Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM270259
Substrate
n/a
Meas. Tech.
[35S]GTPγS Binding
EC50
10.00±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:
BDBM270259
Synonyms:
(1S,2S)—N-(4-(2,6-dimethoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)-1-(imidazo[1,2-a]pyridin-2-yl)-1-isopropoxypropane-2-sulfonamide or (1R,2R)—N-(4-(2,6-dimethoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)-1-(imidazo[1,2-a]pyridin-2-yl)-1-isopropoxypropane-2-sulfonamide | US10058550, Example 827.0 | US10058550, Example 828.0 | US10221162, Example 828.0 | US9845310, Example 828.0
Type:
Small organic molecule
Emp. Form.:
C28H31N7O5S
Mol. Mass.:
577.655
SMILES:
COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@H](C)[C@H](OC(C)C)c2cn3ccccc3n2)nnc1-c1cccnc1 |r,wU:18.19,wD:16.17,(-7.6,3.18,;-6.27,2.41,;-4.94,3.18,;-4.94,4.72,;-3.6,5.49,;-2.27,4.72,;-2.27,3.18,;-.94,2.41,;.4,3.18,;-3.6,2.41,;-3.6,.87,;-2.36,-.04,;-.87,.36,;.22,-.73,;-1.27,-1.13,;1.31,-1.82,;1.71,-.33,;2.11,1.16,;2.8,-1.42,;2.4,-2.91,;3.49,-4,;4.97,-3.6,;3.09,-5.49,;4.28,-1.02,;4.76,.44,;6.3,.44,;7.33,1.59,;8.84,1.27,;9.31,-.2,;8.28,-1.34,;6.77,-1.02,;5.53,-1.93,;-2.83,-1.5,;-4.37,-1.5,;-4.85,-.04,;-6.34,.36,;-6.74,1.85,;-8.22,2.24,;-9.31,1.16,;-8.91,-.33,;-7.43,-.73,)|
Structure:
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