Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM310226
Substrate
n/a
Meas. Tech.
[35S]GTPgammaS Binding
EC50
400±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:
BDBM310226
Synonyms:
US10150760, Example 6.0
Type:
Small organic molecule
Emp. Form.:
C21H25FN6O5S
Mol. Mass.:
492.524
SMILES:
COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@H](C)Cc2ncc(F)cn2)nnc1[C@@H]1CCOC1 |r,wU:29.31,wD:16.17,(.66,-12.82,;-.67,-13.59,;-2,-12.82,;-2,-11.28,;-3.34,-10.51,;-4.67,-11.28,;-4.67,-12.82,;-6,-13.59,;-7.34,-12.82,;-3.34,-13.59,;-3.34,-15.13,;-2.09,-16.03,;-.76,-15.26,;.58,-16.03,;-.76,-16.8,;1.91,-16.8,;1.91,-15.26,;1.91,-13.72,;3.24,-16.03,;4.58,-15.26,;5.91,-16.03,;7.25,-15.26,;7.25,-13.72,;8.58,-12.95,;5.91,-12.95,;4.58,-13.72,;-2.57,-17.5,;-4.11,-17.5,;-4.58,-16.03,;-6.12,-16.03,;-7.03,-14.79,;-8.49,-15.26,;-8.49,-16.8,;-7.03,-17.28,)|
Structure:
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