Ki Summary

Reaction Details

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Target

Apelin receptor

Ligand

BDBM50544744

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_1993674 (CHEMBL4627569)

EC50

113±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

BDBM50544744

n/a

Name

BDBM50544744

Synonyms:

CHEMBL4647996

Type

Small organic molecule

Emp. Form.

C31H48N4O5

Mol. Mass.

556.7366

SMILES

CCC(O)CNC(=O)C[C@H](CCC1CCCCC1)NC(=O)c1cc(-c2c(OC)cccc2OC)n(CC(C)C)n1 |r,wU:9.9,(23.75,-9.44,;22.42,-8.67,;21.08,-9.44,;21.09,-10.98,;19.75,-8.68,;18.42,-9.45,;17.08,-8.68,;17.08,-7.14,;15.75,-9.45,;14.41,-8.69,;14.41,-7.15,;15.74,-6.37,;15.74,-4.83,;17.07,-4.07,;17.08,-2.53,;15.74,-1.76,;14.41,-2.53,;14.4,-4.07,;13.08,-9.46,;11.75,-8.69,;11.74,-7.15,;10.41,-9.46,;9.01,-8.84,;7.98,-9.98,;6.44,-9.83,;5.82,-8.43,;6.72,-7.18,;6.09,-5.77,;4.29,-8.26,;3.38,-9.51,;4,-10.92,;5.53,-11.09,;6.16,-12.49,;5.25,-13.74,;8.75,-11.32,;8.13,-12.72,;9.04,-13.96,;8.43,-15.37,;10.58,-13.79,;10.26,-10.99,)|

Structure