Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM499597
Substrate
n/a
Meas. Tech.
[35S]GTPgammaS Binding
EC50
10.00±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:
BDBM499597
Synonyms:
US11020395, Example 193.0 | US11020395, Example 194.0
Type:
Small organic molecule
Emp. Form.:
C23H29ClN6O4S
Mol. Mass.:
521.032
SMILES:
COc1cccc(OC)c1-n1c(NS(=O)(=O)[C@@H](C)[C@H](C)c2ncc(C)cn2)nnc1[C@H]1C[C@H](Cl)C1 |r,wU:16.17,18.19,32.35,wD:30.32,(1.21,1.53,;-.12,.76,;-1.45,1.53,;-1.5,3.1,;-2.83,3.87,;-4.17,3.1,;-4.17,1.56,;-5.5,.79,;-6.68,1.78,;-2.83,.79,;-2.83,-1.42,;-1.59,-2.33,;-.25,-1.56,;1.08,-2.33,;-.25,-3.1,;2.41,-3.1,;2.41,-1.56,;2.41,-.02,;3.75,-2.33,;3.75,-3.87,;5.08,-1.56,;6.41,-2.33,;7.75,-1.56,;7.75,-.02,;9.08,.75,;6.41,.75,;5.08,-.02,;-2.06,-3.79,;-3.6,-3.79,;-4.08,-2.33,;-5.54,-1.85,;-6.24,-.48,;-7.62,-1.18,;-9.08,-.7,;-6.92,-2.55,)|