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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Prostaglandin E2 receptor EP4 subtype' and Ligand = 'BDBM179834'   
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))
BDBM179834
PNG
(US9676712, 2C)
Show SMILES CC(CCCc1ccccc1)[C@@H](O)\C=C\[C@H]1CCC(=O)N1CCCCCCC(O)=O |r|
Show InChI InChI=1S/C25H37NO4/c1-20(10-9-13-21-11-5-4-6-12-21)23(27)17-15-22-16-18-24(28)26(22)19-8-3-2-7-14-25(29)30/h4-6,11-12,15,17,20,22-23,27H,2-3,7-10,13-14,16,18-19H2,1H3,(H,29,30)/b17-15+/t20?,22-,23-/m0/s1
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US Patent
2.10n/a 5.70n/an/an/an/a6.0n/a



CAYMAN CHEMICAL COMPANY, INC.

US Patent


Assay Description
200 μl in 96-well plate. Cell membrane homogenates (20 μg protein) are incubated for 120 min at 22° C. with 0.5 nM [3H]PGE2 in the absence ...


US Patent US9676712 (2017)


BindingDB Entry DOI: 10.7270/Q23X84T9
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM179834
PNG
(US9676712, 2C)
Show SMILES CC(CCCc1ccccc1)[C@@H](O)\C=C\[C@H]1CCC(=O)N1CCCCCCC(O)=O |r|
Show InChI InChI=1S/C25H37NO4/c1-20(10-9-13-21-11-5-4-6-12-21)23(27)17-15-22-16-18-24(28)26(22)19-8-3-2-7-14-25(29)30/h4-6,11-12,15,17,20,22-23,27H,2-3,7-10,13-14,16,18-19H2,1H3,(H,29,30)/b17-15+/t20?,22-,23-/m0/s1
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US Patent
n/an/an/an/a 0.00100n/an/an/an/a



CAYMAN CHEMICAL COMPANY, INC.

US Patent


Assay Description
1. Seed cells on an EP2 or EP4 STEP plate at a density of 40,000-80,000 cells/well in 200 μl of reduced serum medium containing 0.5% FBS. Place ...


US Patent US9676712 (2017)


BindingDB Entry DOI: 10.7270/Q23X84T9
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM179834
PNG
(US9676712, 2C)
Show SMILES CC(CCCc1ccccc1)[C@@H](O)\C=C\[C@H]1CCC(=O)N1CCCCCCC(O)=O |r|
Show InChI InChI=1S/C25H37NO4/c1-20(10-9-13-21-11-5-4-6-12-21)23(27)17-15-22-16-18-24(28)26(22)19-8-3-2-7-14-25(29)30/h4-6,11-12,15,17,20,22-23,27H,2-3,7-10,13-14,16,18-19H2,1H3,(H,29,30)/b17-15+/t20?,22-,23-/m0/s1
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PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 0.00700n/an/an/a25



CAYMAN CHEMICAL COMPANY, INC.

US Patent


Assay Description
1. Seed cells on an EP2 or EP4 STEP plate at a density of 40,000-80,000 cells/well in 200 μL of reduced serum medium containing 0.5% FBE. Place ...


US Patent US9676712 (2017)


BindingDB Entry DOI: 10.7270/Q23X84T9
More data for this
Ligand-Target Pair