Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM269837
Substrate
n/a
Meas. Tech.
[35S]GTPgammaS Binding Assay
pH
7.5±n/a
EC50
10.00±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:
BDBM269837
Synonyms:
(1R,2R)—N-(4-(2,6-dimethoxyphenyl)-5-(5-methylpyridin-3-yl)-4H-1,2,4-triazol-3-yl)-1-(5-fluoropyrimidin-2-yl)-1-methoxypropane-2-sulfonamide or (1S,2S)—N-(4-(2,6-dimethoxyphenyl)-5-(5-methylpyridin-3-yl)-4H-1,2,4-triazol-3-yl)-1-(5-fluoropyrimidin-2-yl)-1-methoxypropane-2-sulfonamide | US10058550, Example 360.0 | US10058550, Example 361.0 | US10221162, Example 361.0 | US9845310, Example 361.0
Type:
Small organic molecule
Emp. Form.:
C24H26FN7O5S
Mol. Mass.:
543.571
SMILES:
CO[C@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cncc(C)c2)n1-c1c(OC)cccc1OC)c1ncc(F)cn1 |r,wU:3.3,wD:2.1,(3.03,-11.82,;4.36,-11.05,;4.36,-9.51,;3.03,-8.74,;3.03,-7.2,;1.69,-9.51,;.92,-10.85,;2.46,-10.85,;.36,-8.74,;-.98,-9.51,;-1.45,-10.98,;-2.99,-10.98,;-3.47,-9.51,;-4.95,-9.11,;-5.72,-10.45,;-7.26,-10.45,;-8.03,-9.11,;-7.26,-7.78,;-8.03,-6.45,;-5.72,-7.78,;-2.22,-8.61,;-2.22,-7.07,;-.84,-6.32,;.49,-7.09,;1.83,-6.32,;-.89,-4.76,;-2.22,-3.99,;-3.56,-4.76,;-3.56,-6.3,;-4.89,-7.07,;-6.22,-6.3,;5.69,-8.74,;7.03,-9.51,;8.36,-8.74,;8.36,-7.2,;9.69,-6.43,;7.03,-6.43,;5.69,-7.2,)|
Structure:
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