Ki Summary

Reaction Details

Report a problem with these data

Target

Apelin receptor

Ligand

BDBM50544721

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_1993676 (CHEMBL4627571)

60±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

BDBM50544721

n/a

Name

BDBM50544721

Synonyms:

CHEMBL4644803

Type

Small organic molecule

Emp. Form.

C30H44N4O4

Mol. Mass.

524.6948

SMILES

CCCn1nc(cc1-c1c(OC)cccc1OC)C(=O)N[C@@H](CCC1CCCCC1)CC(=O)NC1CCC1 |r,wU:21.23,(9.06,-56.14,;9.67,-54.73,;8.76,-53.49,;9.38,-52.08,;10.89,-51.76,;11.04,-50.23,;9.64,-49.6,;8.61,-50.75,;7.07,-50.59,;6.45,-49.19,;7.35,-47.94,;6.72,-46.54,;4.92,-49.03,;4.01,-50.27,;4.63,-51.68,;6.16,-51.85,;6.79,-53.26,;5.88,-54.5,;12.38,-49.45,;12.37,-47.91,;13.71,-50.22,;15.04,-49.45,;15.04,-47.91,;16.37,-47.14,;16.37,-45.6,;17.7,-44.83,;17.71,-43.3,;16.37,-42.52,;15.04,-43.29,;15.03,-44.84,;16.38,-50.22,;17.71,-49.44,;17.71,-47.9,;19.05,-50.21,;20.38,-49.44,;21.87,-49.84,;22.27,-48.35,;20.78,-47.95,)|

Structure