Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM270075
Substrate
n/a
Meas. Tech.
[35S]GTPgammaS Binding Assay
pH
7.5±n/a
EC50
0.140±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:
BDBM270075
Synonyms:
(2S,3R)-N-(4-(2,6-dimethoxyphenyl)-5-(6-(methylamino)-2-pyridinyl)-4H-1,2,4-triazol-3-yl)-3-(5-fluoro-2-pyrimidinyl)-2-butanesulfonamide | US10058550, Example 641.0 | US10221162, Example 641.0 | US9845310, Example 641.0
Type:
Small organic molecule
Emp. Form.:
C24H27FN8O4S
Mol. Mass.:
542.586
SMILES:
CNc1cccc(n1)-c1nnc(NS(=O)(=O)[C@@H](C)[C@H](C)c2ncc(F)cn2)n1-c1c(OC)cccc1OC |r,wU:16.17,18.19,(-9.97,-4.1,;-8.43,-4.1,;-7.66,-2.76,;-8.43,-1.43,;-7.66,-.1,;-6.12,-.1,;-5.35,-1.43,;-6.12,-2.76,;-3.81,-1.43,;-3.33,-2.89,;-1.79,-2.89,;-1.32,-1.43,;.02,-.66,;1.35,-1.43,;2.12,-2.76,;.58,-2.76,;2.68,-.66,;2.68,.88,;4.02,-1.43,;4.02,-2.97,;5.51,-1.03,;6.59,-2.12,;8.08,-1.72,;8.48,-.23,;9.97,.17,;7.39,.86,;5.9,.46,;-2.56,-.52,;-2.56,1.02,;-3.9,1.79,;-5.23,1.02,;-6.56,1.79,;-3.9,3.33,;-2.56,4.1,;-1.23,3.33,;-1.23,1.79,;.1,1.02,;1.44,1.79,)|
Structure:
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