Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM481022
Substrate
n/a
Meas. Tech.
[35S]GTPγS Binding Assay
EC50
17.0±n/a nM
Citation
 Chen, N; Chen, Y; Debenedetto, MV; Dransfield, PJ; Harvey, JS; Heath, JA; Houze, J; Khakoo, AY; Lai, S; Ma, Z; Nishimura, N; Pattaropong, V; Swaminath, G; Yeh, W; Kreiman, C Triazole phenyl compounds as agonists of the APJ receptor US Patent  US10906890 Publication Date 2/2/2021 
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:
BDBM481022
Synonyms:
US10906890, Example 31.0 | US10906890, Example 32.0
Type:
Small organic molecule
Emp. Form.:
C23H24ClN9O4S
Mol. Mass.:
558.013
SMILES:
COc1ncnc(OC)c1-n1c(NS(=O)(=O)[C@H]2CCCN(C2)c2ncc(Cl)cn2)nnc1-c1ccccc1 |r,wU:16.16,(-7.9,1.3,;-6.57,.53,;-5.24,1.3,;-5.24,2.84,;-3.9,3.61,;-2.57,2.84,;-2.57,1.3,;-1.24,.53,;.1,1.3,;-3.9,.53,;-3.9,-1.01,;-2.66,-1.91,;-1.19,-1.44,;-.05,-2.47,;1.1,-3.5,;-1.08,-3.61,;.98,-1.32,;.51,.14,;1.54,1.29,;3.04,.97,;3.52,-.5,;2.49,-1.64,;5.02,-.82,;5.5,-2.28,;7.01,-2.6,;8.04,-1.46,;9.54,-1.78,;7.56,.01,;6.06,.33,;-3.13,-3.38,;-4.67,-3.38,;-5.15,-1.91,;-6.61,-1.44,;-6.93,.07,;-8.4,.55,;-9.54,-.49,;-9.22,-1.99,;-7.76,-2.47,)|
Structure:
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