Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM270101
Substrate
n/a
Meas. Tech.
[35S]GTPgammaS Binding Assay
pH
7.5±n/a
EC50
2.60±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:
BDBM270101
Synonyms:
(1R,2S)-N-(4-(2-(difluoromethoxy)-6-methoxyphenyl)-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl)-1-methoxy-1-(5-methyl-2-pyrimidinyl)-2-propanesulfonamide | US10058550, Example 667.0 | US10221162, Example 667.0 | US9845310, Example 667.0
Type:
Small organic molecule
Emp. Form.:
C24H25F2N7O5S
Mol. Mass.:
561.561
SMILES:
CO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cccnc2)n1-c1c(OC)cccc1OC(F)F)c1ncc(C)cn1 |r,wU:2.1,3.3,(6.67,-2.33,;5.13,-2.33,;4.36,-.99,;2.82,-.99,;2.05,.34,;2.05,-2.33,;1.28,-3.66,;3.39,-3.1,;.72,-1.56,;-.61,-2.33,;-.61,-3.87,;-2.08,-4.34,;-2.98,-3.1,;-4.47,-2.7,;-4.87,-1.21,;-6.36,-.81,;-7.44,-1.9,;-7.05,-3.39,;-5.56,-3.79,;-2.08,-1.85,;-2.76,.21,;-4.25,.61,;-5.34,-.48,;-6.83,-.08,;-4.65,2.1,;-3.56,3.19,;-2.07,2.79,;-1.68,1.3,;-.19,.9,;.58,2.24,;2.12,2.24,;-.19,3.57,;5.13,.34,;4.36,1.67,;5.13,3.01,;6.67,3.01,;7.44,4.34,;7.44,1.67,;6.67,.34,)|
Structure:
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