Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM481040
Substrate
n/a
Meas. Tech.
[35S]GTPγS Binding Assay
EC50
3.30±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:
BDBM481040
Synonyms:
US10906890, Example 52.0
Type:
Small organic molecule
Emp. Form.:
C24H27N7O4S
Mol. Mass.:
509.581
SMILES:
COc1ccnc(OC)c1-n1c(NS(=O)(=O)[C@@H](C)[C@H](C)c2cnc(C)cn2)nnc1-c1ccccc1 |r,wU:18.19,16.17,(.77,1.76,;-.56,.99,;-1.89,1.76,;-1.89,3.3,;-3.23,4.07,;-4.56,3.3,;-4.56,1.76,;-5.9,.99,;-7.23,1.76,;-3.23,.99,;-3.23,-.55,;-1.98,-1.45,;-.52,-.98,;.63,-2.01,;-.14,-3.34,;1.4,-3.34,;2.09,-1.53,;2.41,-.03,;3.24,-2.56,;2.92,-4.07,;4.7,-2.09,;5.02,-.58,;6.49,-.11,;7.63,-1.14,;9.09,-.66,;7.31,-2.64,;5.84,-3.12,;-2.46,-2.92,;-4,-2.92,;-4.47,-1.45,;-6.01,-1.45,;-6.78,-.12,;-8.32,-.12,;-9.09,-1.45,;-8.32,-2.79,;-6.78,-2.79,)|
Structure:
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