Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM50554000
Substrate
n/a
Meas. Tech.
ChEMBL_2048305 (CHEMBL4703004)
IC50
1.9±n/a nM
Citation
 Fischer, C; Lamer, T; Fernandez, K; Gheblawi, M; Wang, W; Pascoe, C; Lambkin, G; Iturrioz, X; Llorens-Cortes, C; Oudit, GY; Vederas, JC Optimizing PEG-Extended Apelin Analogues as Cardioprotective Drug Leads: Importance of the KFRR Motif and Aromatic Head Group for Improved Physiological Activity. J Med Chem 63:12073-12082 (2020) [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:
BDBM50554000
Synonyms:
CHEMBL4799454
Type:
Small organic molecule
Emp. Form.:
C122H198BrN35O30
Mol. Mass.:
2714.998
SMILES:
CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)CCOCCOCCOCCOCCOCCOCCOCCNC(=O)OCc1ccccc1)C(=O)NC(C)(C)C(=O)N[C@@H](Cc1ccc(Br)cc1)C(O)=O |r|
Structure:
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