Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM310243
Substrate
n/a
Meas. Tech.
[35S]GTPgammaS Binding
EC50
19.0±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:
Human
Description:
P35414
Residue:
380
Sequence:
MEEGGDFDNYYGADNQSECEYTDWKSSGALIPAIYMLVFLLGTTGNGLVLWTVFRSSREKRRSADIFIASLAVADLTFVVTLPLWATYTYRDYDWPFGTFFCKLSSYLIFVNMYASVFCLTGLSFDRYLAIVRPVANARLRLRVSGAVATAVLWVLAALLAMPVMVLRTTGDLENTTKVQCYMDYSMVATVSSEWAWEVGLGVSSTTVGFVVPFTIMLTCYFFIAQTIAGHFRKERIEGLRKRRRLLSIIVVLVVTFALCWMPYHLVKTLYMLGSLLHWPCDFDLFLMNIFPYCTCISYVNSCLNPFLYAFFDPRFRQACTSMLCCGQSRCAGTSHSSSGEKSASYSSGHSQGPGPNMGKGGEQMHEKSIPYSQETLVVD
  
Inhibitor
Name:
BDBM310243
Synonyms:
US10150760, Example 38.0
Type:
Small organic molecule
Emp. Form.:
C21H26ClN7O5S
Mol. Mass.:
523.993
SMILES:
COc1ncnc(OC)c1-n1c(NS(=O)(=O)[C@@H](C)[C@H](C)c2ccc(Cl)cn2)nnc1[C@H]1CCOC1 |r,wU:16.17,18.19,wD:30.32,(-7.64,1.54,;-6.31,.77,;-4.98,1.54,;-4.98,3.08,;-3.64,3.85,;-2.31,3.08,;-2.31,1.54,;-.97,.77,;.36,1.54,;-3.64,.77,;-3.64,-.77,;-2.4,-1.67,;-1.06,-.9,;.27,-1.67,;-.5,-3.01,;1.04,-3.01,;1.76,-1.28,;2.16,.21,;2.85,-2.36,;2.45,-3.85,;4.34,-1.97,;4.73,-.48,;6.22,-.08,;7.31,-1.17,;8.8,-.77,;6.91,-2.66,;5.42,-3.05,;-2.87,-3.14,;-4.41,-3.14,;-4.89,-1.67,;-6.43,-1.67,;-7.33,-.43,;-8.8,-.9,;-8.8,-2.44,;-7.33,-2.92,)|
Structure:
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