Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM269524
Substrate
n/a
Meas. Tech.
[35S]GTPgammaS Binding Assay
pH
7.5±n/a
EC50
0.220±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:
BDBM269524
Synonyms:
(1R,2S)-N-(4-(2,6-bis(difluoromethoxy)phenyl)-5-(6-methoxy-2-pyridinyl)-4H-1,2,4-triazol-3-yl)-1-methoxy-1-(5-methyl-2-pyrimidinyl)-2-propanesulfonamide | US10058550, Example 41.0 | US10221162, Example 41.0 | US9845310, Example 41.0
Type:
Small organic molecule
Emp. Form.:
C25H25F4N7O6S
Mol. Mass.:
627.568
SMILES:
CO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cccc(OC)n2)n1-c1c(OC(F)F)cccc1OC(F)F)c1ncc(C)cn1 |r,wU:3.3,2.1,(7.52,-1.62,;5.98,-1.62,;5.21,-.28,;3.67,-.28,;2.9,1.05,;2.9,-1.62,;2.13,-2.95,;4.24,-2.39,;1.57,-.85,;.24,-1.62,;.24,-3.16,;-1.23,-3.63,;-2.13,-2.39,;-3.67,-2.39,;-4.44,-1.05,;-5.98,-1.05,;-6.75,-2.39,;-5.98,-3.72,;-6.75,-5.05,;-8.29,-5.05,;-4.44,-3.72,;-1.23,-1.14,;-1.63,.35,;-3.11,.75,;-4.2,-.34,;-5.69,.06,;-6.78,-1.03,;-6.09,1.54,;-3.51,2.23,;-2.42,3.32,;-.94,2.92,;-.54,1.44,;.95,1.04,;2.04,2.13,;1.64,3.61,;3.58,2.13,;5.98,1.05,;7.52,1.05,;8.29,2.39,;7.52,3.72,;8.29,5.05,;5.98,3.72,;5.21,2.39,)|
Structure:
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