Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM310255
Substrate
n/a
Meas. Tech.
[35S]GTPgammaS Binding
EC50
20.0±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:
BDBM310255
Synonyms:
US10150760, Example 51.0 | US10150760, Example 52.0
Type:
Small organic molecule
Emp. Form.:
C22H27ClN6O6S
Mol. Mass.:
539.004
SMILES:
CO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc([C@H]2CCCO2)n1-c1c(OC)cccc1OC)c1ncc(Cl)cn1 |r,wU:3.3,2.1,wD:13.12,(4.49,-3.92,;3.16,-3.15,;3.16,-1.61,;1.82,-.84,;1.82,.7,;.49,-1.61,;-.28,-2.94,;1.26,-2.94,;-.84,-.84,;-2.18,-1.61,;-2.65,-3.07,;-4.19,-3.07,;-4.67,-1.61,;-6,-.84,;-6.48,.63,;-8.02,.63,;-8.49,-.84,;-7.25,-1.74,;-3.42,-.7,;-3.42,.84,;-4.76,1.61,;-6.09,.84,;-7.42,1.61,;-4.76,3.15,;-3.42,3.92,;-2.09,3.15,;-2.09,1.61,;-.75,.84,;.58,1.61,;4.49,-.84,;5.83,-1.61,;7.16,-.84,;7.16,.7,;8.49,1.47,;5.83,1.47,;4.49,.7,)|
Structure:
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