Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM50506018
Substrate
n/a
Meas. Tech.
ChEMBL_1824656 (CHEMBL4324420)
EC50
0.120000±n/a nM
Citation
 Su, S; Clarke, A; Han, Y; Chao, HJ; Bostwick, J; Schumacher, W; Wang, T; Yan, M; Hsu, MY; Simmons, E; Luk, C; Xu, C; Dabros, M; Galella, M; Onorato, J; Gordon, D; Wexler, R; Gargalovic, PS; Lawrence, RM Biphenyl Acid Derivatives as APJ Receptor Agonists. J Med Chem 62:10456-10465 (2019) [PubMed]  Article 
Target
Name:
Apelin receptor
Synonyms:
APJ_RAT | Agtrl1 | Angiotensin receptor-like 1 | Apelin receptor | Apj | Aplnr | B78 | G-protein coupled receptor APJ | GPCR34
Type:
PROTEIN
Mol. Mass.:
42351.61
Organism:
Rattus norvegicus
Description:
ChEMBL_10710
Residue:
377
Sequence:
MEDDGYNYYGADNQSECDYADWTPSGALIPAIYILVFLLGTTGNGLVLWTVFWSSREKRRSADIFIASLAVADLTFVVTLPLWATYTYREFDWPFGTFSCKLSSYLIFVNMYASVFCLTGLSFDRYLAIVRPVANARLRLRVSGAVATAVLWVLAALLAVPVMVFRSTDIPENSTKTQCYMDYSMVATSNSEWAWEVGLGVSSTAVGFVVPFIIMLTCYFFIAQTIAGHFRKERIEGLRKRRRLLSIIVVLVVTFALCWMPYHLVKTLYMLGNLLHWPCDFDSFLMNVFPYCTCISYVNSCLNPFLYAFFDPRFRRACTSMLCCDQSGCKGSPHSSSAEKSASYSSGHSQGPGPNMCKGGEPMHEKSIPYSQETLVD
  
Inhibitor
Name:
BDBM50506018
Synonyms:
CHEMBL4435973
Type:
Small organic molecule
Emp. Form.:
C31H26ClN3O3
Mol. Mass.:
524.009
SMILES:
CCC[C@@H](NC(=O)c1ccc(c(c1)C(O)=O)-c1c(Cl)cccc1-c1nc2ccccc2[nH]1)c1ccccc1 |r,wD:3.35,(4.31,-6.81,;5.64,-6.04,;6.98,-6.81,;8.31,-6.04,;9.65,-6.8,;10.98,-6.03,;10.98,-4.49,;12.32,-6.8,;12.33,-8.35,;13.66,-9.12,;14.99,-8.34,;14.99,-6.8,;13.66,-6.03,;16.32,-6.03,;16.32,-4.49,;17.66,-6.8,;16.31,-9.12,;17.65,-8.34,;18.41,-6.99,;18.98,-9.11,;18.99,-10.66,;17.65,-11.43,;16.31,-10.66,;14.98,-11.43,;13.58,-10.81,;12.55,-11.95,;11.01,-11.95,;10.24,-13.27,;11.01,-14.61,;12.55,-14.61,;13.31,-13.28,;14.82,-12.96,;8.31,-4.5,;9.64,-3.73,;9.64,-2.19,;8.3,-1.42,;6.97,-2.2,;6.97,-3.74,)|
Structure:
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