Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM269575
Substrate
n/a
Meas. Tech.
[35S]GTPgammaS Binding Assay
pH
7.5±n/a
EC50
11.0±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:
BDBM269575
Synonyms:
(1S,2R)-1-(5-chloro-2-pyrimidinyl)-N-(4-(2,6-dimethoxyphenyl)-5-(6-methyl-2-pyridinyl)-4H-1,2,4-triazol-3-yl)-1-methoxy-2-propanesulfonamide | US10058550, Example 89.0 | US10221162, Example 89.0 | US9845310, Example 89.0
Type:
Small organic molecule
Emp. Form.:
C24H26ClN7O5S
Mol. Mass.:
560.025
SMILES:
CO[C@H]([C@@H](C)S(=O)(=O)Nc1nnc(-c2cccc(C)n2)n1-c1c(OC)cccc1OC)c1ncc(Cl)cn1 |r,wU:3.3,2.1,(1.75,-6.11,;.85,-4.86,;-.69,-5.02,;-1.59,-3.78,;-3.12,-3.94,;-.96,-2.37,;-2.37,-1.74,;.44,-3,;-.34,-.96,;-1.24,.28,;-2.78,.28,;-3.26,1.75,;-2.01,2.65,;-2.01,4.19,;-3.35,4.96,;-3.35,6.5,;-2.01,7.27,;-.68,6.5,;.65,7.27,;-.68,4.96,;-.77,1.75,;.7,2.22,;1.84,1.19,;1.52,-.31,;2.67,-1.34,;3.31,1.67,;3.63,3.18,;2.48,4.21,;1.02,3.73,;-.13,4.76,;.19,6.27,;-1.31,-6.43,;-2.84,-6.59,;-3.47,-8,;-2.56,-9.24,;-3.19,-10.65,;-1.03,-9.08,;-.41,-7.68,)|
Structure:
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