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BDBM50060465 (+) 7-[3-(4-Phenylethynyl-benzenesulfonylamino)-bicyclo[2.2.1]hept-2-yl]-hept-5-enoic acid::(Z)-7-[(1S,2R,3R,4R)-3-(4-Phenylethynyl-benzenesulfonylamino)-bicyclo[2.2.1]hept-2-yl]-hept-5-enoic acid::CHEMBL82489

SMILES: OC(=O)CCC\C=C/C[C@@H]1[C@H]2CC[C@H](C2)[C@H]1NS(=O)(=O)c1ccc(cc1)C#Cc1ccccc1

InChI Key: InChIKey=SDLQZKJKHCYBOV-CWORAHIDSA-N

Data: 6 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 6 hits for monomerid = 50060465   
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
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50060465
PNG
((+) 7-[3-(4-Phenylethynyl-benzenesulfonylamino)-bi...)
Show SMILES OC(=O)CCC\C=C/C[C@@H]1[C@H]2CC[C@H](C2)[C@H]1NS(=O)(=O)c1ccc(cc1)C#Cc1ccccc1
Show InChI InChI=1S/C28H31NO4S/c30-27(31)11-7-2-1-6-10-26-23-16-17-24(20-23)28(26)29-34(32,33)25-18-14-22(15-19-25)13-12-21-8-4-3-5-9-21/h1,3-6,8-9,14-15,18-19,23-24,26,28-29H,2,7,10-11,16-17,20H2,(H,30,31)/b6-1-/t23-,24+,26+,28+/m0/s1
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n/an/a 8.60n/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
Prostanoid IP receptor


(Homo sapiens (Human))
BDBM50060465
PNG
((+) 7-[3-(4-Phenylethynyl-benzenesulfonylamino)-bi...)
Show SMILES OC(=O)CCC\C=C/C[C@@H]1[C@H]2CC[C@H](C2)[C@H]1NS(=O)(=O)c1ccc(cc1)C#Cc1ccccc1
Show InChI InChI=1S/C28H31NO4S/c30-27(31)11-7-2-1-6-10-26-23-16-17-24(20-23)28(26)29-34(32,33)25-18-14-22(15-19-25)13-12-21-8-4-3-5-9-21/h1,3-6,8-9,14-15,18-19,23-24,26,28-29H,2,7,10-11,16-17,20H2,(H,30,31)/b6-1-/t23-,24+,26+,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
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50060465
PNG
((+) 7-[3-(4-Phenylethynyl-benzenesulfonylamino)-bi...)
Show SMILES OC(=O)CCC\C=C/C[C@@H]1[C@H]2CC[C@H](C2)[C@H]1NS(=O)(=O)c1ccc(cc1)C#Cc1ccccc1
Show InChI InChI=1S/C28H31NO4S/c30-27(31)11-7-2-1-6-10-26-23-16-17-24(20-23)28(26)29-34(32,33)25-18-14-22(15-19-25)13-12-21-8-4-3-5-9-21/h1,3-6,8-9,14-15,18-19,23-24,26,28-29H,2,7,10-11,16-17,20H2,(H,30,31)/b6-1-/t23-,24+,26+,28+/m0/s1
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n/an/a 8.5n/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
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50060465
PNG
((+) 7-[3-(4-Phenylethynyl-benzenesulfonylamino)-bi...)
Show SMILES OC(=O)CCC\C=C/C[C@@H]1[C@H]2CC[C@H](C2)[C@H]1NS(=O)(=O)c1ccc(cc1)C#Cc1ccccc1
Show InChI InChI=1S/C28H31NO4S/c30-27(31)11-7-2-1-6-10-26-23-16-17-24(20-23)28(26)29-34(32,33)25-18-14-22(15-19-25)13-12-21-8-4-3-5-9-21/h1,3-6,8-9,14-15,18-19,23-24,26,28-29H,2,7,10-11,16-17,20H2,(H,30,31)/b6-1-/t23-,24+,26+,28+/m0/s1
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n/an/a 250n/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
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50060465
PNG
((+) 7-[3-(4-Phenylethynyl-benzenesulfonylamino)-bi...)
Show SMILES OC(=O)CCC\C=C/C[C@@H]1[C@H]2CC[C@H](C2)[C@H]1NS(=O)(=O)c1ccc(cc1)C#Cc1ccccc1
Show InChI InChI=1S/C28H31NO4S/c30-27(31)11-7-2-1-6-10-26-23-16-17-24(20-23)28(26)29-34(32,33)25-18-14-22(15-19-25)13-12-21-8-4-3-5-9-21/h1,3-6,8-9,14-15,18-19,23-24,26,28-29H,2,7,10-11,16-17,20H2,(H,30,31)/b6-1-/t23-,24+,26+,28+/m0/s1
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n/an/a 210n/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
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50060465
PNG
((+) 7-[3-(4-Phenylethynyl-benzenesulfonylamino)-bi...)
Show SMILES OC(=O)CCC\C=C/C[C@@H]1[C@H]2CC[C@H](C2)[C@H]1NS(=O)(=O)c1ccc(cc1)C#Cc1ccccc1
Show InChI InChI=1S/C28H31NO4S/c30-27(31)11-7-2-1-6-10-26-23-16-17-24(20-23)28(26)29-34(32,33)25-18-14-22(15-19-25)13-12-21-8-4-3-5-9-21/h1,3-6,8-9,14-15,18-19,23-24,26,28-29H,2,7,10-11,16-17,20H2,(H,30,31)/b6-1-/t23-,24+,26+,28+/m0/s1
UniProtKB/SwissProt

antibodypedia
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n/an/a 280n/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