Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM269883
Substrate
n/a
Meas. Tech.
[35S]GTPgammaS Binding Assay
pH
7.5±n/a
EC50
0.460±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:
BDBM269883
Synonyms:
1S,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 or (1R,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 | US10058550, Example 413.0 | US10221162, Example 413.0 | US9845310, Example 413.0
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,wU:6.6,wD:5.4,(6.48,-13.22,;6.48,-11.68,;5.14,-10.91,;5.14,-9.37,;3.81,-8.6,;3.81,-7.06,;2.48,-6.29,;2.48,-4.75,;1.14,-7.06,;1.91,-8.39,;.37,-8.39,;-.19,-6.29,;-1.52,-7.06,;-2,-8.52,;-3.54,-8.52,;-4.02,-7.06,;-5.35,-6.29,;-6.12,-7.62,;-7.66,-7.62,;-8.43,-6.29,;-7.66,-4.95,;-8.43,-3.62,;-6.12,-4.95,;-2.77,-6.15,;-2.77,-4.43,;-1.39,-3.69,;-.05,-4.46,;1.28,-3.69,;-1.44,-2.12,;-2.77,-1.35,;-4.1,-2.12,;-4.1,-3.66,;-5.44,-4.43,;-6.77,-3.66,;5.14,-6.29,;5.14,-4.75,;6.48,-3.98,;7.81,-4.75,;9.15,-3.98,;7.81,-6.29,;6.48,-7.06,)|
Structure:
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