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SMILES: OC(=O)CCC\C=C/C[C@@H]1[C@H]2CC[C@H](C2)[C@H]1NS(=O)(=O)c1ccc2cc([nH]c2c1)-c1ccccc1

InChI Key: InChIKey=ZXYKMMPSNMXKBO-WPKXVAIUSA-N

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50060448   
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
Prostaglandin D2 receptor


(Homo sapiens (Human))
BDBM50060448
PNG
((+) 7-[3-(2-Phenyl-1H-indole-6-sulfonylamino)-bicy...)
Show SMILES OC(=O)CCC\C=C/C[C@@H]1[C@H]2CC[C@H](C2)[C@H]1NS(=O)(=O)c1ccc2cc([nH]c2c1)-c1ccccc1
Show InChI InChI=1S/C28H32N2O4S/c31-27(32)11-7-2-1-6-10-24-20-12-13-22(16-20)28(24)30-35(33,34)23-15-14-21-17-25(29-26(21)18-23)19-8-4-3-5-9-19/h1,3-6,8-9,14-15,17-18,20,22,24,28-30H,2,7,10-13,16H2,(H,31,32)/b6-1-/t20-,22+,24+,28+/m0/s1
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n/an/a 120n/an/an/an/an/an/a



Shionogi & Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of cAMP formation evoked by the prostaglandin D2 receptor in human platelets


J Med Chem 40: 3504-7 (1997)


Article DOI: 10.1021/jm970343g
BindingDB Entry DOI: 10.7270/Q2959GP9
More data for this
Ligand-Target Pair
Prostacyclin receptor


(Homo sapiens (Human))
BDBM50060448
PNG
((+) 7-[3-(2-Phenyl-1H-indole-6-sulfonylamino)-bicy...)
Show SMILES OC(=O)CCC\C=C/C[C@@H]1[C@H]2CC[C@H](C2)[C@H]1NS(=O)(=O)c1ccc2cc([nH]c2c1)-c1ccccc1
Show InChI InChI=1S/C28H32N2O4S/c31-27(32)11-7-2-1-6-10-24-20-12-13-22(16-20)28(24)30-35(33,34)23-15-14-21-17-25(29-26(21)18-23)19-8-4-3-5-9-19/h1,3-6,8-9,14-15,17-18,20,22,24,28-30H,2,7,10-13,16H2,(H,31,32)/b6-1-/t20-,22+,24+,28+/m0/s1
NCI pathway
Reactome pathway
KEGG

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n/an/a>1.00E+4n/an/an/an/an/an/a



Shionogi & Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of cAMP formation by carbacyclin in Prostaglandin I2 receptor (IP) assay


J Med Chem 40: 3504-7 (1997)


Article DOI: 10.1021/jm970343g
BindingDB Entry DOI: 10.7270/Q2959GP9
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor


(Homo sapiens (Human))
BDBM50060448
PNG
((+) 7-[3-(2-Phenyl-1H-indole-6-sulfonylamino)-bicy...)
Show SMILES OC(=O)CCC\C=C/C[C@@H]1[C@H]2CC[C@H](C2)[C@H]1NS(=O)(=O)c1ccc2cc([nH]c2c1)-c1ccccc1
Show InChI InChI=1S/C28H32N2O4S/c31-27(32)11-7-2-1-6-10-24-20-12-13-22(16-20)28(24)30-35(33,34)23-15-14-21-17-25(29-26(21)18-23)19-8-4-3-5-9-19/h1,3-6,8-9,14-15,17-18,20,22,24,28-30H,2,7,10-13,16H2,(H,31,32)/b6-1-/t20-,22+,24+,28+/m0/s1
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n/an/a 71n/an/an/an/an/an/a



Shionogi & Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of cAMP formation evoked by prostaglandin D2 receptor in human platelets


J Med Chem 46: 2436-45 (2003)


Article DOI: 10.1021/jm020517g
BindingDB Entry DOI: 10.7270/Q2154GFS
More data for this
Ligand-Target Pair
Thromboxane A2 receptor


(Homo sapiens (Human))
BDBM50060448
PNG
((+) 7-[3-(2-Phenyl-1H-indole-6-sulfonylamino)-bicy...)
Show SMILES OC(=O)CCC\C=C/C[C@@H]1[C@H]2CC[C@H](C2)[C@H]1NS(=O)(=O)c1ccc2cc([nH]c2c1)-c1ccccc1
Show InChI InChI=1S/C28H32N2O4S/c31-27(32)11-7-2-1-6-10-24-20-12-13-22(16-20)28(24)30-35(33,34)23-15-14-21-17-25(29-26(21)18-23)19-8-4-3-5-9-19/h1,3-6,8-9,14-15,17-18,20,22,24,28-30H,2,7,10-13,16H2,(H,31,32)/b6-1-/t20-,22+,24+,28+/m0/s1
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n/an/a 1.20E+3n/an/an/an/an/an/a



Shionogi & Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of [3H]- (+)-S-145 specific binding to human platelet membranes in TXA2 receptor (TP) assay


J Med Chem 40: 3504-7 (1997)


Article DOI: 10.1021/jm970343g
BindingDB Entry DOI: 10.7270/Q2959GP9
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor


(Homo sapiens (Human))
BDBM50060448
PNG
((+) 7-[3-(2-Phenyl-1H-indole-6-sulfonylamino)-bicy...)
Show SMILES OC(=O)CCC\C=C/C[C@@H]1[C@H]2CC[C@H](C2)[C@H]1NS(=O)(=O)c1ccc2cc([nH]c2c1)-c1ccccc1
Show InChI InChI=1S/C28H32N2O4S/c31-27(32)11-7-2-1-6-10-24-20-12-13-22(16-20)28(24)30-35(33,34)23-15-14-21-17-25(29-26(21)18-23)19-8-4-3-5-9-19/h1,3-6,8-9,14-15,17-18,20,22,24,28-30H,2,7,10-13,16H2,(H,31,32)/b6-1-/t20-,22+,24+,28+/m0/s1
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n/an/a 47n/an/an/an/an/an/a



Shionogi & Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]- PGD-2 radioligand binding to prostaglandin D2 receptor on human platelet membrane


J Med Chem 46: 2436-45 (2003)


Article DOI: 10.1021/jm020517g
BindingDB Entry DOI: 10.7270/Q2154GFS
More data for this
Ligand-Target Pair
Prostaglandin D2 receptor


(Homo sapiens (Human))
BDBM50060448
PNG
((+) 7-[3-(2-Phenyl-1H-indole-6-sulfonylamino)-bicy...)
Show SMILES OC(=O)CCC\C=C/C[C@@H]1[C@H]2CC[C@H](C2)[C@H]1NS(=O)(=O)c1ccc2cc([nH]c2c1)-c1ccccc1
Show InChI InChI=1S/C28H32N2O4S/c31-27(32)11-7-2-1-6-10-24-20-12-13-22(16-20)28(24)30-35(33,34)23-15-14-21-17-25(29-26(21)18-23)19-8-4-3-5-9-19/h1,3-6,8-9,14-15,17-18,20,22,24,28-30H,2,7,10-13,16H2,(H,31,32)/b6-1-/t20-,22+,24+,28+/m0/s1
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n/an/a 47n/an/an/an/an/an/a



Shionogi & Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of [3H]-PGD-2 specific binding to Prostaglandin D2 receptor fromhuman platelet membranes


J Med Chem 40: 3504-7 (1997)


Article DOI: 10.1021/jm970343g
BindingDB Entry DOI: 10.7270/Q2959GP9
More data for this
Ligand-Target Pair