Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM499542
Substrate
n/a
Meas. Tech.
[35S]GTPgammaS Binding
EC50
27.0±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:
BDBM499542
Synonyms:
US11020395, Example 138.0
Type:
Small organic molecule
Emp. Form.:
C23H30N6O5S
Mol. Mass.:
502.587
SMILES:
CO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc(C2CCC2)n1-c1c(OC)cccc1OC)c1cnc(C)cn1 |r,wD:3.3,2.1,(-3.03,4.51,;-2.13,3.26,;-.6,3.42,;.31,2.17,;1.84,2.34,;-.32,.77,;1.09,.14,;-1.72,1.39,;-.94,-.64,;-.04,-1.89,;1.5,-1.89,;1.98,-3.35,;.73,-4.26,;.73,-5.8,;1.82,-6.88,;.73,-7.97,;-.36,-6.88,;-.51,-3.35,;-1.98,-3.83,;-3.12,-2.8,;-2.8,-1.29,;-3.95,-.26,;-4.59,-3.27,;-4.91,-4.78,;-3.76,-5.81,;-2.3,-5.33,;-1.15,-6.36,;-1.73,-7.79,;.03,4.83,;1.56,4.99,;2.19,6.39,;1.28,7.64,;1.91,9.05,;-.25,7.48,;-.87,6.07,)|