Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM507342
Substrate
n/a
Meas. Tech.
[35S]GTPgammaS Binding
EC50
0.320±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:
BDBM507342
Synonyms:
US11046680, Example 221.0
Type:
Small organic molecule
Emp. Form.:
C24H27ClN8O4S
Mol. Mass.:
559.04
SMILES:
COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@@H](C)[C@H](C)c2ncc(Cl)cn2)nnc1-c1cc2CCCn2n1 |r,wU:16.17,18.19,(-6.26,1.37,;-4.93,.6,;-3.59,1.37,;-3.59,2.91,;-2.26,3.68,;-.93,2.91,;-.93,1.37,;.41,.6,;1.74,1.37,;-2.26,.6,;-2.26,-.94,;-1.01,-1.85,;.45,-1.37,;1.78,-2.14,;.45,-2.91,;3.12,-2.91,;3.12,-1.37,;3.12,.17,;4.45,-2.14,;4.45,-3.68,;5.78,-1.37,;7.12,-2.14,;8.45,-1.37,;8.45,.17,;9.79,.94,;7.12,.94,;5.78,.17,;-1.49,-3.31,;-3.03,-3.31,;-3.51,-1.85,;-5.05,-1.85,;-5.95,-.6,;-7.42,-1.08,;-8.88,-.6,;-9.79,-1.85,;-8.88,-3.09,;-7.42,-2.62,;-5.95,-3.09,)|
Structure:
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