Ki Summary

Reaction Details

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Target

Apelin receptor

Ligand

BDBM269870

Substrate/Competitor

n/a

Meas. Tech.

[35S]GTPgammaS Binding Assay

7.5±n/a

EC50

30.0±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

BDBM269870

n/a

Name

BDBM269870

Synonyms:

(1S,2R)—N-(4-(2,6-dimethoxyphenyl)-5-(5-methylpyridin-3-yl)-4H-1,2,4-triazol-3-yl)-1-(2-methoxyethoxy)-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide or (1R,2S)—N-(4-(2,6-dimethoxyphenyl)-5-(5-methylpyridin-3-yl)-4H-1,2,4-triazol-3-yl)-1-(2-methoxyethoxy)-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide | US10058550, Example 396.0 | US10221162, Example 397.0 | US9845310, Example 397.0

Type

Small organic molecule

Emp. Form.

C27H33N7O6S

Mol. Mass.

583.659

SMILES

COCCO[C@H]([C@@H](C)S(=O)(=O)Nc1nnc(-c2cncc(C)c2)n1-c1c(OC)cccc1OC)c1ncc(C)cn1 |r,wD:5.4,6.6,(6.64,-12.26,;6.64,-10.72,;5.31,-9.95,;5.31,-8.41,;3.98,-7.64,;3.98,-6.1,;2.64,-5.33,;2.64,-3.79,;1.31,-6.1,;.54,-7.43,;2.08,-7.43,;-.03,-5.33,;-1.36,-6.1,;-1.84,-7.57,;-3.38,-7.57,;-3.85,-6.1,;-5.34,-5.7,;-6.11,-7.04,;-7.65,-7.04,;-8.42,-5.7,;-7.65,-4.37,;-8.42,-3.04,;-6.11,-4.37,;-2.61,-5.2,;-2.61,-3.66,;-1.22,-2.91,;.11,-3.68,;1.44,-2.91,;-1.27,-1.35,;-2.61,-.58,;-3.94,-1.35,;-3.94,-2.89,;-5.27,-3.66,;-6.61,-2.89,;5.31,-5.33,;6.64,-6.1,;7.98,-5.33,;7.98,-3.79,;9.31,-3.02,;6.64,-3.02,;5.31,-3.79,)|

Structure