Ki Summary

Reaction Details

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Target

Apelin receptor

Ligand

BDBM50588330

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_2186719 (CHEMBL5098801)

EC50

0.040000±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

BDBM50588330

n/a

Name

BDBM50588330

Synonyms:

CHEMBL5197398

Type

Small organic molecule

Emp. Form.

C29H30FN5O3

Mol. Mass.

515.5786

SMILES

CCc1cccc(CC)c1-n1c(O)c(C(=O)N2CC[C@@H](C2)c2ccccc2F)c(=O)nc1-c1ccn(C)n1 |r,wU:19.22,(13.35,-41.59,;12.01,-40.83,;10.68,-41.6,;10.69,-43.15,;9.35,-43.93,;8.01,-43.15,;8.02,-41.61,;6.68,-40.84,;5.35,-41.61,;9.34,-40.84,;9.36,-38.26,;10.69,-37.49,;12.03,-38.26,;10.69,-35.95,;12.02,-35.18,;12.01,-33.64,;13.35,-35.94,;13.53,-37.46,;15.04,-37.77,;15.8,-36.44,;14.76,-35.3,;17.33,-36.27,;17.94,-34.87,;19.47,-34.69,;20.39,-35.94,;19.77,-37.35,;18.24,-37.52,;17.61,-38.92,;9.35,-35.18,;9.35,-33.64,;8.02,-35.97,;8.03,-37.5,;6.7,-38.28,;6.54,-39.82,;5.04,-40.15,;4.26,-38.82,;2.73,-38.67,;5.28,-37.67,)|

Structure