Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM310299
Substrate
n/a
Meas. Tech.
[35S]GTPgammaS Binding
EC50
15.0±n/a nM
Citation
 Chen, X; Cheng, AC; Connors, RV; Debenedetto, MV; Dransfield, PJ; Fu, Z; Harvey, JS; Heath, JA; Houze, J; Judd, TC; Kopecky, DJ; Lai, S; Ma, Z; Nishimura, N; Olson, SH; Pattaropong, V; Wang, X Compounds for use in preparing heterocyclic triazole agonists of the APJ receptor US Patent  US10150760 Publication Date 12/11/2018 
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:
BDBM310299
Synonyms:
US10150760, Example 95.0 | US10150760, Example 96.0
Type:
Small organic molecule
Emp. Form.:
C23H32N8O6S
Mol. Mass.:
548.615
SMILES:
COc1ncnc(OC)c1-n1c(NS(=O)(=O)[C@@H](C)[C@@H](OC(C)C)c2ncc(C)cn2)nnc1[C@H]1CCCO1 |r,wU:16.17,wD:18.19,33.35,(-7.42,2.38,;-6.09,1.61,;-4.76,2.38,;-4.76,3.92,;-3.42,4.69,;-2.09,3.92,;-2.09,2.38,;-.75,1.61,;.58,2.38,;-3.42,1.61,;-3.42,.07,;-2.18,-.84,;-.84,-.07,;.49,-.84,;-.28,-2.17,;1.26,-2.17,;1.82,-.07,;1.82,1.47,;3.16,-.84,;3.16,-2.38,;4.49,-3.15,;5.83,-2.38,;4.49,-4.69,;4.49,-.07,;5.83,-.84,;7.16,-.07,;7.16,1.47,;8.49,2.24,;5.83,2.24,;4.49,1.47,;-2.65,-2.3,;-4.19,-2.3,;-4.67,-.84,;-6,-.07,;-6.48,1.4,;-8.02,1.4,;-8.49,-.07,;-7.25,-.97,)|
Structure:
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