Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM269579
Substrate
n/a
Meas. Tech.
[35S]GTPgammaS Binding Assay
pH
7.5±n/a
EC50
0.570±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:
BDBM269579
Synonyms:
(1R,2S)-N-(4-(2,6-dimethoxyphenyl)-5-(5-methyl-3-pyridinyl)-4H-1,2,4-triazol-3-yl)-1-(1-methylethoxy)-1-(5-methyl-2-pyrimidinyl)-2-propanesulfonamide | US10058550, Example 93.0 | US10221162, Example 93.0 | US9845310, Example 93.0
Type:
Small organic molecule
Emp. Form.:
C27H33N7O5S
Mol. Mass.:
567.66
SMILES:
COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@@H](C)[C@H](OC(C)C)c2ncc(C)cn2)nnc1-c1cncc(C)c1 |r,wU:16.17,18.19,(-6.76,2.38,;-5.43,1.61,;-4.09,2.38,;-4.09,3.92,;-2.76,4.69,;-1.42,3.92,;-1.42,2.38,;-.09,1.61,;1.24,2.38,;-2.76,1.61,;-2.76,.07,;-1.51,-.84,;-.18,-.07,;1.15,-.84,;.38,-2.17,;1.92,-2.17,;2.49,-.07,;2.49,1.47,;3.82,-.84,;3.82,-2.38,;5.16,-3.15,;6.49,-2.38,;5.16,-4.69,;5.16,-.07,;6.49,-.84,;7.82,-.07,;7.82,1.47,;9.16,2.24,;6.49,2.24,;5.16,1.47,;-1.99,-2.3,;-3.53,-2.3,;-4,-.84,;-5.49,-.44,;-5.89,1.05,;-7.38,1.45,;-8.47,.36,;-8.07,-1.13,;-9.16,-2.22,;-6.58,-1.53,)|
Structure:
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