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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)c1ccc2oc3cc(ccc3c2c1)[N+]([O-])=O

InChI Key: InChIKey=ZMBBKVGMOIMAPX-ODJFZNCDSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50060451   
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))
BDBM50060451
PNG
((+) 7-[3-(7-Nitro-dibenzofuran-2-sulfonylamino)-bi...)
Show SMILES OC(=O)CCC\C=C/C[C@@H]1[C@H]2CC[C@H](C2)[C@H]1NS(=O)(=O)c1ccc2oc3cc(ccc3c2c1)[N+]([O-])=O
Show InChI InChI=1S/C26H28N2O7S/c29-25(30)6-4-2-1-3-5-20-16-7-8-17(13-16)26(20)27-36(33,34)19-10-12-23-22(15-19)21-11-9-18(28(31)32)14-24(21)35-23/h1,3,9-12,14-17,20,26-27H,2,4-8,13H2,(H,29,30)/b3-1-/t16-,17+,20+,26+/m0/s1
UniProtKB/SwissProt

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Article
PubMed
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
Prostacyclin receptor


(Homo sapiens (Human))
BDBM50060451
PNG
((+) 7-[3-(7-Nitro-dibenzofuran-2-sulfonylamino)-bi...)
Show SMILES OC(=O)CCC\C=C/C[C@@H]1[C@H]2CC[C@H](C2)[C@H]1NS(=O)(=O)c1ccc2oc3cc(ccc3c2c1)[N+]([O-])=O
Show InChI InChI=1S/C26H28N2O7S/c29-25(30)6-4-2-1-3-5-20-16-7-8-17(13-16)26(20)27-36(33,34)19-10-12-23-22(15-19)21-11-9-18(28(31)32)14-24(21)35-23/h1,3,9-12,14-17,20,26-27H,2,4-8,13H2,(H,29,30)/b3-1-/t16-,17+,20+,26+/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 4.50E+3n/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))
BDBM50060451
PNG
((+) 7-[3-(7-Nitro-dibenzofuran-2-sulfonylamino)-bi...)
Show SMILES OC(=O)CCC\C=C/C[C@@H]1[C@H]2CC[C@H](C2)[C@H]1NS(=O)(=O)c1ccc2oc3cc(ccc3c2c1)[N+]([O-])=O
Show InChI InChI=1S/C26H28N2O7S/c29-25(30)6-4-2-1-3-5-20-16-7-8-17(13-16)26(20)27-36(33,34)19-10-12-23-22(15-19)21-11-9-18(28(31)32)14-24(21)35-23/h1,3,9-12,14-17,20,26-27H,2,4-8,13H2,(H,29,30)/b3-1-/t16-,17+,20+,26+/m0/s1
UniProtKB/SwissProt

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Article
PubMed
n/an/a 550n/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))
BDBM50060451
PNG
((+) 7-[3-(7-Nitro-dibenzofuran-2-sulfonylamino)-bi...)
Show SMILES OC(=O)CCC\C=C/C[C@@H]1[C@H]2CC[C@H](C2)[C@H]1NS(=O)(=O)c1ccc2oc3cc(ccc3c2c1)[N+]([O-])=O
Show InChI InChI=1S/C26H28N2O7S/c29-25(30)6-4-2-1-3-5-20-16-7-8-17(13-16)26(20)27-36(33,34)19-10-12-23-22(15-19)21-11-9-18(28(31)32)14-24(21)35-23/h1,3,9-12,14-17,20,26-27H,2,4-8,13H2,(H,29,30)/b3-1-/t16-,17+,20+,26+/m0/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 57n/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
Prostaglandin D2 receptor


(Homo sapiens (Human))
BDBM50060451
PNG
((+) 7-[3-(7-Nitro-dibenzofuran-2-sulfonylamino)-bi...)
Show SMILES OC(=O)CCC\C=C/C[C@@H]1[C@H]2CC[C@H](C2)[C@H]1NS(=O)(=O)c1ccc2oc3cc(ccc3c2c1)[N+]([O-])=O
Show InChI InChI=1S/C26H28N2O7S/c29-25(30)6-4-2-1-3-5-20-16-7-8-17(13-16)26(20)27-36(33,34)19-10-12-23-22(15-19)21-11-9-18(28(31)32)14-24(21)35-23/h1,3,9-12,14-17,20,26-27H,2,4-8,13H2,(H,29,30)/b3-1-/t16-,17+,20+,26+/m0/s1
UniProtKB/SwissProt

antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 1.10E+3n/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