Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM499608
Substrate
n/a
Meas. Tech.
[35S]GTPgammaS Binding
EC50
34.0±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:
BDBM499608
Synonyms:
US11020395, Example 204.0 | US11020395, Example 205.0
Type:
Small organic molecule
Emp. Form.:
C22H25ClF2N8O5S
Mol. Mass.:
586.999
SMILES:
CO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc([C@H]2C[C@]3(CC3(F)F)C2)n1-c1c(OC)ncnc1OC)c1ncc(Cl)cn1 |r,wU:3.3,15.15,2.1,wD:13.12,(5.79,-3.09,;4.54,-2.19,;4.7,-.66,;3.46,.25,;3.62,1.78,;2.05,-.38,;1.42,1.03,;2.68,-1.78,;.64,-1,;-.6,-.1,;-.6,1.44,;-2.07,1.92,;-2.97,.67,;-4.51,.67,;-5.6,1.76,;-6.69,.67,;-8.02,-.1,;-8.02,1.44,;-9.42,2.09,;-7.89,2.97,;-5.6,-.42,;-2.07,-.58,;-2.54,-2.04,;-1.51,-3.18,;-.01,-2.86,;1.02,-4.01,;-1.99,-4.65,;-3.5,-4.97,;-4.53,-3.82,;-4.05,-2.36,;-5.08,-1.22,;-4.36,.14,;6.11,-.03,;6.27,1.5,;7.68,2.13,;8.92,1.22,;10.33,1.85,;8.76,-.31,;7.35,-.94,)|