Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM499602
Substrate
n/a
Meas. Tech.
[35S]GTPgammaS Binding
EC50
3.70±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:
BDBM499602
Synonyms:
US11020395, Example 198.0
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,-5.78,;-1.98,-4.54,;-.45,-4.7,;.46,-3.45,;1.99,-3.61,;-.17,-2.04,;1.24,-1.42,;-1.58,-2.67,;-.8,-.64,;.11,.61,;1.65,.61,;2.12,2.07,;.88,2.98,;.88,4.52,;1.97,5.61,;.88,6.7,;.07,8.01,;1.68,8.01,;-.21,5.61,;-.37,2.07,;-1.83,2.55,;-2.98,1.52,;-2.66,.01,;-3.8,-1.02,;-4.44,1.99,;-4.76,3.5,;-3.62,4.53,;-2.15,4.05,;-1.01,5.09,;.35,4.36,;.18,-6.1,;1.71,-6.27,;2.34,-7.67,;1.43,-8.92,;2.06,-10.32,;-.1,-8.76,;-.73,-7.35,)|