Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM499614
Substrate
n/a
Meas. Tech.
[35S]GTPgammaS Binding
EC50
20.0±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:
BDBM499614
Synonyms:
US11020395, Example 214.0 | US11020395, Example 216.0
Type:
Small organic molecule
Emp. Form.:
C24H31ClN6O6S
Mol. Mass.:
567.058
SMILES:
CO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc(C2CC[C@H](C2)OC)n1-c1c(OC)cccc1OC)c1ncc(Cl)cn1 |r,wU:3.3,2.1,wD:16.18,(4.78,-10.65,;3.7,-9.56,;4.09,-8.07,;3,-6.98,;3.4,-5.5,;1.52,-7.38,;.03,-7.78,;2.61,-8.47,;.43,-6.29,;-1.06,-6.69,;-1.54,-8.16,;-3.08,-8.16,;-3.55,-6.69,;-4.88,-5.92,;-5.36,-4.46,;-6.9,-4.46,;-7.38,-5.92,;-6.13,-6.83,;-8.71,-6.69,;-10.04,-5.92,;-2.31,-5.79,;-2.31,-4.25,;-3.64,-3.48,;-4.97,-4.25,;-6.31,-3.48,;-3.64,-1.94,;-2.31,-1.17,;-.97,-1.94,;-.97,-3.48,;.36,-4.25,;1.7,-3.48,;5.58,-7.67,;6.67,-8.76,;8.16,-8.36,;8.56,-6.88,;10.04,-6.48,;7.47,-5.79,;5.98,-6.19,)|