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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 = 'BDBM50013642'   
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))		BDBM50013642
PNG
(CHEMBL3264169)
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([#8])([#6]-[#6])[#6]-[#6] |r|
Show InChI InChI=1S/C30H50O3/c1-7-23(19-30(33,8-2)9-3)20(4)25-14-15-26-24(11-10-16-29(25,26)6)13-12-22-17-27(31)21(5)28(32)18-22/h12-13,20,23,25-28,31-33H,5,7-11,14-19H2,1-4,6H3/b24-13+/t20-,23-,25-,26+,27-,28-,29-/m1/s1
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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