Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM507200
Substrate
n/a
Meas. Tech.
[35S]GTPgammaS Binding
EC50
41.0±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:
BDBM507200
Synonyms:
US11046680, Example 71.0 | US11046680, Example 75.0 | US11046680, Example 76.0
Type:
Small organic molecule
Emp. Form.:
C20H21FN8O4S
Mol. Mass.:
488.495
SMILES:
COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@H](C)Cc2ncc(F)cn2)nnc1-c1cc[nH]n1 |r,wU:16.17,(-5.47,-7.99,;-4.01,-8.46,;-2.86,-7.43,;-3.18,-5.93,;-2.04,-4.9,;-.57,-5.37,;-.25,-6.88,;1.21,-7.35,;2.36,-6.32,;-1.4,-7.91,;-1.08,-9.41,;.33,-10.04,;1.66,-9.27,;3,-10.04,;2.23,-11.37,;4.33,-10.81,;3.77,-8.71,;5.31,-8.71,;3,-7.37,;3.77,-6.04,;5.31,-6.04,;6.08,-4.71,;5.31,-3.37,;6.08,-2.04,;3.77,-3.37,;3,-4.71,;.17,-11.57,;-1.34,-11.89,;-2.11,-10.56,;-3.64,-10.4,;-4.41,-9.06,;-5.92,-9.38,;-6.08,-10.92,;-4.67,-11.54,)|
Structure:
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