Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM499506
Substrate
n/a
Meas. Tech.
[35S]GTPgammaS Binding
EC50
42.0±n/a nM
Citation
Chen, Y; Dransfield, PJ; Harvey, JS; Heath, JA; Houze, J; Khakoo, AY; Kopecky, DJ; Lai, S; Ma, Z; Nishimura, N; Pattaropong, V; Swaminath, G; Yeh, W; Ramsden, PD Cycloalkyl substituted triazole compounds as agonists of the APJ receptor US Patent US11020395 Publication Date 6/1/2021
More Info.:
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:
BDBM499506
Synonyms:
US11020395, Example 88.0
Type:
Small organic molecule
Emp. Form.:
C21H28N8O4S
Mol. Mass.:
488.563
SMILES:
COc1ncnc(OC)c1-n1c(NS(=O)(=O)[C@@H](C)[C@H](C)c2cnc(C)cn2)nnc1C1CCC1 |r,wU:16.17,18.19,(-7.48,1.22,;-6.14,.45,;-4.81,1.22,;-4.81,2.76,;-3.48,3.53,;-2.14,2.76,;-2.14,1.22,;-.81,.45,;.53,1.22,;-3.48,.45,;-3.48,-1.09,;-2.23,-1.99,;-.9,-1.22,;.44,-1.99,;-.33,-3.33,;1.21,-3.33,;1.77,-1.22,;1.77,.32,;3.1,-1.99,;3.1,-3.53,;4.44,-1.22,;4.44,.32,;5.77,1.09,;7.11,.32,;8.44,1.09,;7.11,-1.22,;5.77,-1.99,;-2.71,-3.46,;-4.25,-3.46,;-4.72,-1.99,;-6.26,-1.99,;-7.35,-.9,;-8.44,-1.99,;-7.35,-3.08,)|