Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM507210
Substrate
n/a
Meas. Tech.
[35S]GTPgammaS Binding
EC50
50.0±n/a nM
Citation
 Chen, N; Chen, X; Chen, Y; Cheng, AC; Connors, RV; Deignan, J; Dransfield, PJ; Du, X; Fu, Z; Harvey, JS; Heath, JA; Heumann, LV; Horne, DB; Houze, J; Kaller, MR; Kayser, F; Khakoo, AY; Kopecky, DJ; Lai, S; Ma, Z; Medina, JC; Mihalic, JT; Nishimura, N; Olson, SH; Pattaropong, V; Swaminath, G; Wang, X; Wanska, M; Yang, K; Yeh, W Heteroaryl-substituted triazoles as APJ receptor agonists US Patent  US11046680 Publication Date 6/29/2021 
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:
BDBM507210
Synonyms:
US11046680, Example 88.0
Type:
Small organic molecule
Emp. Form.:
C24H25N9O5S
Mol. Mass.:
551.578
SMILES:
COc1ncnc(OC)c1-n1c(NS(=O)(=O)[C@@H](C)[C@H](C)c2ncc(C)cn2)nnc1-c1noc2ccccc12 |r,wU:18.19,16.17,(1.24,2.36,;-.08,1.57,;-1.43,2.32,;-1.57,3.87,;-2.88,4.64,;-4.19,3.9,;-4.22,2.35,;-5.55,1.56,;-6.75,2.54,;-2.88,1.58,;-2.91,.03,;-1.65,-.87,;-.2,-.41,;1.13,-1.17,;-.18,-1.94,;2.47,-1.94,;2.44,-.38,;2.47,1.12,;3.83,-1.15,;3.81,-2.7,;5.14,-.38,;6.45,-1.17,;7.79,-.41,;7.82,1.15,;9.13,1.91,;6.45,1.91,;5.12,1.15,;-2.11,-2.35,;-3.67,-2.35,;-4.13,-.9,;-5.69,-.87,;-6.56,.38,;-8.04,-.11,;-8.04,-1.64,;-9.13,-2.65,;-8.83,-4.18,;-7.38,-4.64,;-6.26,-3.63,;-6.56,-2.1,)|
Structure:
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