Ki Summary

Reaction Details

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Target

Apelin receptor

Ligand

BDBM50588327

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

BDBM50588327

n/a

Name

BDBM50588327

Synonyms:

CHEMBL5192130

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-c1cnn(C)c1 |(31.71,-25.37,;30.37,-24.6,;29.04,-25.38,;29.05,-26.93,;27.71,-27.7,;26.38,-26.93,;26.38,-25.39,;25.05,-24.62,;23.71,-25.39,;27.71,-24.62,;27.73,-22.03,;29.06,-21.27,;30.39,-22.03,;29.05,-19.73,;30.38,-18.95,;30.37,-17.41,;31.72,-19.72,;31.89,-21.24,;33.4,-21.55,;34.16,-20.21,;33.13,-19.07,;35.69,-20.04,;36.3,-18.64,;37.83,-18.47,;38.75,-19.71,;40.28,-19.54,;38.13,-21.12,;36.6,-21.29,;35.98,-22.7,;27.71,-18.96,;27.71,-17.42,;26.38,-19.74,;26.39,-21.28,;25.06,-22.06,;24.91,-23.59,;23.4,-23.92,;22.62,-22.6,;21.09,-22.45,;23.64,-21.44,)|

Structure