Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM269902
Substrate
n/a
Meas. Tech.
[35S]GTPgammaS Binding Assay
EC50
100.0±n/a nM
Citation
Chen, N; Chen, X; Chen, Y; Cheng, AC; Connors, RV; Deignan, J; Dransfield, PJ; Du, X; Fu, Z; Heath, JA; Horne, DB; Houze, J; Kaller, MR; Khakoo, AY; Kopecky, DJ; Lai, S; Ma, Z; McGee, LR; Medina, JC; Mihalic, JT; Nishimura, N; Olson, SH; Pattaropong, V; Swaminath, G; Wang, X; Yang, K; Yeh, W; Debenedetto, MV; Farrell, RP; Hedley, SJ; Judd, TC; Kayser, F Triazole agonists of the APJ receptor US Patent US10221162 Publication Date 3/5/2019
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:
BDBM269902
Synonyms:
(2S,3S)N-(4-(2,6-dimethoxyphenyl)-5-(6-methoxy-2-pyridinyl)-4H-1,2,4-triazol-3-yl)-3-hydroxy-4,4-dimethyl-2-pentanesulfonamide or (2R,3R)N-(4-(2,6-dimethoxyphenyl)-5-(6-methoxy-2-pyridinyl)-4H-1,2,4-triazol-3-yl)-3-hydroxy-4,4-dimethyl-2-pentanesulfonamide | US10058550, Example 435.0 | US10058550, Example 436.0 | US10221162, Example 436.0 | US9845310, Example 436.0
Type:
Small organic molecule
Emp. Form.:
C23H31N5O6S
Mol. Mass.:
505.587
SMILES:
COc1cccc(n1)-c1nnc(NS(=O)(=O)[C@H](C)[C@H](O)C(C)(C)C)n1-c1c(OC)cccc1OC |r,wU:18.19,wD:16.17,(-8.29,-8.35,;-6.8,-8.75,;-5.71,-7.66,;-6.11,-6.17,;-5.02,-5.09,;-3.54,-5.48,;-3.14,-6.97,;-4.23,-8.06,;-1.65,-7.37,;-1.17,-8.84,;.37,-8.84,;.84,-7.37,;2.18,-6.6,;3.51,-7.37,;2.74,-8.7,;4.28,-8.7,;4.84,-6.6,;4.84,-5.06,;6.18,-7.37,;6.18,-8.91,;7.51,-6.6,;8.84,-7.37,;7.51,-5.06,;8.84,-5.83,;-.4,-6.47,;-.4,-4.93,;-1.74,-4.16,;-3.07,-4.93,;-4.4,-4.16,;-1.74,-2.62,;-.4,-1.85,;.93,-2.62,;.93,-4.16,;2.26,-4.93,;3.6,-4.16,)|