Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM507308
Substrate
n/a
Meas. Tech.
[35S]GTPgammaS Binding
EC50
140±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:
BDBM507308
Synonyms:
US11046680, Example 187.0 | US11046680, Example 195.0 | US11046680, Example 196.0
Type:
Small organic molecule
Emp. Form.:
C20H20FN7O5S
Mol. Mass.:
489.48
SMILES:
COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@H](C)Cc2ncc(F)cn2)nnc1-c1cocn1 |r,wD:16.17,(-7.38,-4.64,;-6.05,-5.41,;-4.71,-4.64,;-4.71,-3.1,;-3.38,-2.33,;-2.05,-3.1,;-2.05,-4.64,;-.71,-5.41,;.62,-4.64,;-3.38,-5.41,;-3.38,-6.95,;-2.13,-7.85,;-.8,-7.08,;.53,-7.85,;-.8,-8.62,;1.87,-8.62,;1.87,-7.08,;1.87,-5.54,;3.2,-7.85,;4.53,-7.08,;5.87,-7.85,;7.2,-7.08,;7.2,-5.54,;8.54,-4.77,;5.87,-4.77,;4.53,-5.54,;-2.61,-9.32,;-4.15,-9.32,;-4.63,-7.85,;-6.17,-7.85,;-7.07,-9.1,;-8.54,-8.62,;-8.54,-7.08,;-7.07,-6.61,)|
Structure:
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