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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 = 'BDBM261783'   
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))
BDBM261783
PNG
(1-(Cyclopropylmethyl)-2-(9-methyl-9H-carbazol-3-yl...)
Show SMILES Cn1c2ccccc2c2cc(ccc12)-c1nc2cc(ccc2n1CC1CC1)C(O)=O
Show InChI InChI=1S/C25H21N3O2/c1-27-21-5-3-2-4-18(21)19-12-16(8-10-22(19)27)24-26-20-13-17(25(29)30)9-11-23(20)28(24)14-15-6-7-15/h2-5,8-13,15H,6-7,14H2,1H3,(H,29,30)
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 34n/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))
BDBM261783
PNG
(1-(Cyclopropylmethyl)-2-(9-methyl-9H-carbazol-3-yl...)
Show SMILES Cn1c2ccccc2c2cc(ccc12)-c1nc2cc(ccc2n1CC1CC1)C(O)=O
Show InChI InChI=1S/C25H21N3O2/c1-27-21-5-3-2-4-18(21)19-12-16(8-10-22(19)27)24-26-20-13-17(25(29)30)9-11-23(20)28(24)14-15-6-7-15/h2-5,8-13,15H,6-7,14H2,1H3,(H,29,30)
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PC sid
UniChem
US Patent
n/an/a 39.4n/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