Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM270096
Substrate
n/a
Meas. Tech.
[35S]GTPgammaS Binding Assay
pH
7.5±n/a
EC50
0.180±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:
BDBM270096
Synonyms:
(2R)-N-(4-(2,6-dimethoxyphenyl)-5-(6-(methylamino)-2-pyridinyl)-4H-1,2,4-triazol-3-yl)-1-(5-fluoro-2-pyrimidinyl)-2-propanesulfonamide, (2S)-N-(4-(2,6-dimethoxyphenyl)-5-(6-(methylamino)-2-pyridinyl)-4H-1,2,4-triazol-3-yl)-1-(5-fluoro-2-pyrimidinyl)-2-propanesulfonamide | US10058550, Example 662.0 | US10058550, Example 663.0
Type:
Small organic molecule
Emp. Form.:
C23H25FN8O4S
Mol. Mass.:
528.559
SMILES:
CNc1cccc(n1)-c1nnc(NS(=O)(=O)[C@@H](C)Cc2ncc(F)cn2)n1-c1c(OC)cccc1OC |r,wD:16.17,(-8.08,-4.76,;-8.85,-3.43,;-8.08,-2.1,;-8.85,-.76,;-8.08,.57,;-6.54,.57,;-5.77,-.76,;-6.54,-2.1,;-4.23,-.76,;-3.75,-2.23,;-2.21,-2.23,;-1.73,-.76,;-.4,.01,;.69,-1.08,;-.4,-2.17,;1.09,-2.57,;2.18,-1.48,;2.18,-3.02,;3.51,-.71,;4.84,-1.48,;4.84,-3.02,;6.18,-3.79,;7.51,-3.02,;8.85,-3.79,;7.51,-1.48,;6.18,-.71,;-2.98,.14,;-2.98,1.68,;-4.31,2.45,;-5.65,1.68,;-6.98,2.45,;-4.31,3.99,;-2.98,4.76,;-1.65,3.99,;-1.65,2.45,;-.31,1.68,;1.02,2.45,)|
Structure:
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