Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM499592
Substrate
n/a
Meas. Tech.
[35S]GTPgammaS Binding
EC50
0.890±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:
BDBM499592
Synonyms:
US11020395, Example 186.0
Type:
Small organic molecule
Emp. Form.:
C21H27ClN8O5S
Mol. Mass.:
539.008
SMILES:
CO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc([C@@H]2C[C@H](C)C2)n1-c1c(OC)ncnc1OC)c1ncc(Cl)cn1 |r,wU:3.3,2.1,wD:13.12,15.15,(2.32,4.7,;1.42,3.46,;-.11,3.62,;-1.02,2.37,;-2.55,2.53,;-.39,.97,;-1.8,.34,;1.02,1.59,;.24,-.44,;-.67,-1.69,;-2.21,-1.69,;-2.69,-3.15,;-1.44,-4.06,;-1.44,-5.6,;-.35,-6.69,;-1.44,-7.78,;-1.44,-9.32,;-2.53,-6.69,;-.19,-3.15,;1.27,-3.63,;2.42,-2.6,;2.1,-1.09,;3.24,-.06,;3.88,-3.07,;4.2,-4.58,;3.06,-5.61,;1.59,-5.13,;.45,-6.16,;-.91,-5.44,;-.74,5.03,;-2.27,5.19,;-2.9,6.59,;-1.99,7.84,;-2.62,9.25,;-.46,7.68,;.17,6.27,)|