Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM310232
Substrate
n/a
Meas. Tech.
[35S]GTPgammaS Binding
EC50
60.0±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:
BDBM310232
Synonyms:
US10150760, Example 19.0
Type:
Small organic molecule
Emp. Form.:
C21H24F2N6O3S
Mol. Mass.:
478.515
SMILES:
C[C@@H]([C@H](C)S(=O)(=O)Nc1nnc([C@H]2CCCO2)n1-c1c(F)cccc1F)c1ncc(C)cn1 |r,wU:12.11,2.2,1.0,(3.2,-3.53,;3.2,-1.99,;1.87,-1.22,;1.87,.32,;.53,-1.99,;1.87,-2.76,;-.8,-2.76,;-.8,-1.22,;-2.13,-1.99,;-2.61,-3.46,;-4.15,-3.46,;-4.63,-1.99,;-6.17,-1.99,;-7.07,-3.24,;-8.54,-2.76,;-8.54,-1.22,;-7.07,-.75,;-3.38,-1.09,;-3.38,.45,;-4.71,1.22,;-6.05,.45,;-4.71,2.76,;-3.38,3.53,;-2.05,2.76,;-2.05,1.22,;-.71,.45,;4.53,-1.22,;5.87,-1.99,;7.2,-1.22,;7.2,.32,;8.54,1.09,;5.87,1.09,;4.53,.32,)|
Structure:
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