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BDBM50008805 7-(3-Benzenesulfonylamino-bicyclo[2.2.1]hept-2-yl)-hept-5-enoic acid::CHEMBL56941::S 145::S-145,(+)

SMILES: OC(=O)CCC\C=C/C[C@H]1[C@@H]2CCC(C2)C1NS(=O)(=O)c1ccccc1

InChI Key: InChIKey=PWTCIBWRMQFJBC-LIANOHOESA-N

Data: 4 KI  1 Kd

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 5 hits for monomerid = 50008805   
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
PGD2


(HUMAN)
BDBM50008805
PNG
(7-(3-Benzenesulfonylamino-bicyclo[2.2.1]hept-2-yl)...)
Show SMILES OC(=O)CCC\C=C/C[C@H]1[C@@H]2CCC(C2)C1NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C20H27NO4S/c22-19(23)11-7-2-1-6-10-18-15-12-13-16(14-15)20(18)21-26(24,25)17-8-4-3-5-9-17/h1,3-6,8-9,15-16,18,20-21H,2,7,10-14H2,(H,22,23)/b6-1-/t15-,16?,18+,20?/m1/s1
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PC cid
PC sid
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Similars

PubMed
0.340n/an/an/an/an/an/an/an/a



Shionogi & Co.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 298: 411-9 (2001)


BindingDB Entry DOI: 10.7270/Q2028Q3C
More data for this
Ligand-Target Pair
PGD2


(GUINEA PIG)
BDBM50008805
PNG
(7-(3-Benzenesulfonylamino-bicyclo[2.2.1]hept-2-yl)...)
Show SMILES OC(=O)CCC\C=C/C[C@H]1[C@@H]2CCC(C2)C1NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C20H27NO4S/c22-19(23)11-7-2-1-6-10-18-15-12-13-16(14-15)20(18)21-26(24,25)17-8-4-3-5-9-17/h1,3-6,8-9,15-16,18,20-21H,2,7,10-14H2,(H,22,23)/b6-1-/t15-,16?,18+,20?/m1/s1
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PubMed
0.490n/an/an/an/an/an/an/an/a



Shionogi & Co.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 298: 411-9 (2001)


BindingDB Entry DOI: 10.7270/Q2028Q3C
More data for this
Ligand-Target Pair
Thromboxane Alpha


(MOUSE)
BDBM50008805
PNG
(7-(3-Benzenesulfonylamino-bicyclo[2.2.1]hept-2-yl)...)
Show SMILES OC(=O)CCC\C=C/C[C@H]1[C@@H]2CCC(C2)C1NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C20H27NO4S/c22-19(23)11-7-2-1-6-10-18-15-12-13-16(14-15)20(18)21-26(24,25)17-8-4-3-5-9-17/h1,3-6,8-9,15-16,18,20-21H,2,7,10-14H2,(H,22,23)/b6-1-/t15-,16?,18+,20?/m1/s1
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Article
PubMed
0.680n/an/an/an/an/an/an/an/a



Kyoto University

Curated by PDSP Ki Database




Br J Pharmacol 122: 217-24 (1997)


Article DOI: 10.1038/sj.bjp.0701367
BindingDB Entry DOI: 10.7270/Q26M35CT
More data for this
Ligand-Target Pair
PGD2


(HUMAN)
BDBM50008805
PNG
(7-(3-Benzenesulfonylamino-bicyclo[2.2.1]hept-2-yl)...)
Show SMILES OC(=O)CCC\C=C/C[C@H]1[C@@H]2CCC(C2)C1NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C20H27NO4S/c22-19(23)11-7-2-1-6-10-18-15-12-13-16(14-15)20(18)21-26(24,25)17-8-4-3-5-9-17/h1,3-6,8-9,15-16,18,20-21H,2,7,10-14H2,(H,22,23)/b6-1-/t15-,16?,18+,20?/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Shionogi & Co.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 298: 411-9 (2001)


BindingDB Entry DOI: 10.7270/Q2028Q3C
More data for this
Ligand-Target Pair
Prostanoid TP receptor


(Homo sapiens (Human))
BDBM50008805
PNG
(7-(3-Benzenesulfonylamino-bicyclo[2.2.1]hept-2-yl)...)
Show SMILES OC(=O)CCC\C=C/C[C@H]1[C@@H]2CCC(C2)C1NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C20H27NO4S/c22-19(23)11-7-2-1-6-10-18-15-12-13-16(14-15)20(18)21-26(24,25)17-8-4-3-5-9-17/h1,3-6,8-9,15-16,18,20-21H,2,7,10-14H2,(H,22,23)/b6-1-/t15-,16?,18+,20?/m1/s1
UniProtKB/SwissProt

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PC sid
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Article
n/an/an/a 2.90n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for binding affinity against platelet TXA2 receptor in washed human platelets using [125I]-BOP as radioligand


Bioorg Med Chem Lett 1: 173-178 (1991)


Article DOI: 10.1016/S0960-894X(01)80794-0
BindingDB Entry DOI: 10.7270/Q2RR1Z4S
More data for this
Ligand-Target Pair