Reaction Details Report a problem with these data
Target
Prostaglandin E2 receptor EP4 subtype
Ligand
BDBM50520072
Substrate
n/a
Meas. Tech.
ChEMBL_1879035 (CHEMBL4380429)
IC50
14±n/a nM
Citation
 Yang, JJ; Yu, WW; Hu, LL; Liu, WJ; Lin, XH; Wang, W; Zhang, Q; Wang, PL; Tang, SW; Wang, X; Liu, M; Lu, W; Zhang, HK Discovery and Characterization of 1 J Med Chem 63:569-590 (2020) [PubMed]  Article 
Target
Name:
Prostaglandin E2 receptor EP4 subtype
Synonyms:
PE2R4_HUMAN | PGE receptor EP4 subtype | PGE2 receptor EP4 subtype | PTGER2 | PTGER4 | Prostaglandin E2 receptor | Prostanoid EP4 receptor
Type:
Enzyme
Mol. Mass.:
53134.53
Organism:
Homo sapiens (Human)
Description:
P35408
Residue:
488
Sequence:
MSTPGVNSSASLSPDRLNSPVTIPAVMFIFGVVGNLVAIVVLCKSRKEQKETTFYTLVCGLAVTDLLGTLLVSPVTIATYMKGQWPGGQPLCEYSTFILLFFSLSGLSIICAMSVERYLAINHAYFYSHYVDKRLAGLTLFAVYASNVLFCALPNMGLGSSRLQYPDTWCFIDWTTNVTAHAAYSYMYAGFSSFLILATVLCNVLVCGALLRMHRQFMRRTSLGTEQHHAAAAASVASRGHPAASPALPRLSDFRRRRSFRRIAGAEIQMVILLIATSLVVLICSIPLVVRVFVNQLYQPSLEREVSKNPDLQAIRIASVNPILDPWIYILLRKTVLSKAIEKIKCLFCRIGGSRRERSGQHCSDSQRTSSAMSGHSRSFISRELKEISSTSQTLLPDLSLPDLSENGLGGRNLLPGVPGMGLAQEDTTSLRTLRISETSDSSQGQDSESVLLVDEAGGSGRAGPAPKGSSLQVTFPSETLNLSEKCI
  
Inhibitor
Name:
BDBM50520072
Synonyms:
CHEMBL4550862
Type:
Small organic molecule
Emp. Form.:
C22H25F3N4O3
Mol. Mass.:
450.4541
SMILES:
C\C=C\c1nnn(Cc2ccc(cc2)C(F)(F)F)c1C(=O)NCC1CCC(CC1)C(O)=O |(8.5,-22.36,;8.83,-23.87,;10.29,-24.35,;10.61,-25.86,;9.58,-27,;10.36,-28.33,;11.86,-28.01,;13,-29.04,;12.69,-30.55,;11.22,-31.02,;10.91,-32.52,;12.06,-33.55,;13.53,-33.06,;13.84,-31.56,;11.74,-35.06,;10.28,-35.54,;12.89,-36.08,;11.33,-36.54,;12.02,-26.48,;13.35,-25.7,;13.35,-24.16,;14.69,-26.48,;16.01,-25.7,;17.35,-26.47,;17.35,-28.02,;18.68,-28.79,;20.02,-28.02,;20.01,-26.47,;18.68,-25.7,;21.36,-28.78,;22.69,-28.01,;21.36,-30.33,)|
Structure:
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