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SMILES: [H][C@@]1([#6]-[#6][C@@]2([H])\[#6](-[#6]-[#6]-[#6][C@]12[#6])=[#6]\[#6]=[#6]-1/[#6]-[#6@@H](-[#8])-[#6](=[#6])-[#6@H](-[#8])-[#6]-1)[#6@H](-[#6])-[#6@H](-[#6]-[#6])-[#6]C([#6])([#6])[#8]

InChI Key: InChIKey=YZQOCTWZVWCKEE-CCXVIJHQSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50013606   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Vitamin D3 receptor


(Homo sapiens (Human))
BDBM50013606
PNG
(CHEMBL3264163)
Show SMILES [H][C@@]1([#6]-[#6][C@@]2([H])\[#6](-[#6]-[#6]-[#6][C@]12[#6])=[#6]\[#6]=[#6]-1/[#6]-[#6@@H](-[#8])-[#6](=[#6])-[#6@H](-[#8])-[#6]-1)[#6@H](-[#6])-[#6@H](-[#6]-[#6])-[#6]C([#6])([#6])[#8] |r|
Show InChI InChI=1S/C28H46O3/c1-7-21(17-27(4,5)31)18(2)23-12-13-24-22(9-8-14-28(23,24)6)11-10-20-15-25(29)19(3)26(30)16-20/h10-11,18,21,23-26,29-31H,3,7-9,12-17H2,1-2,4-6H3/b22-11+/t18-,21-,23-,24+,25-,26-,28-/m1/s1
PDB
MMDB

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Similars

Article
PubMed
n/an/a 1.60n/an/an/an/an/an/a



Showa Pharmaceutical University

Curated by ChEMBL


Assay Description
Displacement of [3H]-1-alpha,25-dihydroxyvitamin D3 from N-terminal GST-tagged human recombinant VDR LBD expressed in Escherichia coli Rosetta2 (DE3)...


J Med Chem 57: 4351-67 (2014)


Article DOI: 10.1021/jm500392t
BindingDB Entry DOI: 10.7270/Q24M962V
More data for this
Ligand-Target Pair