Ki Summary

Reaction Details

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Target

Apelin receptor

Ligand

BDBM50544741

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_1993674 (CHEMBL4627569)

EC50

>10000±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

BDBM50544741

n/a

Name

BDBM50544741

Synonyms:

CHEMBL4644715

Type

Small organic molecule

Emp. Form.

C29H38N4O5

Mol. Mass.

522.6358

SMILES

COCCNC(=O)[C@H](CCc1ccccc1)NC(=O)c1cc(-c2c(OC)cccc2OC)n(CC(C)C)n1 |r,wU:7.7,(81.02,-47.56,;79.69,-48.33,;78.35,-47.57,;77.02,-48.34,;75.69,-47.57,;74.35,-48.34,;74.36,-49.88,;73.02,-47.57,;73.02,-46.03,;74.35,-45.26,;74.35,-43.72,;75.68,-42.95,;75.68,-41.42,;74.35,-40.65,;73.01,-41.42,;73.01,-42.96,;71.69,-48.35,;70.35,-47.58,;70.35,-46.04,;69.02,-48.35,;67.61,-47.73,;66.58,-48.87,;65.05,-48.72,;64.42,-47.31,;65.32,-46.07,;64.7,-44.66,;62.89,-47.15,;61.98,-48.4,;62.6,-49.81,;64.14,-49.97,;64.76,-51.38,;63.86,-52.63,;67.35,-50.21,;66.74,-51.61,;67.65,-52.85,;67.03,-54.26,;69.18,-52.68,;68.86,-49.88,)|

Structure