Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM507240
Substrate
n/a
Meas. Tech.
[35S]GTPgammaS Binding
EC50
4.60±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:
BDBM507240
Synonyms:
US11046680, Example 119.0
Type:
Small organic molecule
Emp. Form.:
C22H24FN7O4S2
Mol. Mass.:
533.599
SMILES:
COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@@H](C)[C@@H](C)c2ncc(F)cn2)nnc1-c1nc(C)cs1 |r,wU:16.17,wD:18.19,(-7.21,1.37,;-5.87,.6,;-4.54,1.37,;-4.54,2.91,;-3.21,3.68,;-1.87,2.91,;-1.87,1.37,;-.54,.6,;.79,1.37,;-3.21,.6,;-3.21,-.94,;-1.96,-1.85,;-.5,-1.37,;.84,-2.14,;.07,-3.47,;1.61,-3.47,;2.17,-1.37,;2.17,.17,;3.5,-2.14,;3.5,-3.68,;4.84,-1.37,;6.17,-2.14,;7.51,-1.37,;7.51,.17,;8.84,.94,;6.17,.94,;4.84,.17,;-2.44,-3.31,;-3.98,-3.31,;-4.45,-1.85,;-5.92,-1.37,;-6.39,.1,;-7.93,.1,;-8.84,1.34,;-8.41,-1.37,;-7.16,-2.27,)|
Structure:
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