Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM270081
Substrate
n/a
Meas. Tech.
[35S]GTPgammaS Binding Assay
pH
7.5±n/a
EC50
1.70±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:
BDBM270081
Synonyms:
(2S,3S)—N-(4-(2,6-dimethoxyphenyl)-5-(5-methylpyridin-3-yl)-4H-1,2,4-triazol-3-yl)-3-(4-methyl-1H-pyrazol-1-yl)butane-2-sulfonamide and (2R,3R)—N-(4-(2,6-dimethoxyphenyl)-5-(5-methylpyridin-3-yl)-4H-1,2,4-triazol-3-yl)-3-(4-methyl-1H-pyrazol-1-yl)butane-2-sulfonamide and (2S,3R)—N-(4-(2,6-dimethoxyphenyl)-5-(5-methylpyridin-3-yl)-4H-1,2,4-triazol-3-yl)-3-(4-methyl-1H-pyrazol-1-yl)butane-2-sulfonamide | US10058550, Example 647.0 | US10221162, Example 647.0 | US9845310, Example 647.0
Type:
Small organic molecule
Emp. Form.:
C24H29N7O4S
Mol. Mass.:
511.597
SMILES:
COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@@H](C)[C@H](C)n2cc(C)cn2)nnc1-c1cncc(C)c1 |r,wU:16.17,18.19,(-6.8,1.89,;-5.47,1.12,;-4.13,1.89,;-4.13,3.43,;-2.8,4.2,;-1.47,3.43,;-1.47,1.89,;-.13,1.12,;1.2,1.89,;-2.8,1.12,;-2.8,-.42,;-1.55,-1.33,;-.01,-1.33,;.76,-2.66,;1.15,-4.15,;-.58,-3.43,;2.09,-1.89,;2.09,-.35,;3.42,-2.66,;3.42,-4.2,;4.76,-1.89,;6.22,-2.37,;7.13,-1.12,;8.67,-1.12,;6.22,.13,;4.76,-.35,;-2.03,-2.79,;-3.57,-2.79,;-4.05,-1.33,;-5.59,-1.33,;-6.36,-2.66,;-7.9,-2.66,;-8.67,-1.33,;-7.9,.01,;-8.67,1.34,;-6.36,.01,)|
Structure:
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