Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM270088
Substrate
n/a
Meas. Tech.
[35S]GTPgammaS Binding Assay
pH
7.5±n/a
EC50
150±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:
BDBM270088
Synonyms:
(2R,3R)-N-(4-(2,6-dimethoxyphenyl)-5-(6-methoxy-2-pyridinyl)-4H-1,2,4-triazol-3-yl)-2-(5-methyl-2-pyrimidinyl)tetrahydro-2H-pyran-3-sulfonamide, (2S,3S)-N-(4-(2,6-dimethoxyphenyl)-5-(6-methoxy-2-pyridinyl)-4H-1,2,4-triazol-3-yl)-2-(5-methyl-2-pyrimidinyl)tetrahydro-2H-pyran-3-sulfonamide, (2S,3R)-N-(4-(2,6-dimethoxyphenyl)-5-(6-methoxy-2-pyridinyl)-4H-1,2,4-triazol-3-yl)-2-(5-methyl-2-pyrimidinyl)tetrahydro-2H-pyran-3-sulfonamide | US10058550, Example 654.0 | US10058550, Example 655.0 | US10058550, Example 656.0 | US10058550, Example 657.0 | US10221162, Example 657.0 | US9845310, Example 657.0
Type:
Small organic molecule
Emp. Form.:
C26H29N7O6S
Mol. Mass.:
567.617
SMILES:
COc1cccc(n1)-c1nnc(NS(=O)(=O)[C@@H]2CCCO[C@@H]2c2ncc(C)cn2)n1-c1c(OC)cccc1OC |r,wD:16.16,21.23,(-6.42,-3.12,;-7.19,-1.79,;-6.42,-.45,;-7.19,.88,;-6.42,2.21,;-4.88,2.21,;-4.11,.88,;-4.88,-.45,;-2.57,.88,;-2.09,-.59,;-.55,-.59,;-.08,.88,;1.46,.88,;2.23,-.45,;2.63,-1.94,;.9,-1.22,;3.57,.32,;3.57,1.86,;4.9,2.63,;6.24,1.86,;6.24,.32,;4.9,-.45,;5.3,-1.94,;4.21,-3.03,;4.61,-4.52,;6.1,-4.92,;6.5,-6.4,;7.19,-3.83,;6.79,-2.34,;-1.32,1.78,;-1.32,3.32,;-2.65,4.09,;-3.99,3.32,;-5.32,4.09,;-2.65,5.63,;-1.32,6.4,;.01,5.63,;.01,4.09,;1.35,3.32,;2.68,4.09,)|
Structure:
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