Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM310235
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:
BDBM310235
Synonyms:
US10150760, Example 22.0 | US10150760, Example 23.0
Type:
Small organic molecule
Emp. Form.:
C22H26F2N6O3S
Mol. Mass.:
492.542
SMILES:
C[C@@H]([C@H](C)S(=O)(=O)Nc1nnc([C@@H]2CCCOC2)n1-c1c(F)cccc1F)c1ncc(C)cn1 |r,wU:2.2,1.0,wD:12.11,(3.56,1.09,;3.56,2.63,;2.22,3.4,;2.22,4.94,;.89,2.63,;2.22,1.86,;-.45,1.86,;-.45,3.4,;-1.78,2.63,;-2.25,1.16,;-3.79,1.16,;-4.27,2.63,;-5.81,2.63,;-6.58,1.29,;-8.12,1.29,;-8.89,2.63,;-8.12,3.96,;-6.58,3.96,;-3.02,3.53,;-3.02,5.07,;-4.36,5.84,;-5.69,5.07,;-4.36,7.38,;-3.02,8.15,;-1.69,7.38,;-1.69,5.84,;-.36,5.07,;4.89,3.4,;6.22,2.63,;7.56,3.4,;7.56,4.94,;8.89,5.71,;6.22,5.71,;4.89,4.94,)|
Structure:
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