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BDBM50081442 CHEMBL90226::sulfonylurea analogue

SMILES: O=C(NCc1ccccc1)NS(=O)(=O)c1ccccc1-c1ccc(CN2c3ccccc3CCc3ccccc3C2=O)cc1

InChI Key: InChIKey=RSQUCGOTNBPZPO-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 = 50081442   
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 EP1 subtype (EP1)


(Homo sapiens (Human))
BDBM50081442
PNG
(CHEMBL90226 | sulfonylurea analogue)
Show SMILES O=C(NCc1ccccc1)NS(=O)(=O)c1ccccc1-c1ccc(CN2c3ccccc3CCc3ccccc3C2=O)cc1
Show InChI InChI=1S/C36H31N3O4S/c40-35-32-15-6-4-12-28(32)22-23-30-13-5-8-16-33(30)39(35)25-27-18-20-29(21-19-27)31-14-7-9-17-34(31)44(42,43)38-36(41)37-24-26-10-2-1-3-11-26/h1-21H,22-25H2,(H2,37,38,41)
KEGG

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PC cid
PC sid
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Similars

PubMed
200n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Affinity at human EP1 receptor.


Bioorg Med Chem Lett 9: 2699-704 (1999)


BindingDB Entry DOI: 10.7270/Q2HX1BV9
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor


(Homo sapiens (Human))
BDBM50081442
PNG
(CHEMBL90226 | sulfonylurea analogue)
Show SMILES O=C(NCc1ccccc1)NS(=O)(=O)c1ccccc1-c1ccc(CN2c3ccccc3CCc3ccccc3C2=O)cc1
Show InChI InChI=1S/C36H31N3O4S/c40-35-32-15-6-4-12-28(32)22-23-30-13-5-8-16-33(30)39(35)25-27-18-20-29(21-19-27)31-14-7-9-17-34(31)44(42,43)38-36(41)37-24-26-10-2-1-3-11-26/h1-21H,22-25H2,(H2,37,38,41)
PDB

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UniProtKB/SwissProt

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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

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Similars

PubMed
1.30E+4n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Affinity at human EP3 receptor.


Bioorg Med Chem Lett 9: 2699-704 (1999)


BindingDB Entry DOI: 10.7270/Q2HX1BV9
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50081442
PNG
(CHEMBL90226 | sulfonylurea analogue)
Show SMILES O=C(NCc1ccccc1)NS(=O)(=O)c1ccccc1-c1ccc(CN2c3ccccc3CCc3ccccc3C2=O)cc1
Show InChI InChI=1S/C36H31N3O4S/c40-35-32-15-6-4-12-28(32)22-23-30-13-5-8-16-33(30)39(35)25-27-18-20-29(21-19-27)31-14-7-9-17-34(31)44(42,43)38-36(41)37-24-26-10-2-1-3-11-26/h1-21H,22-25H2,(H2,37,38,41)
PDB

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KEGG

UniProtKB/SwissProt

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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

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PubMed
>1.00E+5n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Affinity at human EP4 receptor.


Bioorg Med Chem Lett 9: 2699-704 (1999)


BindingDB Entry DOI: 10.7270/Q2HX1BV9
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM50081442
PNG
(CHEMBL90226 | sulfonylurea analogue)
Show SMILES O=C(NCc1ccccc1)NS(=O)(=O)c1ccccc1-c1ccc(CN2c3ccccc3CCc3ccccc3C2=O)cc1
Show InChI InChI=1S/C36H31N3O4S/c40-35-32-15-6-4-12-28(32)22-23-30-13-5-8-16-33(30)39(35)25-27-18-20-29(21-19-27)31-14-7-9-17-34(31)44(42,43)38-36(41)37-24-26-10-2-1-3-11-26/h1-21H,22-25H2,(H2,37,38,41)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
>1.00E+5n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Affinity at human EP2 receptor.


Bioorg Med Chem Lett 9: 2699-704 (1999)


BindingDB Entry DOI: 10.7270/Q2HX1BV9
More data for this
Ligand-Target Pair