BindingDB logo
myBDB logout

BDBM50128769 7-{2-[(5-Methanesulfonylamino-benzo[b]thiophene-3-carbonyl)-amino]-6,6-dimethyl-bicyclo[3.1.1]hept-3-yl}-hept-5-enoic acid::CHEMBL312216

SMILES: CC1(C)[C@@H]2C[C@H]1[C@H](NC(=O)c1csc3ccc(NS(C)(=O)=O)cc13)[C@@H](C\C=C\CCCC(O)=O)C2

InChI Key: InChIKey=JWNVBKCNMZXNOF-NWGYZYEYSA-N

Data: 2 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 2 hits for monomerid = 50128769   
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))
BDBM50128769
PNG
(7-{2-[(5-Methanesulfonylamino-benzo[b]thiophene-3-...)
Show SMILES CC1(C)[C@@H]2C[C@H]1[C@H](NC(=O)c1csc3ccc(NS(C)(=O)=O)cc13)[C@@H](C\C=C\CCCC(O)=O)C2
Show InChI InChI=1S/C26H34N2O5S2/c1-26(2)17-12-16(8-6-4-5-7-9-23(29)30)24(21(26)13-17)27-25(31)20-15-34-22-11-10-18(14-19(20)22)28-35(3,32)33/h4,6,10-11,14-17,21,24,28H,5,7-9,12-13H2,1-3H3,(H,27,31)(H,29,30)/b6-4+/t16-,17-,21-,24+/m0/s1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 30n/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Concentration required to inhibit the PGD-2 evoked cAMP formation in human platelets


J Med Chem 46: 2446-55 (2003)


Article DOI: 10.1021/jm0205189
BindingDB Entry DOI: 10.7270/Q2WD3ZZ3
More data for this
Ligand-Target Pair
Prostanoid DP receptor


(Homo sapiens (Human))
BDBM50128769
PNG
(7-{2-[(5-Methanesulfonylamino-benzo[b]thiophene-3-...)
Show SMILES CC1(C)[C@@H]2C[C@H]1[C@H](NC(=O)c1csc3ccc(NS(C)(=O)=O)cc13)[C@@H](C\C=C\CCCC(O)=O)C2
Show InChI InChI=1S/C26H34N2O5S2/c1-26(2)17-12-16(8-6-4-5-7-9-23(29)30)24(21(26)13-17)27-25(31)20-15-34-22-11-10-18(14-19(20)22)28-35(3,32)33/h4,6,10-11,14-17,21,24,28H,5,7-9,12-13H2,1-3H3,(H,27,31)(H,29,30)/b6-4+/t16-,17-,21-,24+/m0/s1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.50E+3n/an/an/an/an/an/a



Shionogi & Co., Ltd

Curated by ChEMBL


Assay Description
Prostaglandin D2 receptor antagonist activity, evaluated by inhibition of [3H]-PGD-2 binding to human platelet membranes


J Med Chem 46: 2446-55 (2003)


Article DOI: 10.1021/jm0205189
BindingDB Entry DOI: 10.7270/Q2WD3ZZ3
More data for this
Ligand-Target Pair