Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM499558
Substrate
n/a
Meas. Tech.
[35S]GTPgammaS Binding
EC50
0.180±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:
BDBM499558
Synonyms:
US11020395, Example 153.0 | US11020395, Example 154.0
Type:
Small organic molecule
Emp. Form.:
C22H26Cl2N6O5S
Mol. Mass.:
557.45
SMILES:
CO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc([C@H]2C[C@H](Cl)C2)n1-c1c(OC)cccc1OC)c1ncc(Cl)cn1 |r,wU:13.12,wD:15.15,3.3,2.1,(-2.61,4.6,;-1.71,3.36,;-.17,3.52,;.73,2.27,;2.26,2.43,;.1,.87,;1.51,.24,;-1.3,1.49,;-.52,-.54,;.38,-1.79,;1.92,-1.79,;2.4,-3.25,;1.15,-4.16,;1.15,-5.7,;2.24,-6.79,;1.15,-7.87,;1.15,-9.41,;.06,-6.79,;-.09,-3.25,;-1.56,-3.73,;-2.7,-2.7,;-2.38,-1.19,;-3.53,-.16,;-4.17,-3.17,;-4.49,-4.68,;-3.34,-5.71,;-1.88,-5.23,;-.73,-6.26,;-1.31,-7.69,;.45,4.93,;-.45,6.17,;.17,7.58,;1.7,7.74,;2.33,9.15,;2.61,6.49,;1.98,5.09,)|