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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Prostaglandin E2 receptor EP4 subtype' and Ligand = 'BDBM238326'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM238326
PNG
(US9394273, 15)
Show SMILES OC(Cc1ccc2ccsc2c1)\C=C\[C@H]1CCC(=O)[C@@H]1CCc1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C26H26O4S/c27-22(15-18-3-5-20-13-14-31-25(20)16-18)10-8-19-9-12-24(28)23(19)11-4-17-1-6-21(7-2-17)26(29)30/h1-3,5-8,10,13-14,16,19,22-23,27H,4,9,11-12,15H2,(H,29,30)/b10-8+/t19-,22?,23+/m0/s1
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PC cid
PC sid
UniChem
US Patent
41n/an/an/an/an/an/an/an/a



ALLERGAN, INC.

US Patent


Assay Description
The cell homogenate was centrifuged at 19000 r.p.m. for 20 min at 4° C. using a Beckman Ti-60 rotor. The resultant pellet was resuspended in TME buf...


US Patent US9394273 (2016)


BindingDB Entry DOI: 10.7270/Q2SJ1JGJ
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM238326
PNG
(US9394273, 15)
Show SMILES OC(Cc1ccc2ccsc2c1)\C=C\[C@H]1CCC(=O)[C@@H]1CCc1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C26H26O4S/c27-22(15-18-3-5-20-13-14-31-25(20)16-18)10-8-19-9-12-24(28)23(19)11-4-17-1-6-21(7-2-17)26(29)30/h1-3,5-8,10,13-14,16,19,22-23,27H,4,9,11-12,15H2,(H,29,30)/b10-8+/t19-,22?,23+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 0.5n/an/a7.425



ALLERGAN, INC.

US Patent


Assay Description
A 384-well drug plate was prepared to contain test compounds, PGE2 and cAMP in 16 serial dilutions in triplicate, using a Biomek station. HEK-EBNA ce...


US Patent US9394273 (2016)


BindingDB Entry DOI: 10.7270/Q2SJ1JGJ
More data for this
Ligand-Target Pair