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BDBM50344164 (R)-2-(7-(1-(4-fluorophenyl)-N-methylcyclobutanecarboxamido)-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)acetic acid::CHEMBL1778524

SMILES: CN([C@@H]1CCc2c(CC(O)=O)c3ccccc3n2C1)C(=O)C1(CCC1)c1ccc(F)cc1

InChI Key: InChIKey=QYRBBRRASAPCLC-LJQANCHMSA-N

Data: 1 KI  3 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 = 50344164   
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))
BDBM50344164
PNG
((R)-2-(7-(1-(4-fluorophenyl)-N-methylcyclobutaneca...)
Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3ccccc3n2C1)C(=O)C1(CCC1)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C26H27FN2O3/c1-28(25(32)26(13-4-14-26)17-7-9-18(27)10-8-17)19-11-12-23-21(15-24(30)31)20-5-2-3-6-22(20)29(23)16-19/h2-3,5-10,19H,4,11-16H2,1H3,(H,30,31)/t19-/m1/s1
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1.80n/an/an/an/an/an/an/an/a



Merck Frosst

Curated by ChEMBL


Assay Description
Binding affinity to human CRTH2 receptor expressed in HEK293-EBNA cells by radioligand competition binding assay


Bioorg Med Chem Lett 21: 3471-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.085
BindingDB Entry DOI: 10.7270/Q2T72HSR
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50344164
PNG
((R)-2-(7-(1-(4-fluorophenyl)-N-methylcyclobutaneca...)
Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3ccccc3n2C1)C(=O)C1(CCC1)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C26H27FN2O3/c1-28(25(32)26(13-4-14-26)17-7-9-18(27)10-8-17)19-11-12-23-21(15-24(30)31)20-5-2-3-6-22(20)29(23)16-19/h2-3,5-10,19H,4,11-16H2,1H3,(H,30,31)/t19-/m1/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Merck Frosst

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9


Bioorg Med Chem Lett 21: 3471-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.085
BindingDB Entry DOI: 10.7270/Q2T72HSR
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50344164
PNG
((R)-2-(7-(1-(4-fluorophenyl)-N-methylcyclobutaneca...)
Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3ccccc3n2C1)C(=O)C1(CCC1)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C26H27FN2O3/c1-28(25(32)26(13-4-14-26)17-7-9-18(27)10-8-17)19-11-12-23-21(15-24(30)31)20-5-2-3-6-22(20)29(23)16-19/h2-3,5-10,19H,4,11-16H2,1H3,(H,30,31)/t19-/m1/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Merck Frosst

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


Bioorg Med Chem Lett 21: 3471-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.085
BindingDB Entry DOI: 10.7270/Q2T72HSR
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50344164
PNG
((R)-2-(7-(1-(4-fluorophenyl)-N-methylcyclobutaneca...)
Show SMILES CN([C@@H]1CCc2c(CC(O)=O)c3ccccc3n2C1)C(=O)C1(CCC1)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C26H27FN2O3/c1-28(25(32)26(13-4-14-26)17-7-9-18(27)10-8-17)19-11-12-23-21(15-24(30)31)20-5-2-3-6-22(20)29(23)16-19/h2-3,5-10,19H,4,11-16H2,1H3,(H,30,31)/t19-/m1/s1
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n/an/a 4n/an/an/an/an/an/a



Merck Frosst

Curated by ChEMBL


Assay Description
Antagonist activity at human CRTH2 receptor expressed in HEK293-EBNA cells assessed as inhibition of forskolin-stimulated intracellular cAMP producti...


Bioorg Med Chem Lett 21: 3471-4 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.085
BindingDB Entry DOI: 10.7270/Q2T72HSR
More data for this
Ligand-Target Pair