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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 = 'BDBM261894'   
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))
BDBM261894
PNG
(2-(8-Chloro-9-ethyl-9H-carbazol-3-yl)-1-(2-methoxy...)
Show SMILES CCn1c2ccc(cc2c2cccc(Cl)c12)-c1nc2c(C)c(ccc2n1CCOC)C(O)=O
Show InChI InChI=1S/C26H24ClN3O3/c1-4-29-21-10-8-16(14-19(21)18-6-5-7-20(27)24(18)29)25-28-23-15(2)17(26(31)32)9-11-22(23)30(25)12-13-33-3/h5-11,14H,4,12-13H2,1-3H3,(H,31,32)
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PC cid
PC sid
UniChem
US Patent
n/an/a 5.19n/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
Prostaglandin E2 receptor EP4 subtype


(Homo sapiens (Human))
BDBM261894
PNG
(2-(8-Chloro-9-ethyl-9H-carbazol-3-yl)-1-(2-methoxy...)
Show SMILES CCn1c2ccc(cc2c2cccc(Cl)c12)-c1nc2c(C)c(ccc2n1CCOC)C(O)=O
Show InChI InChI=1S/C26H24ClN3O3/c1-4-29-21-10-8-16(14-19(21)18-6-5-7-20(27)24(18)29)25-28-23-15(2)17(26(31)32)9-11-22(23)30(25)12-13-33-3/h5-11,14H,4,12-13H2,1-3H3,(H,31,32)
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Article
PubMed
n/an/a 5.20n/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