Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM269662
Substrate
n/a
Meas. Tech.
[35S]GTPgammaS Binding Assay
pH
7.5±n/a
EC50
0.150±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:
BDBM269662
Synonyms:
(2S,3R)-N-(4-(2,6-dimethoxyphenyl)-5-(6-ethyl-2-pyridinyl)-4H-1,2,4-triazol-3-yl)-3-(5-methyl-2-pyrimidinyl)-2-butanesulfonamide | US10058550, Example 176.0 | US10221162, Example 176.0 | US9845310, Example 176.0
Type:
Small organic molecule
Emp. Form.:
C26H31N7O4S
Mol. Mass.:
537.634
SMILES:
CCc1cccc(n1)-c1nnc(NS(=O)(=O)[C@@H](C)[C@H](C)c2ncc(C)cn2)n1-c1c(OC)cccc1OC |r,wU:16.17,18.19,(-8.12,-4.76,;-8.89,-3.43,;-8.12,-2.1,;-8.89,-.76,;-8.12,.57,;-6.58,.57,;-5.81,-.76,;-6.58,-2.1,;-4.27,-.76,;-3.79,-2.23,;-2.25,-2.23,;-1.78,-.76,;-.45,.01,;.89,-.76,;.12,-2.1,;1.66,-2.1,;2.22,.01,;2.22,1.55,;3.56,-.76,;3.56,-2.3,;4.89,.01,;6.22,-.76,;7.56,.01,;7.56,1.55,;8.89,2.32,;6.22,2.32,;4.89,1.55,;-3.02,.14,;-3.02,1.68,;-1.69,2.45,;-.36,1.68,;.98,2.45,;-1.69,3.99,;-3.02,4.76,;-4.36,3.99,;-4.36,2.45,;-5.69,1.68,;-7.03,2.45,)|
Structure:
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