Ki Summary

Reaction Details

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Target

Apelin receptor

Ligand

BDBM50570420

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_2112153 (CHEMBL4821003)

EC50

0.400000±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

BDBM50570420

n/a

Name

BDBM50570420

Synonyms:

CHEMBL4861053

Type

Small organic molecule

Emp. Form.

C26H26ClN3O5

Mol. Mass.

495.955

SMILES

CCCCc1[nH]c(=O)c(-c2nnc(Cc3ccc(Cl)cc3)o2)c(O)c1-c1c(OC)cccc1OC |(36.73,-14.63,;38.06,-15.39,;39.39,-14.61,;40.73,-15.37,;42.06,-14.6,;42.05,-13.06,;43.39,-12.28,;43.38,-10.74,;44.72,-13.05,;46.05,-12.27,;46.21,-10.74,;47.71,-10.42,;48.49,-11.75,;50.02,-11.9,;50.65,-13.31,;49.74,-14.55,;50.37,-15.96,;51.9,-16.12,;52.53,-17.53,;52.81,-14.86,;52.17,-13.46,;47.46,-12.89,;44.73,-14.58,;46.06,-15.36,;43.39,-15.36,;43.4,-16.89,;42.07,-17.66,;40.74,-16.9,;39.41,-17.67,;42.07,-19.21,;43.41,-19.98,;44.74,-19.21,;44.74,-17.66,;46.07,-16.88,;47.4,-17.65,)|

Structure