Ki Summary

Reaction Details

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Target

Apelin receptor

Ligand

BDBM50588328

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_2186719 (CHEMBL5098801)

EC50

0.020000±n/a nM

Citation

Meng, W; Pi, Z; Brigance, R; Rossi, KA; Schumacher, WA; Bostwick, JS; Gargalovic, PS; Onorato, JM; Luk, CE; Generaux, CN; Wang, T; Wexler, RR; Finlay, HJ Identification of a Hydroxypyrimidinone Compound ( J Med Chem64:18102-18113 (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

BDBM50588328

n/a

Name

BDBM50588328

Synonyms:

CHEMBL5208127

Type

Small organic molecule

Emp. Form.

C27H25F2N5O5

Mol. Mass.

537.5147

SMILES

COc1cccc(OC)c1-n1c(O)c(C(=O)N2CCC(C2)c2ccc(F)cc2F)c(=O)nc1-c1ccn(C)n1 |(52.2,-24.92,;50.86,-24.15,;49.53,-24.93,;49.53,-26.48,;48.2,-27.25,;46.86,-26.48,;46.86,-24.93,;45.53,-24.16,;44.2,-24.94,;48.19,-24.16,;48.21,-21.58,;49.54,-20.81,;50.88,-21.58,;49.54,-19.28,;50.86,-18.5,;50.86,-16.96,;52.2,-19.26,;52.38,-20.79,;53.89,-21.1,;54.65,-19.76,;53.61,-18.62,;56.18,-19.59,;56.79,-18.19,;58.32,-18.02,;59.24,-19.26,;60.77,-19.09,;58.61,-20.67,;57.09,-20.84,;56.46,-22.25,;48.2,-18.51,;48.19,-16.97,;46.86,-19.29,;46.88,-20.83,;45.55,-21.61,;45.39,-23.14,;43.89,-23.47,;43.11,-22.14,;41.58,-22,;44.13,-20.99,)|

Structure