Ki Summary

Reaction Details

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Target

Apelin receptor

Ligand

BDBM50544729

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_1993673 (CHEMBL4627568)

EC50

101±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

BDBM50544729

n/a

Name

BDBM50544729

Synonyms:

CHEMBL4647391

Type

Small organic molecule

Emp. Form.

C33H48N4O4

Mol. Mass.

564.7586

SMILES

COc1cccc(OC)c1-c1cc(nn1C1CCCCC1)C(=O)N[C@@H](CCC1CCCCC1)CC(=O)NC1CCC1 |r,wU:24.27,(64.94,-45.08,;65.56,-46.49,;64.66,-47.74,;63.14,-47.58,;62.22,-48.82,;62.84,-50.23,;64.38,-50.4,;65.01,-51.81,;64.1,-53.05,;65.29,-49.14,;66.82,-49.3,;67.85,-48.15,;69.26,-48.78,;69.1,-50.31,;67.6,-50.63,;66.98,-52.04,;65.46,-52.2,;64.84,-53.6,;65.74,-54.84,;67.27,-54.67,;67.9,-53.26,;70.6,-48,;70.59,-46.46,;71.92,-48.77,;73.26,-48,;73.25,-46.46,;74.59,-45.69,;74.59,-44.15,;75.92,-43.38,;75.92,-41.84,;74.59,-41.07,;73.25,-41.84,;73.25,-43.38,;74.59,-48.77,;75.93,-47.99,;75.92,-46.45,;77.26,-48.76,;78.6,-47.99,;80.09,-48.38,;80.48,-46.9,;78.99,-46.5,)|

Structure