Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM269881
Substrate
n/a
Meas. Tech.
[35S]GTPgammaS Binding Assay
pH
7.5±n/a
EC50
25.0±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:
BDBM269881
Synonyms:
(1S,2S)—N-(4-(2,6-dimethoxyphenyl)-5-(5-methylpyridin-3-yl)-4H-1,2,4-triazol-3-yl)-1-(2-hydroxy-2-methylpropoxy)-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide or (1R,2R)—N-(4-(2,6-dimethoxyphenyl)-5-(5-methylpyridin-3-yl)-4H-1,2,4-triazol-3-yl)-1-(2-hydroxy-2-methylpropoxy)-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide | US10058550, Example 411.0 | US10058550, Example 412.0 | US10221162, Example 412.0 | US9845310, Example 412.0
Type:
Small organic molecule
Emp. Form.:
C28H35N7O6S
Mol. Mass.:
597.686
SMILES:
COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@H](C)[C@H](OCC(C)(C)O)c2ncc(C)cn2)nnc1-c1cncc(C)c1 |r,wU:18.19,wD:16.17,(1.28,-3.3,;-.05,-4.07,;-1.39,-3.3,;-1.44,-1.74,;-2.77,-.97,;-4.1,-1.74,;-4.1,-3.28,;-5.44,-4.05,;-6.77,-3.28,;-2.77,-4.05,;-2.77,-5.77,;-1.52,-6.67,;-.19,-5.9,;1.14,-6.67,;1.91,-8.01,;.37,-8.01,;2.48,-5.9,;2.48,-4.36,;3.81,-6.67,;3.81,-8.21,;5.14,-8.98,;5.14,-10.52,;6.48,-11.29,;5.14,-12.06,;3.81,-11.29,;5.14,-5.9,;5.14,-4.36,;6.48,-3.59,;7.81,-4.36,;9.15,-3.59,;7.81,-5.9,;6.48,-6.67,;-2,-8.14,;-3.54,-8.14,;-4.02,-6.67,;-5.35,-5.9,;-6.12,-7.24,;-7.66,-7.24,;-8.43,-5.9,;-7.66,-4.57,;-8.43,-3.24,;-6.12,-4.57,)|
Structure:
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