Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM50571396
Substrate
n/a
Meas. Tech.
ChEMBL_2114591 (CHEMBL4823532)
EC50
5000±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:
BDBM50571396
Synonyms:
CHEMBL4865583
Type:
Small organic molecule
Emp. Form.:
C31H45N5O4
Mol. Mass.:
551.7201
SMILES:
COc1cccc(OC)c1-c1cc(nn1C1CCCC1)C(=O)N[C@@H](CCN1CCCCC1)CC(=O)NC1(C)CC1 |r,wU:23.26,(70.8,-9.5,;71.95,-10.53,;71.63,-12.03,;70.17,-12.51,;69.85,-14.02,;71,-15.05,;72.46,-14.57,;73.61,-15.59,;73.3,-17.1,;72.77,-13.06,;74.23,-12.59,;74.7,-11.12,;76.24,-11.12,;76.72,-12.58,;75.48,-13.49,;75.48,-15.03,;74.24,-15.94,;74.71,-17.4,;76.25,-17.4,;76.73,-15.94,;77.15,-9.87,;76.52,-8.47,;78.68,-10.03,;79.58,-8.78,;78.95,-7.38,;79.86,-6.13,;79.23,-4.72,;80.14,-3.48,;79.52,-2.07,;77.99,-1.91,;77.08,-3.15,;77.7,-4.57,;81.11,-8.94,;82.02,-7.69,;81.39,-6.29,;83.55,-7.85,;84.44,-6.6,;84.21,-5.09,;85.98,-6.6,;85.21,-7.94,)|
Structure:
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