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BDBM50117684 (4'-(3-[3-methylphenyl]-propoxy)-1,1'-biphenyl-2-yl)methyl thien-2-ylsulfonylcarbamate::CHEMBL87816

SMILES: Cc1cccc(OCCCOc2ccc(cc2)-c2ccccc2COC(=O)NS(=O)(=O)c2cccs2)c1

InChI Key: InChIKey=HQJKOUHLKGSJOE-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 = 50117684   
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))
BDBM50117684
PNG
((4'-(3-[3-methylphenyl]-propoxy)-1,1'-biphenyl-2-y...)
Show SMILES Cc1cccc(OCCCOc2ccc(cc2)-c2ccccc2COC(=O)NS(=O)(=O)c2cccs2)c1
Show InChI InChI=1S/C28H27NO6S2/c1-21-7-4-9-25(19-21)34-17-6-16-33-24-14-12-22(13-15-24)26-10-3-2-8-23(26)20-35-28(30)29-37(31,32)27-11-5-18-36-27/h2-5,7-15,18-19H,6,16-17,20H2,1H3,(H,29,30)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
120n/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))
BDBM50117684
PNG
((4'-(3-[3-methylphenyl]-propoxy)-1,1'-biphenyl-2-y...)
Show SMILES Cc1cccc(OCCCOc2ccc(cc2)-c2ccccc2COC(=O)NS(=O)(=O)c2cccs2)c1
Show InChI InChI=1S/C28H27NO6S2/c1-21-7-4-9-25(19-21)34-17-6-16-33-24-14-12-22(13-15-24)26-10-3-2-8-23(26)20-35-28(30)29-37(31,32)27-11-5-18-36-27/h2-5,7-15,18-19H,6,16-17,20H2,1H3,(H,29,30)
PDB

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antibodypedia
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PC cid
PC sid
UniChem
PubMed
730n/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))
BDBM50117684
PNG
((4'-(3-[3-methylphenyl]-propoxy)-1,1'-biphenyl-2-y...)
Show SMILES Cc1cccc(OCCCOc2ccc(cc2)-c2ccccc2COC(=O)NS(=O)(=O)c2cccs2)c1
Show InChI InChI=1S/C28H27NO6S2/c1-21-7-4-9-25(19-21)34-17-6-16-33-24-14-12-22(13-15-24)26-10-3-2-8-23(26)20-35-28(30)29-37(31,32)27-11-5-18-36-27/h2-5,7-15,18-19H,6,16-17,20H2,1H3,(H,29,30)
PDB

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UniChem
PubMed
2.10E+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))
BDBM50117684
PNG
((4'-(3-[3-methylphenyl]-propoxy)-1,1'-biphenyl-2-y...)
Show SMILES Cc1cccc(OCCCOc2ccc(cc2)-c2ccccc2COC(=O)NS(=O)(=O)c2cccs2)c1
Show InChI InChI=1S/C28H27NO6S2/c1-21-7-4-9-25(19-21)34-17-6-16-33-24-14-12-22(13-15-24)26-10-3-2-8-23(26)20-35-28(30)29-37(31,32)27-11-5-18-36-27/h2-5,7-15,18-19H,6,16-17,20H2,1H3,(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