Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM499599
Substrate
n/a
Meas. Tech.
[35S]GTPgammaS Binding
EC50
2.60±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:
BDBM499599
Synonyms:
US11020395, Example 195.0
Type:
Small organic molecule
Emp. Form.:
C23H28ClFN6O5S
Mol. Mass.:
555.022
SMILES:
CO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc([C@H]2C[C@@](C)(F)C2)n1-c1c(OC)cccc1OC)c1ncc(Cl)cn1 |r,wU:3.3,15.15,2.1,wD:13.12,15.16,(-2.89,-5.79,;-1.99,-4.54,;-.46,-4.7,;.45,-3.46,;1.98,-3.62,;-.18,-2.05,;1.23,-1.43,;-1.59,-2.68,;-.81,-.64,;.1,.6,;1.64,.6,;2.12,2.07,;.87,2.97,;.87,4.51,;1.96,5.6,;.87,6.69,;1.67,8,;.06,8,;-.22,5.6,;-.38,2.07,;-1.84,2.54,;-2.99,1.51,;-2.67,0,;-3.81,-1.03,;-4.45,1.99,;-4.77,3.49,;-3.63,4.52,;-2.16,4.05,;-1.02,5.08,;.34,4.36,;.17,-6.11,;1.7,-6.27,;2.33,-7.68,;1.42,-8.92,;2.05,-10.33,;-.11,-8.76,;-.74,-7.36,)|