Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM269658
Substrate
n/a
Meas. Tech.
[35S]GTPgammaS Binding Assay
pH
7.5±n/a
EC50
0.065±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:
BDBM269658
Synonyms:
(1R,2S)-N-(4-(2,6-dimethoxyphenyl)-5-(6-ethoxy-2-pyridinyl)-4H-1,2,4-triazol-3-yl)-1-methoxy-1-(5-methyl-2-pyrimidinyl)-2-propanesulfonamide | US10058550, Example 172.0 | US10221162, Example 172.0 | US9845310, Example 172.0
Type:
Small organic molecule
Emp. Form.:
C26H31N7O6S
Mol. Mass.:
569.633
SMILES:
CCOc1cccc(n1)-c1nnc(NS(=O)(=O)[C@@H](C)[C@H](OC)c2ncc(C)cn2)n1-c1c(OC)cccc1OC |r,wU:17.18,19.20,(-8.89,-5.43,;-8.12,-4.1,;-8.89,-2.76,;-8.12,-1.43,;-8.89,-.1,;-8.12,1.24,;-6.58,1.24,;-5.81,-.1,;-6.58,-1.43,;-4.27,-.1,;-3.79,-1.56,;-2.25,-1.56,;-1.78,-.1,;-.45,.67,;.89,-.1,;.12,-1.43,;1.66,-1.43,;2.22,.67,;2.22,2.21,;3.56,-.1,;3.56,-1.64,;2.22,-2.41,;4.89,.67,;6.22,-.1,;7.56,.67,;7.56,2.21,;8.89,2.98,;6.22,2.98,;4.89,2.21,;-3.02,.81,;-3.02,2.35,;-1.69,3.12,;-.36,2.35,;.98,3.12,;-1.69,4.66,;-3.02,5.43,;-4.36,4.66,;-4.36,3.12,;-5.69,2.35,;-7.03,3.12,)|
Structure:
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