Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM50567159
Substrate
n/a
Meas. Tech.
ChEMBL_2102447 (CHEMBL4810843)
EC50
0.100000±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:
BDBM50567159
Synonyms:
CHEMBL4874447
Type:
Small organic molecule
Emp. Form.:
C28H27FN2O6S
Mol. Mass.:
538.587
SMILES:
CCCCc1nc(=O)c(c(O)n1-c1c(OC)cccc1OC)S(=O)(=O)c1ccc(cc1)-c1ccc(F)cc1 |(29.35,-6.37,;30.68,-7.14,;32.02,-6.37,;33.35,-7.14,;34.69,-6.37,;34.69,-4.83,;36.02,-4.06,;36.01,-2.52,;37.35,-4.82,;37.36,-6.37,;38.69,-7.14,;36.02,-7.15,;36.02,-8.68,;37.35,-9.45,;38.68,-8.67,;40.02,-9.44,;37.36,-10.98,;36.02,-11.76,;34.68,-10.99,;34.69,-9.45,;33.35,-8.68,;32.02,-9.45,;38.68,-4.04,;37.9,-2.71,;39.45,-2.7,;40.02,-4.81,;40.02,-6.35,;41.35,-7.11,;42.69,-6.34,;42.68,-4.79,;41.34,-4.03,;44.02,-7.1,;44.03,-8.64,;45.36,-9.41,;46.69,-8.63,;48.03,-9.39,;46.68,-7.08,;45.34,-6.33,)|
Structure:
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