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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Vitamin D3 receptor' and Ligand = 'BDBM93072'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM93072
PNG
(Vitamin D analog, 7)
Show SMILES [#6]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#8])-[#6]1-[#6]-[#6]-[#6]2\[#6](-[#6]-[#6]-[#6][C@]12[#6])=[#6]\[#6]=[#6]-1\[#6]-[#6@@H](-[#8])-[#6](=[#6])-[#6@H](-[#8])-[#6]-1 |r|
Show InChI InChI=1S/C25H40O3/c1-17(7-4-5-14-26)21-11-12-22-20(8-6-13-25(21,22)3)10-9-19-15-23(27)18(2)24(28)16-19/h9-10,17,21-24,26-28H,2,4-8,11-16H2,1,3H3/b20-10+/t17-,21?,22?,23+,24+,25+/m0/s1
PDB
MMDB

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Similars

Article
PubMed
0.300n/an/an/an/an/an/an/an/a



University of Wisconsin-Madison



Assay Description
In vitro study, VDR binding assay were performed as previously described.


Bioorg Chem 47: 9-16 (2013)


Article DOI: 10.1016/j.bioorg.2013.01.001
BindingDB Entry DOI: 10.7270/Q2FX782T
More data for this
Ligand-Target Pair