Ki Summary

Reaction Details

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Target

Apelin receptor

Ligand

BDBM50571406

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_2114593 (CHEMBL4823534)

EC50

523±n/a nM

Citation

Narayanan, S; Wang, S; Vasukuttan, V; Vyas Devambatla, RK; Dai, D; Jin, C; Snyder, R; Laudermilk, L; Runyon, SP; Maitra, R Pyrazole Agonist of the Apelin Receptor Improves Symptoms of Metabolic Syndrome in Mice. J Med Chem64:3006-3025 (2021) [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

BDBM50571406

n/a

Name

BDBM50571406

Synonyms:

CHEMBL4876051

Type

Small organic molecule

Emp. Form.

C28H39N7O3

Mol. Mass.

521.6544

SMILES

COc1cccc(OC)c1-c1cc(nn1C1CCCC1)C(=O)N[C@@H](CCN1CCCCC1)Cc1nnc[nH]1 |r,wU:23.26,(2.18,-9.73,;3.32,-10.76,;3,-12.27,;1.54,-12.74,;1.22,-14.25,;2.38,-15.28,;3.84,-14.8,;4.99,-15.82,;4.67,-17.33,;4.15,-13.3,;5.61,-12.82,;6.08,-11.35,;7.62,-11.35,;8.1,-12.82,;6.85,-13.72,;6.86,-15.26,;5.62,-16.17,;6.09,-17.63,;7.63,-17.63,;8.11,-16.17,;8.52,-10.11,;7.89,-8.7,;10.05,-10.26,;10.96,-9.02,;10.33,-7.61,;11.23,-6.36,;10.6,-4.96,;11.52,-3.71,;10.89,-2.31,;9.36,-2.14,;8.45,-3.39,;9.08,-4.8,;12.49,-9.18,;13.39,-7.93,;12.89,-6.48,;14.13,-5.57,;15.38,-6.46,;14.91,-7.93,)|

Structure