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BDBM50117685 2-(4'-Phenethylsulfanylmethyl-biphenyl-2-yl)-ethanesulfonic acid (thiophene-2-carbonyl)-amide::CHEMBL313700

SMILES: O=C(NS(=O)(=O)CCc1ccccc1-c1ccc(CSCCc2ccccc2)cc1)c1cccs1

InChI Key: InChIKey=YHFDLIAMXJUKHP-UHFFFAOYSA-N

Data: 4 KI

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 4 hits for monomerid = 50117685   
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))
BDBM50117685
PNG
(2-(4'-Phenethylsulfanylmethyl-biphenyl-2-yl)-ethan...)
Show SMILES O=C(NS(=O)(=O)CCc1ccccc1-c1ccc(CSCCc2ccccc2)cc1)c1cccs1
Show InChI InChI=1S/C28H27NO3S3/c30-28(27-11-6-18-34-27)29-35(31,32)20-17-24-9-4-5-10-26(24)25-14-12-23(13-15-25)21-33-19-16-22-7-2-1-3-8-22/h1-15,18H,16-17,19-21H2,(H,29,30)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
480n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity at human Prostanoid EP3 receptor.


Bioorg Med Chem Lett 12: 2583-6 (2002)


BindingDB Entry DOI: 10.7270/Q2QN663S
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50117685
PNG
(2-(4'-Phenethylsulfanylmethyl-biphenyl-2-yl)-ethan...)
Show SMILES O=C(NS(=O)(=O)CCc1ccccc1-c1ccc(CSCCc2ccccc2)cc1)c1cccs1
Show InChI InChI=1S/C28H27NO3S3/c30-28(27-11-6-18-34-27)29-35(31,32)20-17-24-9-4-5-10-26(24)25-14-12-23(13-15-25)21-33-19-16-22-7-2-1-3-8-22/h1-15,18H,16-17,19-21H2,(H,29,30)
PDB

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UniProtKB/SwissProt

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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
PubMed
690n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity at human Prostanoid EP4 receptor.


Bioorg Med Chem Lett 12: 2583-6 (2002)


BindingDB Entry DOI: 10.7270/Q2QN663S
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM50117685
PNG
(2-(4'-Phenethylsulfanylmethyl-biphenyl-2-yl)-ethan...)
Show SMILES O=C(NS(=O)(=O)CCc1ccccc1-c1ccc(CSCCc2ccccc2)cc1)c1cccs1
Show InChI InChI=1S/C28H27NO3S3/c30-28(27-11-6-18-34-27)29-35(31,32)20-17-24-9-4-5-10-26(24)25-14-12-23(13-15-25)21-33-19-16-22-7-2-1-3-8-22/h1-15,18H,16-17,19-21H2,(H,29,30)
PDB

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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
PubMed
2.50E+3n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity at human Prostanoid EP2 receptor.


Bioorg Med Chem Lett 12: 2583-6 (2002)


BindingDB Entry DOI: 10.7270/Q2QN663S
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype (EP1)


(Homo sapiens (Human))
BDBM50117685
PNG
(2-(4'-Phenethylsulfanylmethyl-biphenyl-2-yl)-ethan...)
Show SMILES O=C(NS(=O)(=O)CCc1ccccc1-c1ccc(CSCCc2ccccc2)cc1)c1cccs1
Show InChI InChI=1S/C28H27NO3S3/c30-28(27-11-6-18-34-27)29-35(31,32)20-17-24-9-4-5-10-26(24)25-14-12-23(13-15-25)21-33-19-16-22-7-2-1-3-8-22/h1-15,18H,16-17,19-21H2,(H,29,30)
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
2.80E+3n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity at human Prostanoid EP1 receptor.


Bioorg Med Chem Lett 12: 2583-6 (2002)


BindingDB Entry DOI: 10.7270/Q2QN663S
More data for this
Ligand-Target Pair