Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM499525
Substrate
n/a
Meas. Tech.
[35S]GTPgammaS Binding
EC50
28.0±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:
BDBM499525
Synonyms:
US11020395, Example 121.0 | US11020395, Example 122.0
Type:
Small organic molecule
Emp. Form.:
C23H26ClN7O5S
Mol. Mass.:
548.014
SMILES:
CO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc([C@@H]2C[C@@H](C2)C#N)n1-c1c(OC)cccc1OC)c1ncc(Cl)cn1 |r,wU:2.1,3.3,15.17,13.12,(5.98,-3.92,;4.64,-3.15,;4.64,-1.61,;3.31,-.84,;3.31,.7,;1.98,-1.61,;.64,-2.38,;3.31,-2.38,;.64,-.84,;-.69,-1.61,;-1.17,-3.07,;-2.71,-3.07,;-3.18,-1.61,;-4.72,-1.61,;-5.81,-.52,;-6.9,-1.61,;-5.81,-2.7,;-8.44,-1.61,;-9.98,-1.61,;-1.94,-.7,;-1.94,.84,;-3.27,1.61,;-4.6,.84,;-5.94,1.61,;-3.27,3.15,;-1.94,3.92,;-.6,3.15,;-.6,1.61,;.73,.84,;2.07,1.61,;5.98,-.84,;7.31,-1.61,;8.65,-.84,;8.65,.7,;9.98,1.47,;7.31,1.47,;5.98,.7,)|