Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM270092
Substrate
n/a
Meas. Tech.
[35S]GTPgammaS Binding Assay
pH
7.5±n/a
EC50
6.80±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:
BDBM270092
Synonyms:
(2S,3R)-N-(4-(2,6-dimethoxyphenyl)-5-(6-methoxy-2-pyridinyl)-4H-1,2,4-triazol-3-yl)-3-(4-methyl-1H-pyrazol-1-yl)-2-butanesulfonamide, (2R,3S)-N-(4-(2,6-dimethoxyphenyl)-5-(6-methoxy-2-pyridinyl)-4H-1,2,4-triazol-3-yl)-3-(4-methyl-1H-pyrazol-1-yl)-2-butanesulfonamide, (2S,3S)-N-(4-(2,6-dimethoxyphenyl)-5-(6-methoxy-2-pyridinyl)-4H-1,2,4-triazol-3-yl)-3-(4-methyl-1H-pyrazol-1-yl)-2-butanesulfonamide | US10058550, Example 658.0 | US10058550, Example 659.0 | US10058550, Example 660.0 | US10058550, Example 661.0 | US10221162, Example 661.0 | US9845310, Example 661.0
Type:
Small organic molecule
Emp. Form.:
C24H29N7O5S
Mol. Mass.:
527.596
SMILES:
COc1cccc(n1)-c1nnc(NS(=O)(=O)[C@@H](C)[C@@H](C)n2cc(C)cn2)n1-c1c(OC)cccc1OC |r,wU:16.17,wD:18.19,(-7.9,-4.76,;-8.67,-3.43,;-7.9,-2.1,;-8.67,-.76,;-7.9,.57,;-6.36,.57,;-5.59,-.76,;-6.36,-2.1,;-4.05,-.76,;-3.57,-2.23,;-2.03,-2.23,;-1.55,-.76,;-.01,-.76,;.76,-2.1,;1.15,-3.58,;-.58,-2.87,;2.09,-1.33,;2.09,.21,;3.42,-2.1,;3.42,-3.64,;4.76,-1.33,;6.22,-1.8,;7.13,-.56,;8.67,-.56,;6.22,.69,;4.76,.21,;-2.8,.14,;-2.8,1.68,;-4.13,2.45,;-5.47,1.68,;-6.8,2.45,;-4.13,3.99,;-2.8,4.76,;-1.47,3.99,;-1.47,2.45,;-.13,1.68,;1.2,2.45,)|
Structure:
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