Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM270036
Substrate
n/a
Meas. Tech.
[35S]GTPgammaS Binding Assay
pH
7.5±n/a
EC50
2.00±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:
BDBM270036
Synonyms:
(1S,2S)-1-(5-chloropyrimidin-2-yl)-N-(4-(2,6-dimethoxyphenyl)-5-(6-methoxypyridin-2-yl)-4H-1,2,4-triazol-3-yl)-1-methoxypropane-2-sulfonamide or (1S,2R)-1-(5-chloropyrimidin-2-yl)-N-(4-(2,6-dimethoxyphenyl)-5-(6-methoxypyridin-2-yl)-4H-1,2,4-triazol-3-yl)-1-methoxypropane-2-sulfonamide or (1R,2S)-1-(5-chloropyrimidin-2-yl)-N-(4-(2,6-dimethoxyphenyl)-5-(6-methoxypyridin-2-yl)-4H-1,2,4-triazol-3-yl)-1-methoxypropane-2-sulfonamide | US10058550, Example 596.0 | US10058550, Example 597.0 | US10058550, Example 598.0 | US10058550, Example 599.0 | US10221162, Example 599.0 | US9845310, Example 599.0
Type:
Small organic molecule
Emp. Form.:
C24H26ClN7O6S
Mol. Mass.:
576.025
SMILES:
CO[C@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cccc(OC)n2)n1-c1c(OC)cccc1OC)c1ncc(Cl)cn1 |r,wU:3.3,wD:2.1,(-1.89,-23.6,;-.99,-22.35,;.54,-22.51,;1.45,-21.27,;2.98,-21.43,;.82,-19.86,;-.58,-20.48,;2.23,-19.23,;.2,-18.45,;1.1,-17.21,;2.64,-17.21,;3.12,-15.74,;1.87,-14.84,;1.87,-13.3,;.54,-12.53,;.54,-10.99,;1.87,-10.22,;3.21,-10.99,;4.54,-10.22,;4.54,-8.68,;3.21,-12.53,;.63,-15.74,;-.84,-15.27,;-1.16,-13.76,;-.01,-12.73,;-.33,-11.22,;-2.62,-13.28,;-3.77,-14.31,;-3.45,-15.82,;-1.98,-16.3,;-1.66,-17.8,;-2.81,-18.83,;1.17,-23.92,;2.7,-24.08,;3.33,-25.49,;2.42,-26.73,;3.05,-28.14,;.89,-26.57,;.27,-25.16,)|
Structure:
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