Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM499509
Substrate
n/a
Meas. Tech.
[35S]GTPgammaS Binding
EC50
2.90±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:
BDBM499509
Synonyms:
US11020395, Example 91.0
Type:
Small organic molecule
Emp. Form.:
C21H26ClN7O5S
Mol. Mass.:
523.993
SMILES:
CO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc(C2CCC2)n1-c1c(OC)ncnc1OC)c1ccc(Cl)cn1 |r,wU:3.3,2.1,(4.44,.82,;3.1,1.59,;3.1,3.13,;1.77,3.9,;1.77,5.44,;.44,3.13,;-.33,1.8,;1.21,1.8,;-.9,3.9,;-2.23,3.13,;-2.71,1.67,;-4.25,1.67,;-4.72,3.13,;-6.26,3.13,;-7.35,4.22,;-8.44,3.13,;-7.35,2.04,;-3.48,4.04,;-3.48,5.58,;-4.81,6.35,;-6.14,5.58,;-7.48,6.35,;-4.81,7.89,;-3.48,8.66,;-2.14,7.89,;-2.14,6.35,;-.81,5.58,;.53,6.35,;4.44,3.9,;4.44,5.44,;5.77,6.21,;7.11,5.44,;8.44,6.21,;7.11,3.9,;5.77,3.13,)|