Brief Information of the Compound and Protein
Compound Name
1-hydroxy-2-naphthoic acid;4-[1-hydroxy-2-[6-(4-phenylbutoxy)hexylamino]ethyl]-2-methylol-phenol
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PubChem ID
CID: 5152
SID: 14904552
Canonical SMILES
OCc1cc(ccc1O)C(O)CNCCCCCCOCCCCc1ccccc1
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Compound Formula C25H37NO4
Compound Structure
Protein Name
Beta-2 adrenergic receptor
Protein Classification
Membrane receptor
>
Family A G protein-coupled receptor
>
Small molecule receptor (family A GPCR)
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Monoamine receptor
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Adrenergic receptor
Uniprot ID
P07550
Gene Name
ADRB2
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000612 BEAS-2B Homo sapiens (Human)  1
1
EC50 = 0.5012 nM
   TI
   LI
   LO
   TS
CL000011 CHO Cricetulus griseus (Chinese hamster)  8
1
Activity = 0.07 nM
   TI
   LI
   LO
   TS
2
EC50 = 0.07 nM
   TI
   LI
   LO
   TS
3
EC50 = 0.2512 nM
   TI
   LI
   LO
   TS
4
Kd = 1100 nM
   TI
   LI
   LO
   TS
5
Ki = 0.18 nM
   TI
   LI
   LO
   TS
6
Ki = 0.25 nM
   TI
   LI
   LO
   TS
7
Ki = 0.39 nM
   TI
   LI
   LO
   TS
8
Ki = 3.2 nM
   TI
   LI
   LO
   TS
CL000053 COS-7 Chlorocebus aethiops (Green monkey)  2
1
Ki = 1.5 nM
   TI
   LI
   LO
   TS
2
Ki = 184 nM
   TI
   LI
   LO
   TS
CL000025 HEK-293T Homo sapiens (Human)  3
1
EC50 = 0.07943 nM
   TI
   LI
   LO
   TS
2
EC50 = 0.1259 nM
   TI
   LI
   LO
   TS
3
EC50 = 0.7943 nM
   TI
   LI
   LO
   TS
CL000006 HEK293 Homo sapiens (Human)  5
1
EC50 = 0.04467 nM
   TI
   LI
   LO
   TS
2
EC50 = 0.07762 nM
   TI
   LI
   LO
   TS
3
EC50 = 0.1349 nM
   TI
   LI
   LO
   TS
4
EC50 = 0.33 nM
   TI
   LI
   LO
   TS
5
Ki = 2.4 nM
   TI
   LI
   LO
   TS
CL000246 NCI-H292 Homo sapiens (Human)  1
1
EC50 = 0.7943 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 5.012 nM
2 Ki = 1 nM
3 Ki = 3.2 nM