Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM270026
Substrate
n/a
Meas. Tech.
[35S]GTPgammaS Binding Assay
pH
7.5±n/a
EC50
5.10±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:
BDBM270026
Synonyms:
(1S,2R)—N-(4-(2,6-dimethoxyphenyl)-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl)-1-methoxy-1-(5-methyl-2-pyrazinyl)-2-propanesulfonamide or (1R,2S)—N-(4-(2,6-dimethoxyphenyl)-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl)-1-methoxy-1-(5-methyl-2-pyrazinyl)-2-propanesulfonamide | US10058550, Example 581.0
Type:
Small organic molecule
Emp. Form.:
C24H27N7O5S
Mol. Mass.:
525.58
SMILES:
CO[C@H]([C@@H](C)S(=O)(=O)Nc1nnc(-c2cccnc2)n1-c1c(OC)cccc1OC)c1cnc(C)cn1 |r,wD:3.3,2.1,(5.26,-9.87,;6.03,-8.53,;5.26,-7.2,;3.72,-7.2,;2.95,-5.87,;2.95,-8.53,;2.18,-9.87,;4.28,-9.3,;1.62,-7.76,;.28,-8.53,;.28,-10.07,;-1.18,-10.55,;-2.09,-9.3,;-3.57,-8.91,;-4.66,-9.99,;-6.15,-9.6,;-6.55,-8.11,;-5.46,-7.02,;-3.97,-7.42,;-1.18,-8.06,;-2.01,-5.61,;-3.5,-5.22,;-4.59,-6.3,;-6.08,-5.91,;-3.9,-3.73,;-2.81,-2.64,;-1.32,-3.04,;-.92,-4.53,;.56,-4.92,;1.65,-3.84,;6.03,-5.87,;7.57,-5.87,;8.34,-4.53,;7.57,-3.2,;8.34,-1.87,;6.03,-3.2,;5.26,-4.53,)|
Structure:
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