Reaction Details
Report a problem with these data
Report a problem with these dataTarget
Apelin receptor
Ligand
BDBM270010
Substrate
n/a
Meas. Tech.
[35S]GTPgammaS Binding Assay
EC50
2.50±n/a nM
Citation
Chen, N; Chen, X; Chen, Y; Cheng, AC; Connors, RV; Deignan, J; Dransfield, PJ; Du, X; Fu, Z; Heath, JA; Horne, DB; Houze, J; Kaller, MR; Khakoo, AY; Kopecky, DJ; Lai, S; Ma, Z; McGee, LR; Medina, JC; Mihalic, JT; Nishimura, N; Olson, SH; Pattaropong, V; Swaminath, G; Wang, X; Yang, K; Yeh, W; Debenedetto, MV; Farrell, RP; Hedley, SJ; Judd, TC; Kayser, F Triazole agonists of the APJ receptor US Patent US10221162 Publication Date 3/5/2019 More Info.:
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:
BDBM270010
Synonyms:
(1S,2R)-1-(5-chloro-2-pyrimidinyl)-N-(4-(2,6-dimethoxyphenyl)-5-(5-methyl-3-pyridinyl)-4H-1,2,4-triazol-3-yl)-1-methoxy-2-propanesulfonamide or (1R,2R)-1-(5-chloro-2-pyrimidinyl)-N-(4-(2,6-dimethoxyphenyl)-5-(5-methyl-3-pyridinyl)-4H-1,2,4-triazol-3-yl)-1-methoxy-2-propanesulfonamide or (1S,2S)-1-(5-chloro-2-pyrimidinyl)-N-(4-(2,6-dimethoxyphenyl)-5-(5-methyl-3-pyridinyl)-4H-1,2,4-triazol-3-yl)-1-methoxy-2-propanesulfonamide | US10058550, Example 557.0 | US10058550, Example 558.0 | US10058550, Example 559.0 | US10058550, Example 560.0 | US10221162, Example 560.0
Type:
Small organic molecule
Emp. Form.:
C24H26ClN7O5S
Mol. Mass.:
560.025
SMILES:
CO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cncc(C)c2)n1-c1c(OC)cccc1OC)c1ncc(Cl)cn1 |r,wU:3.3,2.1,(5.04,-21.28,;5.81,-19.95,;5.04,-18.62,;3.5,-18.62,;2.73,-17.28,;2.73,-19.95,;1.96,-21.28,;4.07,-20.72,;1.4,-19.18,;.07,-19.95,;.07,-21.49,;-1.4,-21.97,;-2.3,-20.72,;-3.84,-20.72,;-4.61,-19.39,;-6.15,-19.39,;-6.92,-20.72,;-6.15,-22.05,;-6.92,-23.39,;-4.61,-22.05,;-1.4,-19.48,;-1.91,-17.63,;-3.39,-17.23,;-4.48,-18.32,;-5.97,-17.92,;-3.79,-15.74,;-2.7,-14.65,;-1.22,-15.05,;-.82,-16.54,;.67,-16.94,;1.76,-15.85,;5.81,-17.28,;7.35,-17.28,;8.12,-15.95,;7.35,-14.62,;8.12,-13.28,;5.81,-14.62,;5.04,-15.95,)|
Structure:
