Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM269949
Substrate
n/a
Meas. Tech.
[35S]GTPgammaS Binding Assay
pH
7.5±n/a
EC50
0.200±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:
BDBM269949
Synonyms:
(2S)-2-(4-cyano-2-(methylsulfonyl)phenyl)-N-(4-(2,6-dimethoxyphenyl)-5-(6-methoxy-2-pyridinyl)-4H-1,2,4-triazol-3-yl)-2-hydroxyethanesulfonamide or (2R)-2-(4-cyano-2-(methylsulfonyl)phenyl)-N-(4-(2,6-dimethoxyphenyl)-5-(6-methoxy-2-pyridinyl)-4H-1,2,4-triazol-3-yl)-2-hydroxyethanesulfonamide | US10058550, Example 482.0 | US10058550, Example 483.0 | US10221162, Example 483.0 | US9845310, Example 483.0
Type:
Small organic molecule
Emp. Form.:
C26H26N6O8S2
Mol. Mass.:
614.65
SMILES:
COc1cccc(n1)-c1nnc(NS(=O)(=O)C[C@@H](O)c2ccc(cc2S(C)(=O)=O)C#N)n1-c1c(OC)cccc1OC |r,wD:17.18,(-9.15,-11.69,;-9.55,-10.2,;-8.46,-9.11,;-8.86,-7.62,;-7.77,-6.53,;-6.28,-6.93,;-5.88,-8.42,;-6.97,-9.51,;-4.39,-8.82,;-3.92,-10.28,;-2.38,-10.28,;-1.9,-8.82,;-.57,-8.05,;.77,-8.82,;1.54,-10.15,;-0,-10.15,;2.1,-8.05,;3.43,-8.82,;3.43,-10.36,;4.77,-8.05,;6.1,-8.82,;7.43,-8.05,;7.43,-6.51,;6.1,-5.74,;4.77,-6.51,;3.43,-5.74,;2.1,-6.51,;2.66,-4.4,;4.2,-4.4,;8.77,-5.74,;10.1,-4.97,;-3.15,-7.91,;-3.15,-6.37,;-4.48,-5.6,;-5.81,-6.37,;-7.15,-5.6,;-4.48,-4.06,;-3.15,-3.29,;-1.81,-4.06,;-1.81,-5.6,;-.48,-6.37,;.85,-5.6,)|
Structure:
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