Ki Summary

Reaction Details

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Target

Apelin receptor

Ligand

BDBM50544751

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_1993673 (CHEMBL4627568)

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

BDBM50544751

n/a

Name

BDBM50544751

Synonyms:

CHEMBL4647486

Type

Small organic molecule

Emp. Form.

C30H43N3O5

Mol. Mass.

525.6795

SMILES

COc1cccc(OC)c1-c1cc(nn1CC1CCCCC1)C(=O)N[C@@H](CCC1CCCCC1)CC(O)=O |r,wU:25.28,(8.69,-25.46,;9.32,-26.86,;8.41,-28.11,;6.89,-27.95,;5.97,-29.2,;6.6,-30.61,;8.13,-30.77,;8.76,-32.18,;7.85,-33.42,;9.04,-29.52,;10.58,-29.67,;11.6,-28.52,;13.01,-29.15,;12.85,-30.68,;11.35,-31,;10.73,-32.41,;11.64,-33.65,;11.01,-35.05,;11.92,-36.29,;13.45,-36.13,;14.07,-34.72,;13.16,-33.47,;14.34,-28.38,;14.34,-26.84,;15.68,-29.14,;17.01,-28.37,;17.01,-26.83,;18.34,-26.06,;18.34,-24.52,;19.67,-23.75,;19.67,-22.22,;18.34,-21.44,;17.01,-22.21,;17,-23.76,;18.35,-29.14,;19.68,-28.37,;21.01,-29.13,;19.68,-26.83,)|

Structure