4N2O4S/c23-14-5-8-16(9-6-14)33(31,32)28(13-22(24,25)26)15-7-10-20-18(11-21(29)30)17-3-1-2-4-19(17)27(20)12-15/h1-6,8-9,15H,7,10-13H2,(H,29,30)/t15-/m1/s1
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Article
PubMed
3.70n/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))
BDBM50333851
PNG
((R)-2-(7-(4-fluoro-N-(2,2,2-trifluoroethyl)phenyls...)
Show SMILES OC(=O)Cc1c2CC[C@H](Cn2c2ccccc12)N(CC(F)(F)F)S(=O)(=O)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C22H20F4N2O4S/c23-14-5-8-16(9-6-14)33(31,32)28(13-22(24,25)26)15-7-10-20-18(11-21(29)30)17-3-1-2-4-19(17)27(20)12-15/h1-6,8-9,15H,7,10-13H2,(H,29,30)/t15-/m1/s1
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Article
PubMed
16n/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))
BDBM50333851
PNG
((R)-2-(7-(4-fluoro-N-(2,2,2-trifluoroethyl)phenyls...)
Show SMILES OC(=O)Cc1c2CC[C@H](Cn2c2ccccc12)N(CC(F)(F)F)S(=O)(=O)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C22H20F4N2O4S/c23-14-5-8-16(9-6-14)33(31,32)28(13-22(24,25)26)15-7-10-20-18(11-21(29)30)17-3-1-2-4-19(17)27(20)12-15/h1-6,8-9,15H,7,10-13H2,(H,29,30)/t15-/m1/s1
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PubMed
1.36E+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))
BDBM50333851
PNG
((R)-2-(7-(4-fluoro-N-(2,2,2-trifluoroethyl)phenyls...)
Show SMILES OC(=O)Cc1c2CC[C@H](Cn2c2ccccc12)N(CC(F)(F)F)S(=O)(=O)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C22H20F4N2O4S/c23-14-5-8-16(9-6-14)33(31,32)28(13-22(24,25)26)15-7-10-20-18(11-21(29)30)17-3-1-2-4-19(17)27(20)12-15/h1-6,8-9,15H,7,10-13H2,(H,29,30)/t15-/m1/s1
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n/an/a 6.90n/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