Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM50567168
Substrate
n/a
Meas. Tech.
ChEMBL_2102447 (CHEMBL4810843)
EC50
0.030000±n/a nM
Citation
 Tora, G; Jiang, J; Bostwick, JS; Gargalovic, PS; Onorato, JM; Luk, CE; Generaux, C; Xu, C; Galella, MA; Wang, T; He, Y; Wexler, RR; Finlay, HJ Identification of 6-hydroxy-5-phenyl sulfonylpyrimidin-4(1H)-one APJ receptor agonists. Bioorg Med Chem Lett 50:0 (2021) [PubMed]  Article 
Target
Name:
Apelin receptor
Synonyms:
APJ_MOUSE | Agtrl1 | Angiotensin receptor-like 1 | Apj | Aplnr | G-protein coupled receptor APJ | MSR
Type:
PROTEIN
Mol. Mass.:
42269.53
Organism:
Mus musculus
Description:
ChEMBL_120488
Residue:
377
Sequence:
MEDDGYNYYGADNQSECDYADWKPSGALIPAIYMLVFLLGTTGNGLVLWTVFRTSREKRRSADIFIASLAVADLTFVVTLPLWATYTYREFDWPFGTFSCKLSSYLIFVNMYASVFCLTGLSFDRYLAIVRPVANARLRLRVSGAVATAVLWVLAALLAVPVMVFRSTDASENGTKIQCYMDYSMVATSNSEWAWEVGLGVSSTAVGFVVPFTIMLTCYFFIAQTIAGHFRKERIEGLRKRRRLLSIIVVLVVTFALCWMPYHLVKTLYMLGSLLHWPCDFDIFLMNVFPYCTCISYVNSCLNPFLYAFFDPRFRQACTSMLCCDQSGCKGTPHSSSAEKSASYSSGHSQGPGPNMGKGGEQMHEKSIPYSQETLVD
  
Inhibitor
Name:
BDBM50567168
Synonyms:
CHEMBL4864542
Type:
Small organic molecule
Emp. Form.:
C25H28N2O6S
Mol. Mass.:
484.565
SMILES:
CCCCc1nc(=O)c(c(O)n1-c1c(OC)cccc1OC)S(=O)(=O)c1ccc(cc1)C1CC1 |(40.9,-21.23,;42.23,-22,;43.57,-21.24,;44.9,-22,;46.23,-21.24,;46.24,-19.69,;47.56,-18.92,;47.56,-17.38,;48.9,-19.69,;48.91,-21.24,;50.24,-22,;47.57,-22.01,;47.57,-23.54,;48.9,-24.31,;50.23,-23.54,;51.57,-24.3,;48.91,-25.85,;47.57,-26.62,;46.23,-25.85,;46.23,-24.31,;44.9,-23.54,;43.57,-24.31,;50.23,-18.91,;49.45,-17.57,;51,-17.57,;51.57,-19.68,;51.57,-21.21,;52.9,-21.98,;54.23,-21.2,;54.22,-19.65,;52.89,-18.9,;55.57,-21.96,;56.35,-23.29,;57.11,-21.96,)|
Structure:
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