Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM270027
Substrate
n/a
Meas. Tech.
[35S]GTPgammaS Binding Assay
pH
7.5±n/a
EC50
0.190±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:
BDBM270027
Synonyms:
(1S,2S)—N-(4-(2,6-dimethoxyphenyl)-5-(6-methoxypyridin-2-yl)-4H-1,2,4-triazol-3-yl)-1-hydroxy-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide or (1R,2S)—N-(4-(2,6-dimethoxyphenyl)-5-(6-methoxypyridin-2-yl)-4H-1,2,4-triazol-3-yl)-1-hydroxy-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide or (1S,2R)—N-(4-(2,6-dimethoxyphenyl)-5-(6-methoxypyridin-2-yl)-4H-1,2,4-triazol-3-yl)-1-hydroxy-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide | US10058550, Example 583.0 | US9845310, Example 583.0
Type:
Small organic molecule
Emp. Form.:
C24H27N7O6S
Mol. Mass.:
541.579
SMILES:
COc1cccc(n1)-c1nnc(NS(=O)(=O)[C@@H](C)[C@@H](O)c2ncc(C)cn2)n1-c1c(OC)cccc1OC |r,wU:16.17,wD:18.19,(-8.5,-21.53,;-7.01,-21.93,;-5.92,-20.84,;-6.32,-19.36,;-5.23,-18.27,;-3.74,-18.67,;-3.35,-20.15,;-4.43,-21.24,;-1.86,-20.55,;-.95,-21.8,;.51,-21.32,;.51,-19.78,;1.85,-19.01,;3.18,-19.78,;2.41,-21.12,;4.51,-20.55,;3.95,-18.45,;3.18,-17.11,;5.49,-18.45,;6.26,-19.78,;6.26,-17.11,;7.8,-17.11,;8.57,-15.78,;7.8,-14.45,;8.57,-13.11,;6.26,-14.45,;5.49,-15.78,;-.95,-19.31,;-1.78,-16.86,;-3.27,-16.46,;-4.36,-17.55,;-5.85,-17.15,;-3.67,-14.98,;-2.58,-13.89,;-1.09,-14.29,;-.7,-15.77,;.79,-16.17,;1.88,-15.08,)|
Structure:
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