Ki Summary

Reaction Details

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Target

Apelin receptor

Ligand

BDBM50544752

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_1993673 (CHEMBL4627568)

EC50

380±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

BDBM50544752

n/a

Name

BDBM50544752

Synonyms:

CHEMBL4642566

Type

Small organic molecule

Emp. Form.

C29H41N3O5

Mol. Mass.

511.6529

SMILES

COc1cccc(OC)c1-c1cc(nn1C1CCCCC1)C(=O)N[C@@H](CCC1CCCCC1)CC(O)=O |r,wU:24.27,(64.81,-5.23,;65.44,-6.63,;64.54,-7.88,;63.01,-7.72,;62.09,-8.97,;62.71,-10.37,;64.25,-10.54,;64.88,-11.95,;63.97,-13.19,;65.16,-9.29,;66.7,-9.44,;67.73,-8.29,;69.14,-8.92,;68.98,-10.45,;67.47,-10.77,;66.85,-12.18,;65.33,-12.34,;64.71,-13.74,;65.61,-14.97,;67.14,-14.81,;67.77,-13.4,;70.47,-8.14,;70.47,-6.6,;71.8,-8.92,;73.13,-8.14,;73.13,-6.6,;74.46,-5.83,;74.46,-4.29,;75.79,-3.52,;75.79,-1.99,;74.46,-1.21,;73.13,-1.98,;73.12,-3.53,;74.47,-8.91,;75.8,-8.13,;77.14,-8.91,;75.8,-6.59,)|

Structure