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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 = 'BDBM50320747'   
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))
BDBM50320747
PNG
(CHEMBL1164241 | N-((R)-5-((1R,3aS,7aR,E)-4-(2-((3R...)
Show SMILES [#6]-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7]S([#7])(=O)=O)-[#6@H]1-[#6]-[#6]-[#6@H]2\[#6](-[#6]-[#6]-[#6][C@]12[#6])=[#6]\[#6]=[#6]-1/[#6]-[#6@@H](-[#8])-[#6]-[#6@H](-[#8])-[#6]-1 |r|
Show InChI InChI=1S/C24H42N2O4S/c1-17(6-3-4-13-26-31(25,29)30)22-10-11-23-19(7-5-12-24(22,23)2)9-8-18-14-20(27)16-21(28)15-18/h8-9,17,20-23,26-28H,3-7,10-16H2,1-2H3,(H2,25,29,30)/b19-9+/t17-,20-,21-,22-,23+,24-/m1/s1
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Similars

Article
PubMed
n/an/a 280n/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Binding affinity to VDR ligand binding domain by fluorescence polarization competition assay


Bioorg Med Chem 18: 4119-37 (2010)


Article DOI: 10.1016/j.bmc.2010.03.078
BindingDB Entry DOI: 10.7270/Q2154J17
More data for this
Ligand-Target Pair