Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM310250
Substrate
n/a
Meas. Tech.
[35S]GTPgammaS Binding
EC50
510±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:
BDBM310250
Synonyms:
Preparation (1R,2S)-N-(4-(2,6-dimethoxyphenyl)-5-((R)-pyrrolidin-3-yl)-4H-1,2,4-triazol-3-yl)-1-methoxy-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide and (1R,2S)-N-(4-(2,6-dimethoxyphenyl)-5-((S)-pyrrolidin-3-yl)-4H-1,2,4-triazol-3-yl)-1-methoxy-1-(5-methylpyrimidin-2-yl)propane-2-sulfonamide | US10150760, Example 45.0
Type:
Small organic molecule
Emp. Form.:
C23H31N7O5S
Mol. Mass.:
517.601
SMILES:
CO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc([C@@H]2CCNC2)n1-c1c(OC)cccc1OC)c1ncc(C)cn1 |r,wU:13.12,3.3,2.1,(4.3,1.33,;2.96,2.1,;2.96,3.64,;1.63,4.41,;1.63,5.95,;.3,3.64,;-.47,2.3,;1.07,2.3,;-1.04,4.41,;-2.37,3.64,;-2.85,2.17,;-4.39,2.17,;-4.86,3.64,;-6.35,4.04,;-6.83,5.5,;-8.37,5.5,;-8.84,4.04,;-7.6,3.13,;-3.62,4.54,;-3.62,6.08,;-4.95,6.85,;-6.28,6.08,;-7.62,6.85,;-4.95,8.39,;-3.62,9.16,;-2.28,8.39,;-2.28,6.85,;-.95,6.08,;.39,6.85,;4.3,4.41,;5.63,3.64,;6.97,4.41,;6.97,5.95,;8.3,6.72,;5.63,6.72,;4.3,5.95,)|
Structure:
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