Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM499530
Substrate
n/a
Meas. Tech.
[35S]GTPgammaS Binding
EC50
4200±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:
BDBM499530
Synonyms:
US11020395, Example 126.0
Type:
Small organic molecule
Emp. Form.:
C27H31N7O4S
Mol. Mass.:
549.645
SMILES:
COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@@H](C)[C@H](C)c2ncc(C)cn2)nnc1C1(CC1)c1ccccn1 |r,wU:16.17,18.19,(1.32,1.97,;-.01,1.2,;-1.34,1.97,;-1.39,3.54,;-2.73,4.31,;-4.06,3.54,;-4.06,2,;-5.39,1.23,;-6.57,2.22,;-2.73,1.23,;-2.73,-.31,;-1.48,-1.22,;-.15,-.45,;1.19,-1.22,;-.15,-1.99,;2.52,-1.99,;2.52,-.45,;2.52,1.09,;3.86,-1.22,;3.86,-2.76,;5.19,-.45,;6.52,-1.22,;7.86,-.45,;7.86,1.09,;9.19,1.86,;6.52,1.86,;5.19,1.09,;-1.96,-2.68,;-3.5,-2.68,;-3.97,-1.22,;-5.44,-.74,;-4.96,.72,;-6.47,.4,;-6.58,-1.77,;-8.05,-1.3,;-9.19,-2.33,;-8.87,-3.83,;-7.4,-4.31,;-6.26,-3.28,)|