Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM269619
Substrate
n/a
Meas. Tech.
[35S]GTPgammaS Binding Assay
pH
7.5±n/a
EC50
36.0±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:
BDBM269619
Synonyms:
(2S)-N-(4-(2,6-dimethoxyphenyl)-5-(2-methoxy-4-pyridinyl)-4H-1,2,4-triazol-3-yl)-1-(5-fluoro-2-pyrimidinyl)-2-propanesulfonamide, (2R)-N-(4-(2,6-dimethoxyphenyl)-5-(2-methoxy-4-pyridinyl)-4H-1,2,4-triazol-3-yl)-1-(5-fluoro-2-pyrimidinyl)-2-propanesulfonamide | US10058550, Example 133.0 | US10058550, Example 136.0 | US10221162, Example 135.0 | US9845310, Example 135.0
Type:
Small organic molecule
Emp. Form.:
C23H24FN7O5S
Mol. Mass.:
529.544
SMILES:
COc1cc(ccn1)-c1nnc(NS(=O)(=O)[C@@H](C)Cc2ncc(F)cn2)n1-c1c(OC)cccc1OC |r,wU:16.17,(-10.4,-3.11,;-8.86,-3.11,;-8.09,-1.77,;-6.55,-1.77,;-5.78,-.44,;-6.55,.89,;-8.09,.89,;-8.86,-.44,;-4.3,-.84,;-3.82,-2.3,;-2.28,-2.3,;-1.81,-.84,;-.47,-.07,;.86,-.84,;.09,-2.17,;1.63,-2.17,;2.2,-.07,;2.2,1.47,;3.53,-.84,;4.86,-.07,;6.2,-.84,;7.53,-.07,;7.53,1.47,;8.86,2.24,;6.2,2.24,;4.86,1.47,;-3.05,.07,;-3.05,1.61,;-1.59,2.32,;-.25,1.55,;1.08,2.33,;-1.72,3.92,;-3.05,4.69,;-4.38,3.92,;-4.38,2.38,;-5.72,1.61,;-7.05,2.38,)|
Structure:
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