Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM310246
Substrate
n/a
Meas. Tech.
[35S]GTPgammaS Binding
EC50
820±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:
BDBM310246
Synonyms:
US10150760, Example 41.0
Type:
Small organic molecule
Emp. Form.:
C27H36ClN7O6S
Mol. Mass.:
622.136
SMILES:
COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@@H](C)[C@H](C)c2ncc(Cl)cn2)nnc1[C@@H]1CCN(C1)C(=O)OC(C)(C)C |r,wU:30.32,16.17,18.19,(-5.07,2.47,;-3.73,1.7,;-2.4,2.47,;-2.4,4.01,;-1.07,4.78,;.27,4.01,;.27,2.47,;1.6,1.7,;2.94,2.47,;-1.07,1.7,;-1.07,.16,;.18,-.74,;1.51,.03,;2.85,-.74,;2.08,-2.08,;3.62,-2.08,;4.34,-.35,;4.73,1.14,;5.42,-1.43,;5.03,-2.92,;6.91,-1.04,;8,-2.12,;9.49,-1.73,;9.89,-.24,;11.37,.16,;8.8,.85,;7.31,.45,;-.3,-2.21,;-1.84,-2.21,;-2.31,-.74,;-3.85,-.74,;-4.76,.5,;-6.22,.03,;-6.22,-1.51,;-4.76,-1.99,;-7.31,-2.6,;-6.91,-4.09,;-8.8,-2.2,;-9.89,-3.29,;-11.37,-2.89,;-9.49,-4.78,;-10.98,-4.38,)|
Structure:
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