Ki Summary

Reaction Details

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Target

Apelin receptor

Ligand

BDBM269651

Substrate/Competitor

n/a

Meas. Tech.

[35S]GTPgammaS Binding Assay

7.5±n/a

EC50

6.80±n/a nM

Comments

extracted

Citation

Chen, N; Chen, X; Chen, Y; Fu, Z; Heath, JA; Horne, DB; Kaller, MR; Khakoo, AY; Kopecky, DJ; Ma, Z; Mihalic, JT; Swaminath, G; Wang, X; Yeh, W Methods of treating heart failure US Patent US10058550 Publication Date 8/28/2018

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

BDBM269651

n/a

Name

BDBM269651

Synonyms:

6-(4-(2,6-dimethoxyphenyl)-5-((((1R,2S)-2-(5-fluoro-2-pyrimidinyl)-1-methylpropyl)sulfonyl)amino)-4H-1,2,4-triazol-3-yl)-N-methyl-2-pyridinecarboxamide, 6-(4-(2,6-dimethoxyphenyl)-5-((((1S,2R)-2-(5-fluoro-2-pyrimidinyl)-1-methylpropyl)sulfonyl)amino)-4H-1,2,4-triazol-3-yl)-N-methyl-2-pyridinecarboxamide | US10058550, Example 165.0 | US10058550, Example 166.0 | US10058550, Example 167.0 | US10221162, Example 167.0 | US9845310, Example 167.0

Type

Small organic molecule

Emp. Form.

C25H27FN8O5S

Mol. Mass.

570.596

SMILES

CNC(=O)c1cccc(n1)-c1nnc(NS(=O)(=O)[C@@H](C)[C@H](C)c2ncc(F)cn2)n1-c1c(OC)cccc1OC |r,wU:18.19,20.21,(-8.12,-5.43,;-7.35,-4.1,;-8.12,-2.76,;-9.66,-2.76,;-7.35,-1.43,;-8.12,-.1,;-7.35,1.24,;-5.81,1.24,;-5.04,-.1,;-5.81,-1.43,;-3.5,-.1,;-3.02,-1.56,;-1.48,-1.56,;-1.01,-.1,;.32,.67,;1.66,-.1,;.89,-1.43,;2.43,-1.43,;2.99,.67,;2.99,2.21,;4.33,-.1,;4.33,-1.64,;5.66,.67,;6.99,-.1,;8.33,.67,;8.33,2.21,;9.66,2.98,;6.99,2.98,;5.66,2.21,;-2.25,.81,;-2.25,2.35,;-.92,3.12,;.41,2.35,;1.75,3.12,;-.92,4.66,;-2.25,5.43,;-3.59,4.66,;-3.59,3.12,;-4.92,2.35,;-6.26,3.12,)|

Structure