Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM269515
Substrate
n/a
Meas. Tech.
[35S]GTPgammaS Binding Assay
pH
7.5±n/a
EC50
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:
BDBM269515
Synonyms:
(2R)-N-(4-(3,5-dimethyl-4-isoxazolyl)-5-(6-methoxy-2-pyridinyl)-4H-1,2,4-triazol-3-yl)-1-(5-fluoro-2-pyrimidinyl)-2-propanesulfonamide, (2S)-N-(4-(3,5-dimethyl-4-isoxazolyl)-5-(6-methoxy-2-pyridinyl)-4H-1,2,4-triazol-3-yl)-1-(5-fluoro-2-pyrimidinyl)-2-propanesulfonamide | US10058550, Example 32.0 | US10221162, Example 32.0 | US9845310, Example 32.0
Type:
Small organic molecule
Emp. Form.:
C20H21FN8O4S
Mol. Mass.:
488.495
SMILES:
COc1cccc(n1)-c1nnc(NS(=O)(=O)[C@H](C)Cc2ncc(F)cn2)n1-c1c(C)noc1C |r,wD:16.17,(-8.76,-3.84,;-9.16,-2.35,;-8.07,-1.27,;-8.47,.22,;-7.38,1.31,;-5.89,.91,;-5.49,-.57,;-6.58,-1.66,;-4,-.97,;-3.53,-2.44,;-1.99,-2.44,;-1.51,-.97,;-.18,-.2,;1.15,-.97,;.38,-2.31,;1.92,-2.31,;2.49,-.2,;2.49,1.34,;3.82,-.97,;5.16,-.2,;6.49,-.97,;7.82,-.2,;7.82,1.34,;9.16,2.11,;6.49,2.11,;5.16,1.34,;-2.76,-.07,;-2.76,1.47,;-1.51,2.38,;-.18,1.61,;-1.99,3.84,;-3.53,3.84,;-4,2.38,;-5.34,1.61,)|
Structure:
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