BDBM50013605 CHEMBL3264162

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]-[#6])-[#6]C([#6])([#6])[#8]

InChI Key: InChIKey=DOQSQKAGYRKVHH-KSIOFUFLSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50013605   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Vitamin D3 receptor (Homo sapiens (Human))	BDBM50013605 (CHEMBL3264162) 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]-[#6])-[#6]C([#6])([#6])[#8] |r| Show InChI InChI=1S/C30H50O3/c1-7-8-10-24(19-29(4,5)33)20(2)25-14-15-26-23(11-9-16-30(25,26)6)13-12-22-17-27(31)21(3)28(32)18-22/h12-13,20,24-28,31-33H,3,7-11,14-19H2,1-2,4-6H3/b23-13+/t20-,24-,25-,26+,27-,28-,30-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.120	n/a	n/a	n/a	n/a	n/a	n/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