Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM499603
Substrate
n/a
Meas. Tech.
[35S]GTPgammaS Binding
EC50
8.10±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:
BDBM499603
Synonyms:
US11020395, Example 199.0
Type:
Small organic molecule
Emp. Form.:
C25H30ClN7O5S
Mol. Mass.:
576.068
SMILES:
CO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc([C@@H]2CC[C@@H](CC2)C#N)n1-c1c(OC)cccc1OC)c1ncc(Cl)cn1 |r,wU:13.12,16.19,wD:3.3,2.1,(2.88,-6.25,;1.97,-5,;.44,-5.17,;-.46,-3.92,;-2,-4.08,;.16,-2.51,;1.57,-3.14,;-1.24,-1.89,;.79,-1.11,;-.12,.14,;-1.66,.14,;-2.13,1.6,;-.89,2.51,;-.89,4.05,;.45,4.82,;.45,6.36,;-.89,7.13,;-2.22,6.36,;-2.22,4.82,;-.89,8.67,;-.89,10.21,;.36,1.6,;1.82,2.08,;2.97,1.05,;2.65,-.46,;3.79,-1.49,;4.43,1.53,;4.75,3.03,;3.61,4.06,;2.14,3.59,;1,4.62,;1.58,6.05,;-.19,-6.57,;.72,-7.82,;.09,-9.22,;-1.44,-9.39,;-2.06,-10.79,;-2.34,-8.14,;-1.72,-6.73,)|