Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM480992
Substrate
n/a
Meas. Tech.
[35S]GTPγS Binding Assay
EC50
4.20±n/a nM
Citation
 Chen, N; Chen, Y; Debenedetto, MV; Dransfield, PJ; Harvey, JS; Heath, JA; Houze, J; Khakoo, AY; Lai, S; Ma, Z; Nishimura, N; Pattaropong, V; Swaminath, G; Yeh, W; Kreiman, C Triazole phenyl compounds as agonists of the APJ receptor US Patent  US10906890 Publication Date 2/2/2021 
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:
BDBM480992
Synonyms:
US10906890, Example 1.0
Type:
Small organic molecule
Emp. Form.:
C23H25BrN8O5S
Mol. Mass.:
605.464
SMILES:
CO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cccc(Br)c2)n1-c1c(OC)ncnc1OC)c1ncc(C)cn1 |r,wU:3.3,2.1,(5.16,-3.92,;3.82,-3.15,;3.82,-1.61,;2.49,-.84,;2.49,.7,;1.15,-1.61,;1.92,-2.94,;.38,-2.94,;-.18,-.84,;-1.51,-1.61,;-1.99,-3.07,;-3.53,-3.07,;-4,-1.61,;-5.49,-1.21,;-5.89,.28,;-7.38,.68,;-8.47,-.41,;-8.07,-1.9,;-9.16,-2.99,;-6.58,-2.3,;-2.76,-.7,;-2.76,.84,;-4.09,1.61,;-5.43,.84,;-6.76,1.61,;-4.09,3.15,;-2.76,3.92,;-1.42,3.15,;-1.42,1.61,;-.09,.84,;1.24,1.61,;5.16,-.84,;6.49,-1.61,;7.82,-.84,;7.82,.7,;9.16,1.47,;6.49,1.47,;5.16,.7,)|
Structure:
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