Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM269514
Substrate
n/a
Meas. Tech.
[35S]GTPgammaS Binding Assay
pH
7.5±n/a
EC50
2.40±n/a nM
Comments
extracted
Citation
 Chen, N; Chen, X; Chen, Y; Fu, Z; Heath, JA; Horne, DB; Kaller, MR; Khakoo, AY; Kopecky, DJ; Ma, Z; Mihalic, JT; Swaminath, G; Wang, X; Yeh, W Methods of treating heart failure US Patent  US10058550 Publication Date 8/28/2018 
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:
BDBM269514
Synonyms:
(2R)-1-(5-fluoro-2-pyrimidinyl)-N-(4-(2-methoxyphenyl)-5-(6-methoxy-2-pyridinyl)-4H-1,2,4-triazol-3-yl)-2-propanesulfonamide, (2S)-1-(5-fluoro-2-pyrimidinyl)-N-(4-(2-methoxyphenyl)-5-(6-methoxy-2-pyridinyl)-4H-1,2,4-triazol-3-yl)-2-propanesulfonamide | US10058550, Example 31.0 | US10221162, Example 31.0 | US9845310, Example 31.0
Type:
Small organic molecule
Emp. Form.:
C22H22FN7O4S
Mol. Mass.:
499.518
SMILES:
COc1cccc(n1)-c1nnc(NS(=O)(=O)[C@H](C)Cc2ncc(F)cn2)n1-c1ccccc1OC |r,wD:16.17,(-8.76,-4.2,;-9.16,-2.71,;-8.07,-1.62,;-8.47,-.13,;-7.38,.96,;-5.89,.56,;-5.49,-.93,;-6.58,-2.02,;-4,-1.33,;-3.53,-2.79,;-1.99,-2.79,;-1.51,-1.33,;-.18,-.56,;1.15,-1.33,;.38,-2.66,;1.92,-2.66,;2.49,-.56,;2.49,.98,;3.82,-1.33,;5.16,-.56,;6.49,-1.33,;7.82,-.56,;7.82,.98,;9.16,1.75,;6.49,1.75,;5.16,.98,;-2.76,-.42,;-2.76,1.12,;-1.42,1.89,;-1.42,3.43,;-2.76,4.2,;-4.09,3.43,;-4.09,1.89,;-5.43,1.12,;-6.76,1.89,)|
Structure:
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