Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM270158
Substrate
n/a
Meas. Tech.
[35S]GTPγS Binding
EC50
200±n/a nM
Citation
 Chen, N; Chen, X; Cheng, AC; Connors, RV; Deignan, J; Dransfield, PJ; Du, X; Fu, Z; Heath, JA; Horne, DB; Houze, J; Kaller, MR; Kopecky, DJ; Lai, S; Ma, Z; McGee, LR; Medina, JC; Mihalic, JT; Nishimura, N; Olson, SH; Pattaropong, V; Wang, X; Yang, K; Debenedetto, MV; Hedley, SJ Intermediates for preparing triazole agonists of the APJ receptor US Patent  US9845310 Publication Date 12/19/2017 
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:
BDBM270158
Synonyms:
(1R,2S)—N-(4-(2,6-dimethoxyphenyl)-5-(5-methylpyridin-3-yl)-4H-1,2,4-triazol-3-yl)-1-(3,3-dimethylcyclobutyl)-1-methoxypropane-2-sulfonamide or (1S,2R)—N-(4-(2,6-dimethoxyphenyl)-5-(5-methylpyridin-3-yl)-4H-1,2,4-triazol-3-yl)-1-(3,3-dimethylcyclobutyl)-1-methoxypropane-2-sulfonamide or (1S,2S)—N-(4-(2,6-dimethoxyphenyl)-5-(5-methylpyridin-3-yl)-4H-1,2,4-triazol-3-yl)-1-(3,3-dimethylcyclobutyl)-1-methoxypropane-2-sulfonamide | US10058550, Example 726.0 | US10221162, Example 727.0 | US9845310, Example 727.0
Type:
Small organic molecule
Emp. Form.:
C26H35N5O5S
Mol. Mass.:
529.652
SMILES:
CO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cncc(C)c2)n1-c1c(OC)cccc1OC)C1CC(C)(C)C1 |r,wU:3.3,2.1,(-4.52,.88,;-5.86,1.65,;-5.86,3.19,;-7.19,3.96,;-7.19,5.5,;-8.52,3.19,;-9.29,1.86,;-7.75,1.86,;-9.86,3.96,;-11.19,3.19,;-11.67,1.73,;-13.21,1.73,;-13.68,3.19,;-15.17,3.59,;-16.26,2.5,;-17.75,2.9,;-18.15,4.39,;-17.06,5.48,;-17.46,6.97,;-15.57,5.08,;-12.44,4.1,;-12.44,5.64,;-11.1,6.41,;-9.77,5.64,;-8.44,6.41,;-11.1,7.95,;-12.44,8.72,;-13.77,7.95,;-13.77,6.41,;-15.1,5.64,;-16.44,6.41,;-4.52,3.96,;-3.04,3.57,;-2.64,5.05,;-1.1,5.05,;-1.87,6.39,;-4.12,5.45,)|
Structure:
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