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BDBM50296984 (R)-2-(6-(4-fluoro-N-methylphenylsulfonamido)-7,8-dihydro-5H-pyrido[3,4-b]indol-9(6H)-yl)acetic acid::CHEMBL550868

SMILES: CN([C@@H]1CCc2c(C1)c1ccncc1n2CC(O)=O)S(=O)(=O)c1ccc(F)cc1

InChI Key: InChIKey=UHMQYWPLWZKMOS-CQSZACIVSA-N

Data: 8 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 8 hits for monomerid = 50296984   
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))
BDBM50296984
PNG
((R)-2-(6-(4-fluoro-N-methylphenylsulfonamido)-7,8-...)
Show SMILES CN([C@@H]1CCc2c(C1)c1ccncc1n2CC(O)=O)S(=O)(=O)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C20H20FN3O4S/c1-23(29(27,28)15-5-2-13(21)3-6-15)14-4-7-18-17(10-14)16-8-9-22-11-19(16)24(18)12-20(25)26/h2-3,5-6,8-9,11,14H,4,7,10,12H2,1H3,(H,25,26)/t14-/m1/s1
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n/an/a 940n/an/an/an/an/an/a



Amira Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human prostaglandin D2 receptor in presence of human serum albumin


Bioorg Med Chem Lett 19: 4647-51 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.085
BindingDB Entry DOI: 10.7270/Q25T3KHB
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50296984
PNG
((R)-2-(6-(4-fluoro-N-methylphenylsulfonamido)-7,8-...)
Show SMILES CN([C@@H]1CCc2c(C1)c1ccncc1n2CC(O)=O)S(=O)(=O)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C20H20FN3O4S/c1-23(29(27,28)15-5-2-13(21)3-6-15)14-4-7-18-17(10-14)16-8-9-22-11-19(16)24(18)12-20(25)26/h2-3,5-6,8-9,11,14H,4,7,10,12H2,1H3,(H,25,26)/t14-/m1/s1
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n/an/a 860n/an/an/an/an/an/a



Amira Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from human prostaglandin D2 receptor


Bioorg Med Chem Lett 19: 4647-51 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.085
BindingDB Entry DOI: 10.7270/Q25T3KHB
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50296984
PNG
((R)-2-(6-(4-fluoro-N-methylphenylsulfonamido)-7,8-...)
Show SMILES CN([C@@H]1CCc2c(C1)c1ccncc1n2CC(O)=O)S(=O)(=O)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C20H20FN3O4S/c1-23(29(27,28)15-5-2-13(21)3-6-15)14-4-7-18-17(10-14)16-8-9-22-11-19(16)24(18)12-20(25)26/h2-3,5-6,8-9,11,14H,4,7,10,12H2,1H3,(H,25,26)/t14-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Amira Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]PGD2 from prostaglandin D1 receptor in human platelet membrane


Bioorg Med Chem Lett 19: 4647-51 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.085
BindingDB Entry DOI: 10.7270/Q25T3KHB
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM50296984
PNG
((R)-2-(6-(4-fluoro-N-methylphenylsulfonamido)-7,8-...)
Show SMILES CN([C@@H]1CCc2c(C1)c1ccncc1n2CC(O)=O)S(=O)(=O)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C20H20FN3O4S/c1-23(29(27,28)15-5-2-13(21)3-6-15)14-4-7-18-17(10-14)16-8-9-22-11-19(16)24(18)12-20(25)26/h2-3,5-6,8-9,11,14H,4,7,10,12H2,1H3,(H,25,26)/t14-/m1/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Amira Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human CYP2D6


Bioorg Med Chem Lett 19: 4647-51 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.085
BindingDB Entry DOI: 10.7270/Q25T3KHB
More data for this
Ligand-Target Pair
Prostanoid IP receptor


(Homo sapiens (Human))
BDBM50296984
PNG
((R)-2-(6-(4-fluoro-N-methylphenylsulfonamido)-7,8-...)
Show SMILES CN([C@@H]1CCc2c(C1)c1ccncc1n2CC(O)=O)S(=O)(=O)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C20H20FN3O4S/c1-23(29(27,28)15-5-2-13(21)3-6-15)14-4-7-18-17(10-14)16-8-9-22-11-19(16)24(18)12-20(25)26/h2-3,5-6,8-9,11,14H,4,7,10,12H2,1H3,(H,25,26)/t14-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Amira Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]iloprost from human prostacyclin receptor expressed in human 293 cell membrane


Bioorg Med Chem Lett 19: 4647-51 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.085
BindingDB Entry DOI: 10.7270/Q25T3KHB
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50296984
PNG
((R)-2-(6-(4-fluoro-N-methylphenylsulfonamido)-7,8-...)
Show SMILES CN([C@@H]1CCc2c(C1)c1ccncc1n2CC(O)=O)S(=O)(=O)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C20H20FN3O4S/c1-23(29(27,28)15-5-2-13(21)3-6-15)14-4-7-18-17(10-14)16-8-9-22-11-19(16)24(18)12-20(25)26/h2-3,5-6,8-9,11,14H,4,7,10,12H2,1H3,(H,25,26)/t14-/m1/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Amira Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human CYP3A4


Bioorg Med Chem Lett 19: 4647-51 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.085
BindingDB Entry DOI: 10.7270/Q25T3KHB
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50296984
PNG
((R)-2-(6-(4-fluoro-N-methylphenylsulfonamido)-7,8-...)
Show SMILES CN([C@@H]1CCc2c(C1)c1ccncc1n2CC(O)=O)S(=O)(=O)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C20H20FN3O4S/c1-23(29(27,28)15-5-2-13(21)3-6-15)14-4-7-18-17(10-14)16-8-9-22-11-19(16)24(18)12-20(25)26/h2-3,5-6,8-9,11,14H,4,7,10,12H2,1H3,(H,25,26)/t14-/m1/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



Amira Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human CYP2C9


Bioorg Med Chem Lett 19: 4647-51 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.085
BindingDB Entry DOI: 10.7270/Q25T3KHB
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50296984
PNG
((R)-2-(6-(4-fluoro-N-methylphenylsulfonamido)-7,8-...)
Show SMILES CN([C@@H]1CCc2c(C1)c1ccncc1n2CC(O)=O)S(=O)(=O)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C20H20FN3O4S/c1-23(29(27,28)15-5-2-13(21)3-6-15)14-4-7-18-17(10-14)16-8-9-22-11-19(16)24(18)12-20(25)26/h2-3,5-6,8-9,11,14H,4,7,10,12H2,1H3,(H,25,26)/t14-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Amira Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]SQ-29548 from thromboxane receptor in human platelet membrane


Bioorg Med Chem Lett 19: 4647-51 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.085
BindingDB Entry DOI: 10.7270/Q25T3KHB
More data for this
Ligand-Target Pair