Ki Summary

Reaction Details

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Target

Apelin receptor

Ligand

BDBM50544725

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_1993673 (CHEMBL4627568)

EC50

425±n/a nM

Citation

Narayanan, S; Vasukuttan, V; Rajagopal, S; Maitra, R; Runyon, SP Identification of potent pyrazole based APELIN receptor (APJ) agonists. Bioorg Med Chem28:0 (2020) [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

BDBM50544725

n/a

Name

BDBM50544725

Synonyms:

CHEMBL4643789

Type

Small organic molecule

Emp. Form.

C33H41FN4O4

Mol. Mass.

576.7014

SMILES

COc1cccc(OC)c1-c1cc(nn1-c1ccc(F)cc1)C(=O)N[C@@H](CCC1CCCCC1)CC(=O)NC1CCC1 |r,wU:25.28,(65.64,-25.66,;66.26,-27.06,;65.36,-28.3,;63.83,-28.14,;62.92,-29.39,;63.54,-30.8,;65.07,-30.97,;65.7,-32.37,;64.79,-33.62,;65.99,-29.71,;67.52,-29.86,;68.55,-28.72,;69.96,-29.34,;69.8,-30.87,;68.3,-31.2,;67.67,-32.6,;66.15,-32.77,;65.54,-34.17,;66.44,-35.41,;65.83,-36.82,;67.97,-35.24,;68.59,-33.83,;71.29,-28.57,;71.28,-27.03,;72.62,-29.34,;73.95,-28.56,;73.95,-27.02,;75.29,-26.25,;75.28,-24.71,;76.62,-23.94,;76.62,-22.41,;75.29,-21.64,;73.95,-22.4,;73.94,-23.95,;75.29,-29.33,;76.62,-28.56,;76.62,-27.02,;77.96,-29.33,;79.29,-28.55,;80.78,-28.96,;81.18,-27.47,;79.69,-27.07,)|

Structure