Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM499618
Substrate
n/a
Meas. Tech.
[35S]GTPgammaS Binding
EC50
29.0±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:
BDBM499618
Synonyms:
US11020395, Example 218.0 | US11020395, Example 219.0
Type:
Small organic molecule
Emp. Form.:
C23H27ClN6O4S
Mol. Mass.:
519.016
SMILES:
COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@@H](C)[C@H](C)c2ncc(Cl)cn2)nnc1[C@H]1CC11CC1 |r,wU:16.17,18.19,wD:30.32,(-7.4,7.79,;-6.06,7.02,;-4.73,7.79,;-4.73,9.33,;-3.4,10.1,;-2.06,9.33,;-2.06,7.79,;-.73,7.02,;.6,7.79,;-3.4,7.02,;-3.4,5.48,;-2.15,4.58,;-.66,4.98,;.43,3.89,;-1.06,3.49,;1.51,2.8,;1.91,4.29,;2.31,5.77,;3,3.2,;2.6,1.71,;4.49,3.6,;5.58,2.51,;7.07,2.91,;7.46,4.39,;8.95,4.79,;6.38,5.48,;4.89,5.08,;-2.63,3.11,;-4.17,3.11,;-4.64,4.58,;-5.98,5.35,;-7.07,6.44,;-7.46,4.95,;-8.95,4.55,;-7.86,3.46,)|