Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM363743
Substrate
n/a
Meas. Tech.
[35S]GTPγS Binding
EC50
3.10±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:
BDBM363743
Synonyms:
US9845310, Example 741.0
Type:
n/a
Emp. Form.:
C23H26N8O5S
Mol. Mass.:
526.568
SMILES:
CO[C@@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cccc(OC)n2)n1-c1cccnc1OC)c1ncc(C)cn1 |wD:2.1,3.3,(6.47,.66,;6.47,-.88,;7.8,-1.65,;7.8,-3.19,;9.14,-3.96,;6.47,-3.96,;7.24,-5.3,;5.7,-2.63,;5.14,-4.73,;5.14,-6.27,;6.38,-7.18,;5.91,-8.64,;4.37,-8.64,;3.46,-9.89,;4.09,-11.3,;3.18,-12.54,;1.65,-12.38,;1.02,-10.98,;-.51,-10.81,;-1.41,-12.06,;1.93,-9.73,;3.89,-7.18,;2.42,-6.7,;1.28,-7.73,;-.18,-7.26,;-.5,-5.75,;.64,-4.72,;2.1,-5.2,;3.25,-4.17,;2.93,-2.66,;9.14,-.88,;9.14,.66,;10.47,1.43,;11.8,.66,;13.14,1.43,;11.8,-.88,;10.47,-1.65,)|
Structure:
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