Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM270022
Substrate
n/a
Meas. Tech.
[35S]GTPgammaS Binding Assay
pH
7.5±n/a
EC50
0.230±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:
BDBM270022
Synonyms:
(1R,2S)—N-(4-(2,6-dimethoxyphenyl)-5-(6-methoxy-2-pyridinyl)-4H-1,2,4-triazol-3-yl)-1-methoxy-1-(5-methyl-2-pyrazinyl)-2-propanesulfonamide or (1S,2R)—N-(4-(2,6-dimethoxyphenyl)-5-(6-methoxy-2-pyridinyl)-4H-1,2,4-triazol-3-yl)-1-methoxy-1-(5-methyl-2-pyrazinyl)-2-propanesulfonamide | US10058550, Example 574.0 | US10058550, Example 575.0 | US9845310, Example 575.0
Type:
Small organic molecule
Emp. Form.:
C25H29N7O6S
Mol. Mass.:
555.606
SMILES:
CO[C@H]([C@@H](C)S(=O)(=O)Nc1nnc(-c2cccc(OC)n2)n1-c1c(OC)cccc1OC)c1cnc(C)cn1 |r,wD:3.3,2.1,(5.33,-8.74,;6.1,-7.4,;5.33,-6.07,;3.79,-6.07,;3.02,-4.74,;3.02,-7.4,;2.25,-8.74,;4.36,-8.17,;1.69,-6.63,;.35,-7.4,;.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,;-8.66,-9.16,;-4.59,-8.86,;-1.11,-6.93,;-1.94,-4.48,;-3.43,-4.08,;-4.52,-5.17,;-6.01,-4.77,;-3.83,-2.6,;-2.74,-1.51,;-1.25,-1.91,;-.85,-3.39,;.63,-3.79,;1.72,-2.7,;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,)|
Structure:
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