Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM270018
Substrate
n/a
Meas. Tech.
[35S]GTPgammaS Binding Assay
pH
7.5±n/a
EC50
0.260±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 
Target
Name:
Apelin receptor
Synonyms:
AGTRL1 | APJ | APJ_HUMAN | APLNR | Angiotensin receptor-like 1 | Apelin receptor | Apelin receptor (APJ) | G-protein coupled receptor APJ | G-protein coupled receptor HG11
Type:
Enzyme Catalytic Domain
Mol. Mass.:
42664.06
Organism:
Homo sapiens (Human)
Description:
P35414
Residue:
380
Sequence:
MEEGGDFDNYYGADNQSECEYTDWKSSGALIPAIYMLVFLLGTTGNGLVLWTVFRSSREKRRSADIFIASLAVADLTFVVTLPLWATYTYRDYDWPFGTFFCKLSSYLIFVNMYASVFCLTGLSFDRYLAIVRPVANARLRLRVSGAVATAVLWVLAALLAMPVMVLRTTGDLENTTKVQCYMDYSMVATVSSEWAWEVGLGVSSTTVGFVVPFTIMLTCYFFIAQTIAGHFRKERIEGLRKRRRLLSIIVVLVVTFALCWMPYHLVKTLYMLGSLLHWPCDFDLFLMNIFPYCTCISYVNSCLNPFLYAFFDPRFRQACTSMLCCGQSRCAGTSHSSSGEKSASYSSGHSQGPGPNMGKGGEQMHEKSIPYSQETLVVD
  
Inhibitor
Name:
BDBM270018
Synonyms:
(1S,2R)—N-(4-(2,6-dimethoxyphenyl)-5-(5-methyl-3-pyridinyl)-4H-1,2,4-triazol-3-yl)-1-hydroxy-1-(5-methyl-2-pyrazinyl)-2-propanesulfonamide or (1R,2S)—N-(4-(2,6-dimethoxyphenyl)-5-(5-methyl-3-pyridinyl)-4H-1,2,4-triazol-3-yl)-1-hydroxy-1-(5-methyl-2-pyrazinyl)-2-propanesulfonamide | US10058550, Example 568.0 | US10058550, Example 569.0 | US10221162, Example 569.0 | US9845310, Example 569.0
Type:
Small organic molecule
Emp. Form.:
C24H27N7O5S
Mol. Mass.:
525.58
SMILES:
COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@H](C)[C@@H](O)c2cnc(C)cn2)nnc1-c1cncc(C)c1 |r,wD:16.17,18.19,(-6.01,-4.77,;-4.52,-5.17,;-3.43,-4.08,;-3.83,-2.6,;-2.74,-1.51,;-1.25,-1.91,;-.85,-3.39,;.63,-3.79,;1.72,-2.7,;-1.94,-4.48,;-1.11,-6.93,;.35,-7.4,;1.69,-6.63,;3.02,-7.4,;2.25,-8.74,;4.36,-8.17,;3.79,-6.07,;3.02,-4.74,;5.33,-6.07,;6.1,-7.4,;6.1,-4.74,;7.64,-4.74,;8.41,-3.4,;7.64,-2.07,;8.41,-.73,;6.1,-2.07,;5.33,-3.4,;.35,-8.94,;-1.11,-9.42,;-2.02,-8.17,;-3.5,-7.77,;-3.9,-6.29,;-5.39,-5.89,;-6.48,-6.98,;-6.08,-8.46,;-7.17,-9.55,;-4.59,-8.86,)|
Structure:
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