Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM269571
Substrate
n/a
Meas. Tech.
[35S]GTPgammaS Binding Assay
pH
7.5±n/a
EC50
5.20±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:
BDBM269571
Synonyms:
(2S,3R)-N-(4-(2,6-dimethoxyphenyl)-5-(2-methyl-4-pyridinyl)-4H-1,2,4-triazol-3-yl)-3-(5-methyl-2-pyrimidinyl)-2-butanesulfonamide | US10058550, Example 85.0 | US10221162, Example 85.0 | US9845310, Example 85.0
Type:
Small organic molecule
Emp. Form.:
C25H29N7O4S
Mol. Mass.:
523.607
SMILES:
COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@@H](C)[C@H](C)c2ncc(C)cn2)nnc1-c1ccnc(C)c1 |r,wU:16.17,18.19,(-6.76,1.22,;-5.43,.45,;-4.09,1.22,;-4.09,2.76,;-2.76,3.53,;-1.42,2.76,;-1.42,1.22,;-.09,.45,;1.24,1.22,;-2.76,.45,;-2.76,-1.09,;-1.51,-1.99,;-.18,-1.22,;1.15,-1.99,;.38,-3.33,;1.92,-3.33,;2.49,-1.22,;2.49,.32,;3.82,-1.99,;3.82,-3.53,;5.16,-1.22,;6.49,-1.99,;7.82,-1.22,;7.82,.32,;9.16,1.09,;6.49,1.09,;5.16,.32,;-1.99,-3.46,;-3.53,-3.46,;-4,-1.99,;-5.49,-1.59,;-5.89,-.11,;-7.38,.29,;-8.47,-.8,;-8.07,-2.28,;-9.16,-3.37,;-6.58,-2.68,)|
Structure:
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