Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM269974
Substrate
n/a
Meas. Tech.
[35S]GTPgammaS Binding Assay
pH
7.5±n/a
EC50
0.930±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:
BDBM269974
Synonyms:
1S,2S)—N-(4-(2,6-dimethoxyphenyl)-5-(6-methoxy-2-pyridinyl)-4H-1,2,4-triazol-3-yl)-1-hydroxy-1-(3-methoxy-5-methyl-2-pyrazinyl)-2-propanesulfonamide or (1R,2R)—N-(4-(2,6-dimethoxyphenyl)-5-(6-methoxy-2-pyridinyl)-4H-1,2,4-triazol-3-yl)-1-hydroxy-1-(3-methoxy-5-methyl-2-pyrazinyl)-2-propanesulfonamide | US10058550, Example 511.0 | US10058550, Example 512.0 | US10221162, Example 512.0 | US9845310, Example 512.0
Type:
Small organic molecule
Emp. Form.:
C25H29N7O7S
Mol. Mass.:
571.605
SMILES:
COc1cccc(n1)-c1nnc(NS(=O)(=O)[C@H](C)[C@H](O)c2ncc(C)nc2OC)n1-c1c(OC)cccc1OC |r,wU:18.19,wD:16.17,(-8.39,-9.74,;-8.79,-8.25,;-7.7,-7.16,;-8.1,-5.67,;-7.01,-4.58,;-5.53,-4.98,;-5.13,-6.47,;-6.22,-7.56,;-3.64,-6.87,;-3.16,-8.33,;-1.62,-8.33,;-1.15,-6.87,;.19,-6.1,;1.52,-6.87,;.75,-8.2,;2.29,-8.2,;2.85,-6.1,;2.85,-4.56,;4.19,-6.87,;4.19,-8.41,;5.52,-6.1,;5.52,-4.56,;6.85,-3.79,;8.19,-4.56,;9.52,-3.79,;8.19,-6.1,;6.85,-6.87,;6.85,-8.41,;8.19,-9.18,;-2.39,-5.96,;-2.39,-4.42,;-3.73,-3.65,;-5.06,-4.42,;-6.4,-3.65,;-3.73,-2.11,;-2.39,-1.34,;-1.06,-2.11,;-1.06,-3.65,;.27,-4.42,;1.61,-3.65,)|
Structure:
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