Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM270042
Substrate
n/a
Meas. Tech.
[35S]GTPgammaS Binding Assay
pH
7.5±n/a
EC50
0.082±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:
BDBM270042
Synonyms:
(1S,2S)-1-(5-chloropyrimidin-2-yl)-N-(4-(2,6-dimethoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)-1-ethoxypropane-2-sulfonamide or (1S,2R)-1-(5-chloropyrimidin-2-yl)-N-(4-(2,6-dimethoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)-1-ethoxypropane-2-sulfonamide or (1R,2R)-1-(5-chloropyrimidin-2-yl)-N-(4-(2,6-dimethoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)-1-ethoxypropane-2-sulfonamide | US10058550, Example 604.0 | US10058550, Example 606.0 | US10058550, Example 607.0 | US10221162, Example 607.0 | US9845310, Example 607.0
Type:
Small organic molecule
Emp. Form.:
C24H26ClN7O5S
Mol. Mass.:
560.025
SMILES:
CCO[C@H]([C@H](C)S(=O)(=O)Nc1nnc(-c2cccnc2)n1-c1c(OC)cccc1OC)c1ncc(Cl)cn1 |r,wU:3.2,wD:4.4,(4.51,-17.86,;2.98,-18.03,;2.08,-16.78,;.55,-16.94,;-.36,-15.69,;-1.89,-15.86,;.27,-14.29,;-1.14,-13.66,;1.67,-14.91,;.89,-12.88,;-.01,-11.64,;-1.55,-11.64,;-2.03,-10.17,;-.78,-9.27,;-.78,-7.73,;.55,-6.96,;.55,-5.42,;-.78,-4.65,;-2.12,-5.42,;-2.12,-6.96,;.46,-10.17,;1.93,-9.69,;3.07,-10.73,;2.75,-12.23,;3.9,-13.26,;4.54,-10.25,;4.86,-8.74,;3.71,-7.71,;2.25,-8.19,;1.1,-7.16,;1.42,-5.65,;-.08,-18.35,;.82,-19.59,;.2,-21,;-1.33,-21.16,;-1.96,-22.57,;-2.24,-19.92,;-1.61,-18.51,)|
Structure:
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