Ki Summary

Reaction Details

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Target

Apelin receptor

Ligand

BDBM50544746

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_1993679 (CHEMBL4627574)

400±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

BDBM50544746

n/a

Name

BDBM50544746

Synonyms:

CHEMBL4638070

Type

Small organic molecule

Emp. Form.

C60H77N12O10S3

Mol. Mass.

1222.522

SMILES

CCN(CC)c1ccc2c(-c3ccc(cc3S([O-])(=O)=O)S(=O)(=O)NC(=O)NCCCC[C@H](NC(=O)Cc3csc(=N)n3C)C(=O)N[C@@H](Cc3cn(Cc4ccccc4)c[n+]3C)C(=O)NC3CCN(C)CC3)c3ccc(cc3oc2c1)=[N+](CC)CC |r,wU:46.48,wD:31.31,(7.89,-20.87,;9.26,-21.59,;9.32,-23.13,;8.02,-23.95,;6.65,-23.24,;10.68,-23.84,;10.74,-25.39,;12.11,-26.1,;13.4,-25.27,;14.77,-25.99,;14.83,-27.53,;13.52,-28.35,;13.58,-29.89,;14.94,-30.6,;16.25,-29.77,;16.18,-28.24,;17.48,-27.41,;18.85,-28.13,;16.65,-26.11,;18.19,-26.04,;14.96,-32.14,;16.5,-32.14,;15.73,-33.47,;13.65,-32.94,;13.67,-34.48,;15.02,-35.22,;12.35,-35.27,;12.38,-36.81,;13.72,-37.56,;13.75,-39.1,;15.1,-39.84,;15.12,-41.38,;16.47,-42.13,;17.79,-41.34,;17.76,-39.8,;19.14,-42.09,;20.46,-41.29,;20.59,-39.76,;22.09,-39.41,;22.89,-40.73,;24.42,-40.86,;21.88,-41.89,;22.22,-43.39,;13.8,-42.18,;13.83,-43.72,;12.46,-41.43,;11.13,-42.22,;11.16,-43.76,;9.84,-44.55,;8.42,-43.95,;7.41,-45.11,;5.87,-44.98,;4.99,-46.24,;3.45,-46.1,;2.57,-47.36,;3.22,-48.76,;4.76,-48.89,;5.64,-47.63,;8.2,-46.44,;9.7,-46.09,;10.86,-47.1,;9.79,-41.47,;9.76,-39.93,;8.47,-42.27,;7.12,-41.52,;7.1,-39.98,;5.76,-39.23,;4.43,-40.02,;3.09,-39.27,;4.45,-41.56,;5.8,-42.32,;16.07,-25.17,;17.43,-25.89,;18.73,-25.07,;18.68,-23.53,;17.31,-22.8,;16.01,-23.62,;14.64,-22.9,;13.34,-23.73,;11.98,-23.02,;19.98,-22.71,;19.93,-21.17,;21.24,-20.36,;21.34,-23.43,;22.63,-22.63,)|

Structure