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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 = 'BDBM202460'   
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))
BDBM202460
PNG
(US9540357, example 32 | US9540357, example 33)
Show SMILES Cc1cc(Cl)ccc1-c1ccc(s1)C(O)\C=C\[C@H]1CCC(=O)N1CCCc1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C28H28ClNO4S/c1-18-17-21(29)8-11-23(18)25-13-14-26(35-25)24(31)12-9-22-10-15-27(32)30(22)16-2-3-19-4-6-20(7-5-19)28(33)34/h4-9,11-14,17,22,24,31H,2-3,10,15-16H2,1H3,(H,33,34)/b12-9+/t22-,24?/m0/s1
PDB

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UniProtKB/SwissProt

DrugBank
antibodypedia
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PC cid
PC sid
UniChem
US Patent
536 -35.8n/an/an/an/an/a7.425



Allergan, Inc.

US Patent


Assay Description
A 384-well drug plate was prepared to contain 6 test compounds, PGE2 and cAMP in 16 serial dilutions in triplicate, using a Biomek station. HEK-EBNA ...


US Patent US9540357 (2017)


BindingDB Entry DOI: 10.7270/Q24M92QQ
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM202460
PNG
(US9540357, example 32 | US9540357, example 33)
Show SMILES Cc1cc(Cl)ccc1-c1ccc(s1)C(O)\C=C\[C@H]1CCC(=O)N1CCCc1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C28H28ClNO4S/c1-18-17-21(29)8-11-23(18)25-13-14-26(35-25)24(31)12-9-22-10-15-27(32)30(22)16-2-3-19-4-6-20(7-5-19)28(33)34/h4-9,11-14,17,22,24,31H,2-3,10,15-16H2,1H3,(H,33,34)/b12-9+/t22-,24?/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
4.83E+3 -30.3n/an/an/an/an/a7.425



Allergan, Inc.

US Patent


Assay Description
A 384-well drug plate was prepared to contain 6 test compounds, PGE2 and cAMP in 16 serial dilutions in triplicate, using a Biomek station. HEK-EBNA ...


US Patent US9540357 (2017)


BindingDB Entry DOI: 10.7270/Q24M92QQ
More data for this
Ligand-Target Pair