Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM270100
Substrate
n/a
Meas. Tech.
[35S]GTPgammaS Binding Assay
pH
7.5±n/a
EC50
0.200±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:
BDBM270100
Synonyms:
(1R,2S,P)—N-(4-(2-(difluoromethoxy)-6-methoxyphenyl)-5-(6-methoxy-2-pyridinyl)-4H-1,2,4-triazol-3-yl)-1-methoxy-1-(5-methyl-2-pyrimidinyl)-2-propanesulfonamide and (1R,2S,M)-N-(4-(2-(difluoromethoxy)-6-methoxyphenyl)-5-(6-methoxy-2-pyridinyl)-4H-1,2,4-triazol-3-yl)-1-methoxy-1-(5-methyl-2-pyrimidinyl)-2-propanesulfonamide. | US10058550, Example 666.0 | US10221162, Example 691.0 | US9845310, Example 691.0
Type:
Small organic molecule
Emp. Form.:
C25H27F2N7O6S
Mol. Mass.:
591.587
SMILES:
CO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cccc(OC)n2)n1-c1c(OC)cccc1OC(F)F)c1ncc(C)cn1 |r,wU:2.1,3.3,(7.63,-2.14,;6.09,-2.14,;5.32,-.8,;3.78,-.8,;3.01,.53,;3.01,-2.14,;2.24,-3.47,;4.34,-2.91,;1.68,-1.37,;.34,-2.14,;.34,-3.68,;-1.12,-4.15,;-2.03,-2.91,;-3.51,-2.51,;-3.91,-1.02,;-5.4,-.62,;-6.49,-1.71,;-6.09,-3.2,;-6.86,-4.53,;-8.4,-4.53,;-4.6,-3.6,;-1.12,-1.66,;-1.81,.4,;-3.3,.8,;-4.39,-.29,;-5.87,.11,;-3.69,2.29,;-2.61,3.38,;-1.12,2.98,;-.72,1.49,;.77,1.09,;1.54,2.43,;3.08,2.43,;.77,3.76,;6.09,.53,;5.32,1.86,;6.09,3.2,;7.63,3.2,;8.4,4.53,;8.4,1.86,;7.63,.53,)|
Structure:
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