Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM507289
Substrate
n/a
Meas. Tech.
[35S]GTPgammaS Binding
EC50
30.0±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:
BDBM507289
Synonyms:
US11046680, Example 168.0 | US11046680, Example 169.0
Type:
Small organic molecule
Emp. Form.:
C24H26FN7O5S2
Mol. Mass.:
575.636
SMILES:
COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@@H](C)[C@H](OCC=C)c2ncc(F)cn2)nnc1-c1nc(C)cs1 |r,wU:18.19,16.17,(1.27,-4.41,;-.06,-5.18,;-1.39,-4.41,;-1.4,-2.87,;-2.73,-2.1,;-4.06,-2.87,;-4.06,-4.41,;-5.39,-5.18,;-6.73,-4.41,;-2.73,-5.18,;-2.73,-6.72,;-1.48,-7.62,;-.01,-7.15,;1.32,-7.92,;2.09,-9.25,;.55,-9.25,;2.65,-7.15,;2.65,-5.61,;3.99,-7.92,;3.99,-9.46,;5.32,-10.23,;5.32,-11.77,;6.65,-12.54,;5.32,-7.15,;6.65,-7.92,;7.99,-7.15,;7.99,-5.61,;9.32,-4.84,;6.65,-4.84,;5.32,-5.61,;-1.95,-9.09,;-3.49,-9.09,;-3.97,-7.63,;-5.44,-7.15,;-5.91,-5.69,;-7.45,-5.69,;-8.36,-4.44,;-7.93,-7.15,;-6.68,-8.06,)|
Structure:
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