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BDBM50303673 CHEMBL567484::Thiophene-2-sulfonic acid{(E)-3-[1-(naphthalene-2-sulfonyl)-2,3-dihyd ro-1H-indol-7-yl]-acryloyl}-amide

SMILES: O=C(NS(=O)(=O)c1cccs1)\C=C\c1cccc2CCN(c12)S(=O)(=O)c1ccc2ccccc2c1

InChI Key: InChIKey=ZMMBWYWEVQMARK-ACCUITESSA-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 = 50303673   
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 E2 receptor


(Homo sapiens (Human))
BDBM50303673
PNG
(CHEMBL567484 | Thiophene-2-sulfonic acid{(E)-3-[1-...)
Show SMILES O=C(NS(=O)(=O)c1cccs1)\C=C\c1cccc2CCN(c12)S(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C25H20N2O5S3/c28-23(26-34(29,30)24-9-4-16-33-24)13-11-19-7-3-8-20-14-15-27(25(19)20)35(31,32)22-12-10-18-5-1-2-6-21(18)17-22/h1-13,16-17H,14-15H2,(H,26,28)/b13-11+
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 36n/an/an/an/an/an/a



deCODE Chemistry, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3 receptor after 1 hr by liquid scintillation counting


J Med Chem 53: 18-36 (2010)


Article DOI: 10.1021/jm9005912
BindingDB Entry DOI: 10.7270/Q2XP752H
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50303673
PNG
(CHEMBL567484 | Thiophene-2-sulfonic acid{(E)-3-[1-...)
Show SMILES O=C(NS(=O)(=O)c1cccs1)\C=C\c1cccc2CCN(c12)S(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C25H20N2O5S3/c28-23(26-34(29,30)24-9-4-16-33-24)13-11-19-7-3-8-20-14-15-27(25(19)20)35(31,32)22-12-10-18-5-1-2-6-21(18)17-22/h1-13,16-17H,14-15H2,(H,26,28)/b13-11+
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.55E+3n/an/an/an/an/an/a



deCODE Chemistry, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]PGE2 from human EP3 receptor after 1 hr by liquid scintillation counting in presence of 10% human serum


J Med Chem 53: 18-36 (2010)


Article DOI: 10.1021/jm9005912
BindingDB Entry DOI: 10.7270/Q2XP752H
More data for this
Ligand-Target Pair