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BDBM50333502 (R)-2-(8-(1-(4-fluorophenyl)-N-methylcyclobutanecarboxamido)-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-5-yl)acetic acid::CHEMBL1641816

SMILES: CN([C@@H]1CCc2c(CC(O)=O)c3cccnc3n2C1)C(=O)C1(CCC1)c1ccc(F)cc1

InChI Key: InChIKey=XJXZIBHKBKXCGX-GOSISDBHSA-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 = 50333502   
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))
BDBM50333502
PNG
((R)-2-(8-(1-(4-fluorophenyl)-N-methylcyclobutaneca...)
Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3cccnc3n2C1)C(=O)C1(CCC1)c1ccc(F)cc1
Show InChI InChI=1S/C25H26FN3O3/c1-28(24(32)25(11-3-12-25)16-5-7-17(26)8-6-16)18-9-10-21-20(14-22(30)31)19-4-2-13-27-23(19)29(21)15-18/h2,4-8,13,18H,3,9-12,14-15H2,1H3,(H,30,31)/t18-/m1/s1
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Article
PubMed
3.40n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from human CRTH2 expressed in HEK293 cells by competitive binding assay


Bioorg Med Chem Lett 21: 841-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.084
BindingDB Entry DOI: 10.7270/Q24J0FCP
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50333502
PNG
((R)-2-(8-(1-(4-fluorophenyl)-N-methylcyclobutaneca...)
Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3cccnc3n2C1)C(=O)C1(CCC1)c1ccc(F)cc1
Show InChI InChI=1S/C25H26FN3O3/c1-28(24(32)25(11-3-12-25)16-5-7-17(26)8-6-16)18-9-10-21-20(14-22(30)31)19-4-2-13-27-23(19)29(21)15-18/h2,4-8,13,18H,3,9-12,14-15H2,1H3,(H,30,31)/t18-/m1/s1
UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
>4.00E+3n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from prostanoid DP receptor expressed in HEK293 cells by competitive binding assay


Bioorg Med Chem Lett 21: 841-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.084
BindingDB Entry DOI: 10.7270/Q24J0FCP
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50333502
PNG
((R)-2-(8-(1-(4-fluorophenyl)-N-methylcyclobutaneca...)
Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3cccnc3n2C1)C(=O)C1(CCC1)c1ccc(F)cc1
Show InChI InChI=1S/C25H26FN3O3/c1-28(24(32)25(11-3-12-25)16-5-7-17(26)8-6-16)18-9-10-21-20(14-22(30)31)19-4-2-13-27-23(19)29(21)15-18/h2,4-8,13,18H,3,9-12,14-15H2,1H3,(H,30,31)/t18-/m1/s1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
>7.20E+3n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Displacement of radioligand from prostanoid TP receptor expressed in HEK293 cells by competitive binding assay


Bioorg Med Chem Lett 21: 841-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.084
BindingDB Entry DOI: 10.7270/Q24J0FCP
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50333502
PNG
((R)-2-(8-(1-(4-fluorophenyl)-N-methylcyclobutaneca...)
Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3cccnc3n2C1)C(=O)C1(CCC1)c1ccc(F)cc1
Show InChI InChI=1S/C25H26FN3O3/c1-28(24(32)25(11-3-12-25)16-5-7-17(26)8-6-16)18-9-10-21-20(14-22(30)31)19-4-2-13-27-23(19)29(21)15-18/h2,4-8,13,18H,3,9-12,14-15H2,1H3,(H,30,31)/t18-/m1/s1
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Article
PubMed
n/an/a 1.20n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Antagonist activity at CRTH2 in human eosinophil assessed as effect of cellular shape change by EOS assay


Bioorg Med Chem Lett 21: 841-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.084
BindingDB Entry DOI: 10.7270/Q24J0FCP
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50333502
PNG
((R)-2-(8-(1-(4-fluorophenyl)-N-methylcyclobutaneca...)
Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3cccnc3n2C1)C(=O)C1(CCC1)c1ccc(F)cc1
Show InChI InChI=1S/C25H26FN3O3/c1-28(24(32)25(11-3-12-25)16-5-7-17(26)8-6-16)18-9-10-21-20(14-22(30)31)19-4-2-13-27-23(19)29(21)15-18/h2,4-8,13,18H,3,9-12,14-15H2,1H3,(H,30,31)/t18-/m1/s1
Reactome pathway
KEGG

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 4.70n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Antagonist activity at human CRTH2 expressed in HEK293 cells assessed as inhibition of forskolin-induced increase intracellular [125I]cAMP level by s...


Bioorg Med Chem Lett 21: 841-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.084
BindingDB Entry DOI: 10.7270/Q24J0FCP
More data for this
Ligand-Target Pair