Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM499548
Substrate
n/a
Meas. Tech.
[35S]GTPgammaS Binding
EC50
620±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:
BDBM499548
Synonyms:
US11020395, Example 144.0 | US11020395, Example 145.0
Type:
Small organic molecule
Emp. Form.:
C23H29ClF2N8O5S
Mol. Mass.:
603.042
SMILES:
CO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc([C@@H]2CC[C@@H](CC2)C(F)F)n1-c1c(OC)ncnc1OC)c1ncc(Cl)cn1 |r,wU:3.3,2.1,wD:13.12,16.19,(-6.71,0,;-5.24,-.48,;-4.92,-1.98,;-3.46,-2.46,;-3.14,-3.96,;-2.31,-1.43,;-1.28,-2.57,;-3.34,-.28,;-1.17,-.4,;.3,-.87,;.77,-2.34,;2.31,-2.34,;2.79,-.87,;4.25,-.4,;4.57,1.11,;6.04,1.59,;7.18,.56,;6.86,-.95,;5.4,-1.43,;8.65,1.03,;8.97,2.54,;9.79,0,;1.54,.03,;1.54,1.57,;.21,2.34,;-1.13,1.57,;-2.46,2.34,;.21,3.88,;1.54,4.65,;2.88,3.88,;2.88,2.34,;4.21,1.57,;3.94,.06,;-6.07,-3.01,;-5.75,-4.52,;-6.89,-5.55,;-8.36,-5.07,;-9.5,-6.1,;-8.68,-3.57,;-7.53,-2.54,)|