Ki Summary

Reaction Details

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Target

Apelin receptor

Ligand

BDBM50544723

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_1993674 (CHEMBL4627569)

EC50

8870±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

BDBM50544723

n/a

Name

BDBM50544723

Synonyms:

CHEMBL4649282

Type

Small organic molecule

Emp. Form.

C29H42N4O6

Mol. Mass.

542.667

SMILES

COc1cccc(OC)c1-c1cc(nn1CC(C)C)C(=O)N[C@@H](CCC1CCCCC1)CC(=O)NCC(O)=O |r,wU:22.24,(63.7,-46.9,;64.33,-48.31,;63.43,-49.55,;61.9,-49.39,;60.99,-50.64,;61.61,-52.05,;63.14,-52.21,;63.77,-53.62,;62.86,-54.87,;64.05,-50.96,;65.59,-51.11,;66.62,-49.97,;68.02,-50.59,;67.87,-52.12,;66.36,-52.45,;65.74,-53.85,;66.65,-55.09,;66.04,-56.5,;68.19,-54.92,;69.36,-49.82,;69.35,-48.28,;70.69,-50.59,;72.02,-49.81,;72.02,-48.27,;73.35,-47.5,;73.35,-45.96,;74.68,-45.19,;74.69,-43.66,;73.35,-42.89,;72.02,-43.66,;72.01,-45.2,;73.36,-50.58,;74.69,-49.81,;74.69,-48.27,;76.03,-50.58,;77.36,-49.81,;78.69,-50.57,;80.03,-49.8,;78.7,-52.11,)|

Structure