Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM269930
Substrate
n/a
Meas. Tech.
[35S]GTPgammaS Binding Assay
pH
7.5±n/a
EC50
47.0±n/a nM
Comments
extracted
Citation
 Chen, N; Chen, X; Chen, Y; Fu, Z; Heath, JA; Horne, DB; Kaller, MR; Khakoo, AY; Kopecky, DJ; Ma, Z; Mihalic, JT; Swaminath, G; Wang, X; Yeh, W Methods of treating heart failure US Patent  US10058550 Publication Date 8/28/2018 
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:
BDBM269930
Synonyms:
(3R,5S)—N-(4-(2,6-dimethoxyphenyl)-5-(6-methyl-2-pyridinyl)-4H-1,2,4-triazol-3-yl)-1-(5-fluoro-2-pyrimidinyl)-5-hydroxy-3-piperidinesulfonamide or (3S,5R)—N-(4-(2,6-dimethoxyphenyl)-5-(6-methyl-2-pyridinyl)-4H-1,2,4-triazol-3-yl)-1-(5-fluoro-2-pyrimidinyl)-5-hydroxy-3-piperidinesulfonamide | US10058550, Example 463.0 | US10058550, Example 464.0 | US9845310, Example 464.0
Type:
Small organic molecule
Emp. Form.:
C25H27FN8O5S
Mol. Mass.:
570.596
SMILES:
COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@@H]2C[C@H](O)CN(C2)c2ncc(F)cn2)nnc1-c1cccc(C)n1 |r,wD:16.16,18.19,(.62,-4.58,;-.71,-5.35,;-2.05,-4.58,;-2.05,-3.04,;-3.38,-2.27,;-4.71,-3.04,;-4.71,-4.58,;-6.05,-5.35,;-7.38,-4.58,;-3.38,-5.35,;-3.38,-6.89,;-2.13,-7.8,;-.8,-7.03,;.53,-7.8,;-.24,-9.13,;1.3,-9.13,;1.87,-7.03,;1.87,-5.49,;3.2,-4.72,;3.2,-3.18,;4.53,-5.49,;4.53,-7.03,;3.2,-7.8,;5.87,-7.8,;5.87,-9.34,;7.2,-10.11,;8.54,-9.34,;9.87,-10.11,;8.54,-7.8,;7.2,-7.03,;-2.61,-9.26,;-4.15,-9.26,;-4.63,-7.8,;-6.11,-7.4,;-6.51,-5.91,;-8,-5.51,;-9.09,-6.6,;-8.69,-8.09,;-9.78,-9.18,;-7.2,-8.49,)|
Structure:
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