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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 = 'BDBM261844'   
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))
BDBM261844
PNG
(2-(9-Ethyl-9H-carbazol-3-y1)-1-methyl-1 H-benzimid...)
Show SMILES CCn1c2ccccc2c2cc(ccc12)-c1nc2cc(ccc2n1C)C(O)=O
Show InChI InChI=1S/C23H19N3O2/c1-3-26-19-7-5-4-6-16(19)17-12-14(8-10-20(17)26)22-24-18-13-15(23(27)28)9-11-21(18)25(22)2/h4-13H,3H2,1-2H3,(H,27,28)
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PC cid
PC sid
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Article
PubMed
n/an/a 166n/an/an/an/an/an/a



Bayer AG

Curated by ChEMBL


Assay Description
Antagonist activity at human EP4R assessed as inhibition of agonist-induced cAMP production by fluorescent cAMP tracer cAMP-d2 based FRET assay


J Med Chem 62: 2541-2563 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01862
BindingDB Entry DOI: 10.7270/Q25H7KSB
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM261844
PNG
(2-(9-Ethyl-9H-carbazol-3-y1)-1-methyl-1 H-benzimid...)
Show SMILES CCn1c2ccccc2c2cc(ccc12)-c1nc2cc(ccc2n1C)C(O)=O
Show InChI InChI=1S/C23H19N3O2/c1-3-26-19-7-5-4-6-16(19)17-12-14(8-10-20(17)26)22-24-18-13-15(23(27)28)9-11-21(18)25(22)2/h4-13H,3H2,1-2H3,(H,27,28)
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US Patent
n/an/a 195n/an/an/an/an/a25



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
4 μl of a cAMP-d2/cell suspension (625000 cells/ml) were added to a test plate containing the substance solutions already initially introduced (...


US Patent US9708311 (2017)


BindingDB Entry DOI: 10.7270/Q23F4RPM
More data for this
Ligand-Target Pair