Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM270242
Substrate
n/a
Meas. Tech.
[35S]GTPγS Binding
EC50
770±n/a nM
Citation
 Chen, N; Chen, X; Cheng, AC; Connors, RV; Deignan, J; Dransfield, PJ; Du, X; Fu, Z; Heath, JA; Horne, DB; Houze, J; Kaller, MR; Kopecky, DJ; Lai, S; Ma, Z; McGee, LR; Medina, JC; Mihalic, JT; Nishimura, N; Olson, SH; Pattaropong, V; Wang, X; Yang, K; Debenedetto, MV; Hedley, SJ Intermediates for preparing triazole agonists of the APJ receptor US Patent  US9845310 Publication Date 12/19/2017 
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:
BDBM270242
Synonyms:
(2S,3R)-3-(5-chloro-2-pyridinyl)-N-(4-(4-hydroxy-6-oxo-1,6-dihydro-5-pyrimidinyl)-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl)-2-butanesulfonamide | US10058550, Example 810.0 | US10221162, Example 810.0 | US9845310, Example 810.0
Type:
Small organic molecule
Emp. Form.:
C20H19ClN8O4S
Mol. Mass.:
502.934
SMILES:
C[C@@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cccnc2)n1-c1c(O)nc[nH]c1=O)c1ccc(Cl)cn1 |r,wU:2.2,1.0,(2.76,-4.2,;3.16,-2.71,;2.07,-1.62,;2.47,-.13,;.58,-2.02,;-.19,-3.35,;1.35,-3.35,;-.51,-.93,;-2,-1.33,;-2.47,-2.79,;-4.01,-2.79,;-4.49,-1.33,;-6.03,-1.33,;-6.8,.01,;-8.34,.01,;-9.11,-1.33,;-8.34,-2.66,;-6.8,-2.66,;-3.24,-.42,;-3.24,1.12,;-1.91,1.89,;-.57,1.12,;-1.91,3.43,;-3.24,4.2,;-4.58,3.43,;-4.58,1.89,;-5.91,1.12,;4.64,-2.31,;5.04,-.82,;6.53,-.42,;7.62,-1.51,;9.11,-1.11,;7.22,-3,;5.73,-3.4,)|
Structure:
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