Ki Summary

Reaction Details

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Target

Apelin receptor

Ligand

BDBM50570419

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_2112153 (CHEMBL4821003)

EC50

2.6±n/a nM

Citation

Johnson, JA; Kim, SH; Jiang, J; Phillips, M; Schumacher, WA; Bostwick, JS; Gargalovic, PS; Onorato, JM; Luk, CE; Generaux, C; He, Y; Chen, XQ; Xu, C; Galella, MA; Wang, T; Gordon, DA; Wexler, RR; Finlay, HJ Discovery of a Hydroxypyridinone APJ Receptor Agonist as a Clinical Candidate. J Med Chem64:3086-3099 (2021) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Apelin receptor

Name:

Apelin receptor

Synonyms:

Type:

Enzyme Catalytic Domain

Mol. Mass.:

42664.06

Organism:

Homo sapiens (Human)

Description:

P35414

Residue:

380

Sequence:

MEEGGDFDNYYGADNQSECEYTDWKSSGALIPAIYMLVFLLGTTGNGLVLWTVFRSSREK
RRSADIFIASLAVADLTFVVTLPLWATYTYRDYDWPFGTFFCKLSSYLIFVNMYASVFCL
TGLSFDRYLAIVRPVANARLRLRVSGAVATAVLWVLAALLAMPVMVLRTTGDLENTTKVQ
CYMDYSMVATVSSEWAWEVGLGVSSTTVGFVVPFTIMLTCYFFIAQTIAGHFRKERIEGL
RKRRRLLSIIVVLVVTFALCWMPYHLVKTLYMLGSLLHWPCDFDLFLMNIFPYCTCISYV
NSCLNPFLYAFFDPRFRQACTSMLCCGQSRCAGTSHSSSGEKSASYSSGHSQGPGPNMGK
GGEQMHEKSIPYSQETLVVD

BDBM50570419

n/a

Name

BDBM50570419

Synonyms:

CHEMBL4861906

Type

Small organic molecule

Emp. Form.

C26H26ClN3O5

Mol. Mass.

495.955

SMILES

CCCCc1[nH]c(=O)c(-c2nnc(Cc3cccc(Cl)c3)o2)c(O)c1-c1c(OC)cccc1OC |(17.91,-14.72,;19.24,-15.48,;20.57,-14.71,;21.91,-15.47,;23.24,-14.69,;23.23,-13.15,;24.57,-12.37,;24.56,-10.83,;25.9,-13.14,;27.23,-12.37,;27.39,-10.83,;28.89,-10.51,;29.67,-11.84,;31.2,-12,;31.83,-13.4,;30.92,-14.65,;31.55,-16.05,;33.08,-16.21,;33.99,-14.95,;35.52,-15.11,;33.35,-13.55,;28.64,-12.99,;25.91,-14.68,;27.24,-15.45,;24.57,-15.45,;24.58,-16.99,;23.25,-17.76,;21.92,-16.99,;20.59,-17.77,;23.25,-19.3,;24.58,-20.07,;25.92,-19.3,;25.92,-17.75,;27.25,-16.98,;28.58,-17.75,)|

Structure