Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-1,3,25-triol
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 PubChem ID
CID: 5280453
SID: 12012574
Canonical SMILES
C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C
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Compound Formula C27H44O3
Compound Structure
Protein Name
 Protein Info 
Vitamin D3 receptor
Protein Classification
Transcription factor
>
Nuclear receptor
>
Nuclear hormone receptor subfamily 1
>
Nuclear hormone receptor subfamily 1 group I
>
Nuclear hormone receptor subfamily 1 group I member 1
Uniprot ID
P11473
Gene Name
VDR
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000034 Caco-2
 Cell Line Info 
Homo sapiens (Human)  2
1
EC50 = 3.52 nM
   TI
   LI
   LO
   TS
2
EC50 = 223.4 nM
   TI
   LI
   LO
   TS
CL000109 COS-1
 Cell Line Info 
Chlorocebus aethiops (Green monkey)  1
1
IC50 = 0.8 nM
   TI
   LI
   LO
   TS
CL000053 COS-7
 Cell Line Info 
Chlorocebus aethiops (Green monkey)  1
1
EC50 = 0.5 nM
   TI
   LI
   LO
   TS
CL000150 HaCaT
 Cell Line Info 
Homo sapiens (Human)  1
1
EC50 = 249.7 nM
   TI
   LI
   LO
   TS
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  5
1
EC50 = 0.12 nM
   TI
   LI
   LO
   TS
2
EC50 = 0.6 nM
   TI
   LI
   LO
   TS
3
EC50 = 1 nM
   TI
   LI
   LO
   TS
4
EC50 = 3 nM
   TI
   LI
   LO
   TS
5
IC50 = 0.1 nM
   TI
   LI
   LO
   TS
CL000017 HeLa
 Cell Line Info 
Homo sapiens (Human)  2
1
EC50 = 1 nM
   TI
   LI
   LO
   TS
2
EC50 = 2.5 nM
   TI
   LI
   LO
   TS
CL000018 HL-60
 Cell Line Info 
Homo sapiens (Human)  1
1
EC50 = 9 nM
   TI
   LI
   LO
   TS
CL000149 HOS
 Cell Line Info 
Homo sapiens (Human)  2
1
EC50 = 0.01 nM
   TI
   LI
   LO
   TS
2
EC50 = 0.011 nM
   TI
   LI
   LO
   TS
CL000148 Huh-7
 Cell Line Info 
Homo sapiens (Human)  1
1
EC50 = 0.3 nM
   TI
   LI
   LO
   TS
CL000001 Jurkat
 Cell Line Info 
Homo sapiens (Human)  1
1
EC50 = 3.936 nM
   TI
   LI
   LO
   TS
CL000083 MCF-7
 Cell Line Info 
Homo sapiens (Human)  1
1
EC50 = 1.6 nM
   TI
   LI
   LO
   TS
CL000994 ROS 17/2.8
 Cell Line Info 
Rattus norvegicus (Rat)  1
1
ED50 = 1.5 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 EC50 = 0.1 nM
2 EC50 = 7.7 nM
3 EC50 = 15 nM
4 ED50 = 0.5 nM
5 IC50 = 0.35 nM
6 IC50 = 0.7 nM
7 IC50 = 1.13 nM
8 IC50 = 1.24 nM
9 IC50 = 1.3 nM
10 IC50 = 1.42 nM
11 IC50 = 9.3 nM
12 IC50 = 13 nM
13 Kd = 0.065 nM