Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM499546
Substrate
n/a
Meas. Tech.
[35S]GTPgammaS Binding
EC50
5.10±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:
BDBM499546
Synonyms:
US11020395, Example 142.0
Type:
Small organic molecule
Emp. Form.:
C25H34N6O5S
Mol. Mass.:
530.64
SMILES:
COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@@H](C)[C@@H](OC(C)C)c2ncc(C)cn2)nnc1C1CCC1 |r,wU:16.17,wD:18.19,(.48,2.35,;-.85,1.58,;-2.19,2.35,;-2.23,3.92,;-3.57,4.69,;-4.9,3.92,;-4.9,2.38,;-6.23,1.61,;-7.41,2.6,;-3.57,1.61,;-3.57,.07,;-2.32,-.84,;-.99,-.07,;.35,-.84,;-.99,-1.61,;1.68,-1.61,;1.68,-.07,;1.68,1.47,;3.01,-.84,;3.01,-2.38,;4.35,-3.15,;4.35,-4.69,;5.68,-2.38,;4.35,-.07,;5.68,-.84,;7.01,-.07,;7.01,1.47,;8.35,2.24,;5.68,2.24,;4.35,1.47,;-2.8,-2.3,;-4.34,-2.3,;-4.81,-.84,;-6.28,-.36,;-6.98,1.01,;-8.35,.31,;-7.65,-1.06,)|