Ki Summary

Reaction Details

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Target

Apelin receptor

Ligand

BDBM50570426

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_2112153 (CHEMBL4821003)

EC50

0.170000±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

BDBM50570426

n/a

Name

BDBM50570426

Synonyms:

CHEMBL4876050

Type

Small organic molecule

Emp. Form.

C24H23ClN4O6

Mol. Mass.

498.916

SMILES

CCOCc1[nH]c(=O)c(-c2nnc(Cc3ccc(Cl)nc3)o2)c(O)c1-c1c(OC)cccc1OC |(.83,-34.32,;2.17,-35.08,;3.5,-34.31,;4.84,-35.07,;6.17,-34.29,;6.16,-32.75,;7.49,-31.97,;7.49,-30.43,;8.83,-32.74,;10.16,-31.97,;10.31,-30.43,;11.82,-30.11,;12.59,-31.44,;14.13,-31.6,;14.76,-33,;16.28,-33.15,;16.91,-34.55,;16.01,-35.81,;16.64,-37.22,;14.48,-35.65,;13.85,-34.25,;11.57,-32.59,;8.83,-34.28,;10.16,-35.05,;7.5,-35.05,;7.51,-36.59,;6.18,-37.36,;4.85,-36.59,;3.52,-37.36,;6.18,-38.9,;7.51,-39.67,;8.85,-38.9,;8.84,-37.35,;10.18,-36.58,;11.51,-37.35,)|

Structure