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BDBM50333725 3-(4-(2-(3-(4-chlorophenylsulfonyl)ureido)ethyl)phenyl)-N,N,5,7-tetramethylbenzo[b]thiophene-2-carboxamide::CHEMBL1644004

SMILES: CN(C)C(=O)c1sc2c(C)cc(C)cc2c1-c1ccc(CCNC(=O)NS(=O)(=O)c2ccc(Cl)cc2)cc1

InChI Key: InChIKey=YZAQXCXJBZNAJC-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50333725   
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 EP4 subtype


(Homo sapiens (Human))
BDBM50333725
PNG
(3-(4-(2-(3-(4-chlorophenylsulfonyl)ureido)ethyl)ph...)
Show SMILES CN(C)C(=O)c1sc2c(C)cc(C)cc2c1-c1ccc(CCNC(=O)NS(=O)(=O)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C28H28ClN3O4S2/c1-17-15-18(2)25-23(16-17)24(26(37-25)27(33)32(3)4)20-7-5-19(6-8-20)13-14-30-28(34)31-38(35,36)22-11-9-21(29)10-12-22/h5-12,15-16H,13-14H2,1-4H3,(H2,30,31,34)
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PC cid
PC sid
UniChem
Article
PubMed
0.400n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity to EP4 receptor


Bioorg Med Chem Lett 21: 734-7 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.118
BindingDB Entry DOI: 10.7270/Q22N52JP
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50333725
PNG
(3-(4-(2-(3-(4-chlorophenylsulfonyl)ureido)ethyl)ph...)
Show SMILES CN(C)C(=O)c1sc2c(C)cc(C)cc2c1-c1ccc(CCNC(=O)NS(=O)(=O)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C28H28ClN3O4S2/c1-17-15-18(2)25-23(16-17)24(26(37-25)27(33)32(3)4)20-7-5-19(6-8-20)13-14-30-28(34)31-38(35,36)22-11-9-21(29)10-12-22/h5-12,15-16H,13-14H2,1-4H3,(H2,30,31,34)
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2.20n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Binding affinity to EP4 receptor in presence of 10% HSA


Bioorg Med Chem Lett 21: 734-7 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.118
BindingDB Entry DOI: 10.7270/Q22N52JP
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM50333725
PNG
(3-(4-(2-(3-(4-chlorophenylsulfonyl)ureido)ethyl)ph...)
Show SMILES CN(C)C(=O)c1sc2c(C)cc(C)cc2c1-c1ccc(CCNC(=O)NS(=O)(=O)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C28H28ClN3O4S2/c1-17-15-18(2)25-23(16-17)24(26(37-25)27(33)32(3)4)20-7-5-19(6-8-20)13-14-30-28(34)31-38(35,36)22-11-9-21(29)10-12-22/h5-12,15-16H,13-14H2,1-4H3,(H2,30,31,34)
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5.5n/an/an/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Ratio of Ki for EP4 receptor to EP4 receptor in presence of 10% HSA


Bioorg Med Chem Lett 21: 734-7 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.118
BindingDB Entry DOI: 10.7270/Q22N52JP
More data for this
Ligand-Target Pair