Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM310233
Substrate
n/a
Meas. Tech.
[35S]GTPgammaS Binding
EC50
110±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:
BDBM310233
Synonyms:
US10150760, Example 20.0 | US10150760, Example 21.0
Type:
Small organic molecule
Emp. Form.:
C21H24F2N6O3S
Mol. Mass.:
478.515
SMILES:
C[C@@H]([C@H](C)S(=O)(=O)Nc1nnc([C@H]2CCOC2)n1-c1c(F)cccc1F)c1ncc(C)cn1 |r,wU:12.11,2.2,1.0,(3.2,1.09,;3.2,2.63,;1.87,3.4,;1.87,4.94,;.53,2.63,;1.87,1.86,;-.8,1.86,;-.8,3.4,;-2.13,2.63,;-2.61,1.16,;-4.15,1.16,;-4.63,2.63,;-6.17,2.63,;-7.07,1.38,;-8.54,1.86,;-8.54,3.4,;-7.07,3.87,;-3.38,3.53,;-3.38,5.07,;-4.71,5.84,;-6.05,5.07,;-4.71,7.38,;-3.38,8.15,;-2.05,7.38,;-2.05,5.84,;-.71,5.07,;4.53,3.4,;5.87,2.63,;7.2,3.4,;7.2,4.94,;8.54,5.71,;5.87,5.71,;4.53,4.94,)|
Structure:
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