Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM310310
Substrate
n/a
Meas. Tech.
[35S]GTPgammaS Binding
EC50
53.0±n/a nM
Citation
 Chen, X; Cheng, AC; Connors, RV; Debenedetto, MV; Dransfield, PJ; Fu, Z; Harvey, JS; Heath, JA; Houze, J; Judd, TC; Kopecky, DJ; Lai, S; Ma, Z; Nishimura, N; Olson, SH; Pattaropong, V; Wang, X Compounds for use in preparing heterocyclic triazole agonists of the APJ receptor US Patent  US10150760 Publication Date 12/11/2018 
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:
BDBM310310
Synonyms:
US10150760, Example 106.0 | US10150760, Example 107.0
Type:
Small organic molecule
Emp. Form.:
C24H32N6O5S
Mol. Mass.:
516.613
SMILES:
COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@@H](C)[C@H](C)c2cnc(C)cn2)nnc1[C@H]1CCCCO1 |r,wU:16.17,18.19,wD:30.32,(-7.1,1.22,;-5.77,.45,;-4.44,1.22,;-4.44,2.76,;-3.1,3.53,;-1.77,2.76,;-1.77,1.22,;-.44,.45,;.9,1.22,;-3.1,.45,;-3.1,-1.09,;-1.86,-1.99,;-.52,-1.22,;.81,-1.99,;.04,-3.33,;1.58,-3.33,;2.14,-1.22,;2.14,.32,;3.48,-1.99,;3.48,-3.53,;4.81,-1.22,;4.81,.32,;6.14,1.09,;7.48,.32,;8.81,1.09,;7.48,-1.22,;6.14,-1.99,;-2.33,-3.46,;-3.87,-3.46,;-4.35,-1.99,;-5.84,-1.59,;-6.24,-.11,;-7.72,.29,;-8.81,-.8,;-8.41,-2.28,;-6.93,-2.68,)|
Structure:
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