Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM507382
Substrate
n/a
Meas. Tech.
[35S]GTPgammaS Binding
EC50
190±n/a nM
Citation
 Chen, N; Chen, X; Chen, Y; Cheng, AC; Connors, RV; Deignan, J; Dransfield, PJ; Du, X; Fu, Z; Harvey, JS; Heath, JA; Heumann, LV; Horne, DB; Houze, J; Kaller, MR; Kayser, F; Khakoo, AY; Kopecky, DJ; Lai, S; Ma, Z; Medina, JC; Mihalic, JT; Nishimura, N; Olson, SH; Pattaropong, V; Swaminath, G; Wang, X; Wanska, M; Yang, K; Yeh, W Heteroaryl-substituted triazoles as APJ receptor agonists US Patent  US11046680 Publication Date 6/29/2021 
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:
BDBM507382
Synonyms:
US11046680, Example 261.0 | US11046680, Example 262.0
Type:
Small organic molecule
Emp. Form.:
C23H26FN9O4S
Mol. Mass.:
543.574
SMILES:
COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@H]2CCCN(C2)c2ncc(F)cn2)nnc1-c1ccn(C)n1 |r,wU:16.16,(-.1,8.37,;-1.43,7.6,;-2.77,8.37,;-2.77,9.91,;-4.1,10.68,;-5.44,9.91,;-5.43,8.37,;-6.77,7.59,;-8.1,8.36,;-4.1,7.6,;-4.1,6.06,;-2.85,5.15,;-1.39,5.63,;-.3,4.54,;.47,3.21,;-1.07,3.21,;1.04,5.31,;1.04,6.85,;2.37,7.62,;3.71,6.85,;3.71,5.31,;2.37,4.54,;5.04,4.54,;5.04,3,;6.37,2.23,;7.71,3,;9.04,2.23,;7.71,4.54,;6.37,5.31,;-3.32,3.69,;-4.86,3.69,;-5.34,5.15,;-6.62,5.59,;-7.09,7.05,;-8.63,7.05,;-9.11,5.59,;-10.36,5.15,;-7.86,4.68,)|
Structure:
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