Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM50571379
Substrate
n/a
Meas. Tech.
ChEMBL_2114591 (CHEMBL4823532)
EC50
703±n/a nM
Citation
 Narayanan, S; Wang, S; Vasukuttan, V; Vyas Devambatla, RK; Dai, D; Jin, C; Snyder, R; Laudermilk, L; Runyon, SP; Maitra, R Pyrazole Agonist of the Apelin Receptor Improves Symptoms of Metabolic Syndrome in Mice. J Med Chem 64:3006-3025 (2021) [PubMed]  Article 
Target
Name:
Apelin receptor
Synonyms:
AGTRL1 | APJ | APJ_HUMAN | APLNR | Angiotensin receptor-like 1 | Apelin receptor | Apelin receptor (APJ) | G-protein coupled receptor APJ | G-protein coupled receptor HG11
Type:
Enzyme Catalytic Domain
Mol. Mass.:
42664.06
Organism:
Homo sapiens (Human)
Description:
P35414
Residue:
380
Sequence:
MEEGGDFDNYYGADNQSECEYTDWKSSGALIPAIYMLVFLLGTTGNGLVLWTVFRSSREKRRSADIFIASLAVADLTFVVTLPLWATYTYRDYDWPFGTFFCKLSSYLIFVNMYASVFCLTGLSFDRYLAIVRPVANARLRLRVSGAVATAVLWVLAALLAMPVMVLRTTGDLENTTKVQCYMDYSMVATVSSEWAWEVGLGVSSTTVGFVVPFTIMLTCYFFIAQTIAGHFRKERIEGLRKRRRLLSIIVVLVVTFALCWMPYHLVKTLYMLGSLLHWPCDFDLFLMNIFPYCTCISYVNSCLNPFLYAFFDPRFRQACTSMLCCGQSRCAGTSHSSSGEKSASYSSGHSQGPGPNMGKGGEQMHEKSIPYSQETLVVD
  
Inhibitor
Name:
BDBM50571379
Synonyms:
CHEMBL4851385
Type:
Small organic molecule
Emp. Form.:
C26H37ClN4O6
Mol. Mass.:
537.048
SMILES:
Cl.COc1cccc(OC)c1-c1cc(nn1C1CCCC1)C(=O)N[C@@H](CCN1CCOCC1)CC(O)=O |r,wU:24.26,(68.03,-16.61,;58.51,-14.22,;59.66,-15.25,;59.34,-16.76,;57.88,-17.24,;57.56,-18.75,;58.71,-19.78,;60.17,-19.29,;61.32,-20.32,;61.01,-21.83,;60.49,-17.79,;61.94,-17.32,;62.41,-15.85,;63.95,-15.85,;64.43,-17.31,;63.19,-18.22,;63.19,-19.76,;61.95,-20.66,;62.42,-22.13,;63.96,-22.13,;64.44,-20.66,;64.86,-14.6,;64.23,-13.19,;66.39,-14.76,;67.29,-13.51,;66.66,-12.11,;67.57,-10.86,;66.94,-9.45,;67.85,-8.2,;67.23,-6.8,;65.7,-6.64,;64.79,-7.88,;65.41,-9.3,;68.82,-13.67,;69.73,-12.42,;71.26,-12.58,;69.1,-11.02,)|
Structure:
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