Reaction Details Report a problem with these data
Target
Apelin receptor
Ligand
BDBM37226
Substrate
n/a
Meas. Tech.
SAR analysis counterscreen of small molecule antagonists of the CCR6 receptor using an APJ receptor luminescent beta-arrestin assay
IC50
>66600±n/a nM
Citation
 PubChem, PC SAR analysis counterscreen of small molecule antagonists of the CCR6 receptor using an APJ receptor luminescent beta-arrestin assay PubChem Bioassay (2011)[AID] 
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:
BDBM37226
Synonyms:
7-(hydroxymethyl)-2-(2-phenylphenyl)-4,7a-dihydro-3aH-octahydro-1H-4,7-epoxyisoindole-1,3-dione | 7-methylol-2-(2-phenylphenyl)-4,7a-dihydro-3aH-octahydro-1H-4,7-epoxyisoindole-1,3-quinone | MLS000112144 | SMR000108060 | cid_2911166
Type:
Small organic molecule
Emp. Form.:
C21H17NO4
Mol. Mass.:
347.364
SMILES:
[H]C12OC(CO)(C=C1)c1c(O)n(c(O)c21)-c1ccccc1-c1ccccc1 |c:6,TLB:12:14:2:6.7,THB:9:8:2:6.7,(14.72,4.09,;14.74,2.55,;13.6,4.07,;14.34,1.07,;13.94,-.42,;15.03,-1.51,;17.16,-.1,;17.56,1.38,;11.67,-.47,;10.64,-1.61,;10.96,-3.12,;9.24,-.99,;9.4,.54,;9.19,2.06,;10.9,.86,;7.91,-1.76,;7.91,-3.3,;6.58,-4.07,;5.24,-3.3,;5.24,-1.76,;6.58,-.99,;5.59,.19,;6.11,1.64,;5.12,2.82,;3.61,2.55,;3.08,1.11,;4.07,-.07,)|
Structure:
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