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BDBM50333849 (R)-2-(7-(N-(cyclopropylmethyl)-4-fluorophenylsulfonamido)-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)acetic acid::CHEMBL1643788

SMILES: OC(=O)Cc1c2CC[C@H](Cn2c2ccccc12)N(CC1CC1)S(=O)(=O)c1ccc(F)cc1

InChI Key: InChIKey=ONYPZLDHENOVTO-GOSISDBHSA-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 = 50333849   
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))
BDBM50333849
PNG
((R)-2-(7-(N-(cyclopropylmethyl)-4-fluorophenylsulf...)
Show SMILES OC(=O)Cc1c2CC[C@H](Cn2c2ccccc12)N(CC1CC1)S(=O)(=O)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C24H25FN2O4S/c25-17-7-10-19(11-8-17)32(30,31)27(14-16-5-6-16)18-9-12-23-21(13-24(28)29)20-3-1-2-4-22(20)26(23)15-18/h1-4,7-8,10-11,16,18H,5-6,9,12-15H2,(H,28,29)/t18-/m1/s1
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Article
PubMed
4.90n/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))
BDBM50333849
PNG
((R)-2-(7-(N-(cyclopropylmethyl)-4-fluorophenylsulf...)
Show SMILES OC(=O)Cc1c2CC[C@H](Cn2c2ccccc12)N(CC1CC1)S(=O)(=O)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C24H25FN2O4S/c25-17-7-10-19(11-8-17)32(30,31)27(14-16-5-6-16)18-9-12-23-21(13-24(28)29)20-3-1-2-4-22(20)26(23)15-18/h1-4,7-8,10-11,16,18H,5-6,9,12-15H2,(H,28,29)/t18-/m1/s1
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Article
PubMed
130n/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))
BDBM50333849
PNG
((R)-2-(7-(N-(cyclopropylmethyl)-4-fluorophenylsulf...)
Show SMILES OC(=O)Cc1c2CC[C@H](Cn2c2ccccc12)N(CC1CC1)S(=O)(=O)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C24H25FN2O4S/c25-17-7-10-19(11-8-17)32(30,31)27(14-16-5-6-16)18-9-12-23-21(13-24(28)29)20-3-1-2-4-22(20)26(23)15-18/h1-4,7-8,10-11,16,18H,5-6,9,12-15H2,(H,28,29)/t18-/m1/s1
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1.22E+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))
BDBM50333849
PNG
((R)-2-(7-(N-(cyclopropylmethyl)-4-fluorophenylsulf...)
Show SMILES OC(=O)Cc1c2CC[C@H](Cn2c2ccccc12)N(CC1CC1)S(=O)(=O)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C24H25FN2O4S/c25-17-7-10-19(11-8-17)32(30,31)27(14-16-5-6-16)18-9-12-23-21(13-24(28)29)20-3-1-2-4-22(20)26(23)15-18/h1-4,7-8,10-11,16,18H,5-6,9,12-15H2,(H,28,29)/t18-/m1/s1
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n/an/a 6.70n/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