Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM499590
Substrate
n/a
Meas. Tech.
[35S]GTPgammaS Binding
EC50
1.10±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:
BDBM499590
Synonyms:
US11020395, Example 184.0
Type:
Small organic molecule
Emp. Form.:
C23H29ClN8O5S
Mol. Mass.:
565.045
SMILES:
CO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc(C2CC3(CCC3)C2)n1-c1c(OC)ncnc1OC)c1ncc(Cl)cn1 |r,wU:3.3,2.1,(-5.88,2.09,;-4.64,1.19,;-4.8,-.34,;-3.55,-1.25,;-3.71,-2.78,;-2.14,-.62,;-1.52,-2.03,;-2.77,.78,;-.74,0,;.51,-.9,;.51,-2.44,;1.97,-2.92,;2.88,-1.67,;4.42,-1.67,;5.51,-.58,;6.6,-1.67,;7.69,-.58,;8.78,-1.67,;7.69,-2.76,;5.51,-2.76,;1.97,-.43,;2.45,1.04,;1.42,2.18,;-.09,1.86,;-1.12,3.01,;1.9,3.65,;3.4,3.97,;4.43,2.82,;3.96,1.36,;4.99,.22,;4.26,-1.14,;-6.2,-.97,;-6.36,-2.5,;-7.77,-3.13,;-9.02,-2.22,;-10.42,-2.85,;-8.86,-.69,;-7.45,-.06,)|