Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM310245
Substrate
n/a
Meas. Tech.
[35S]GTPgammaS Binding
EC50
14.0±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:
BDBM310245
Synonyms:
US10150760, Example 40.0
Type:
Small organic molecule
Emp. Form.:
C22H28ClN7O5S
Mol. Mass.:
538.02
SMILES:
COc1cccc(OC)c1-n1c(NS(=N)(=O)[C@@H](C)[C@H](C)c2ncc(Cl)cn2)nnc1[C@@H]1COCCO1 |r,wU:30.32,16.17,18.19,(-7.29,1.54,;-5.95,.77,;-4.62,1.54,;-4.62,3.08,;-3.29,3.85,;-1.95,3.08,;-1.95,1.54,;-.62,.77,;.71,1.54,;-3.29,.77,;-3.29,-.77,;-2.04,-1.67,;-.71,-.9,;.63,-1.67,;-.14,-3.01,;1.4,-3.01,;2.11,-1.28,;2.51,.21,;3.2,-2.36,;2.8,-3.85,;4.69,-1.97,;5.78,-3.05,;7.27,-2.66,;7.67,-1.17,;9.15,-.77,;6.58,-.08,;5.09,-.48,;-2.52,-3.14,;-4.06,-3.14,;-4.53,-1.67,;-6.07,-1.67,;-6.84,-.34,;-8.38,-.34,;-9.15,-1.67,;-8.38,-3.01,;-6.84,-3.01,)|
Structure:
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