Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM528356
Substrate
n/a
Meas. Tech.
[35S]GTPγS Binding
EC50
240±n/a nM
Citation
 Chen, Y; Debenedetto, MV; Dransfield, PJ; Harvey, JS; Houze, J; Khakoo, AY; Lai, S; Ma, Z; Nishimura, N; Pattaropong, V; Swaminath, G; Yeh, W; Ramsden, PD; Sharma, A Alkyl substituted triazole compounds as agonists of the APJ Receptor US Patent  US11191762 Publication Date 12/7/2021 
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:
BDBM528356
Synonyms:
US11191762, Example 1.0
Type:
Small organic molecule
Emp. Form.:
C21H29ClN8O4S
Mol. Mass.:
525.024
SMILES:
COc1ncnc(OC)c1-n1c(CC(C)(C)C)nnc1NS(=O)(=O)[C@@H](C)[C@H](C)c1ncc(Cl)cn1 |r,wU:24.26,26.28,(1.28,1.54,;-.06,.77,;-1.39,1.54,;-1.39,3.08,;-2.72,3.85,;-4.06,3.08,;-4.06,1.54,;-5.39,.77,;-6.72,1.54,;-2.72,.77,;-2.72,-.77,;-3.97,-1.67,;-5.46,-1.28,;-6.54,-2.36,;-6.15,-3.85,;-8.03,-1.97,;-7.63,-3.45,;-3.49,-3.14,;-1.95,-3.14,;-1.48,-1.67,;.01,-1.28,;1.1,-2.36,;1.87,-3.7,;.33,-3.7,;2.19,-1.28,;1.79,.21,;3.68,-1.67,;4.08,-3.16,;4.77,-.58,;6.25,-.98,;7.34,.11,;6.94,1.59,;8.03,2.68,;5.46,1.99,;4.37,.9,)|
Structure:
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