Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Vitamin D3 receptor' and Ligand = 'BDBM50500279'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Vitamin D3 receptor (Homo sapiens (Human))	BDBM50500279 (CHEMBL3747383) Show SMILES CCn1c(ccc1C(CC)(CC)c1ccc(OCC(=O)C(C)(C)C)c(C)c1)C(=O)NCCN(C)C Show InChI InChI=1S/C29H45N3O3/c1-10-29(11-2,22-13-15-24(21(4)19-22)35-20-26(33)28(5,6)7)25-16-14-23(32(25)12-3)27(34)30-17-18-31(8)9/h13-16,19H,10-12,17-18,20H2,1-9H3,(H,30,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	77	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Agonist activity at vitamin D3 receptor in human HL-60 cells assessed as induction of cell differentiation after 96 hrs by NBT dye-based microscopic ...				Eur J Med Chem 107: 48-62 (2016) Article DOI: 10.1016/j.ejmech.2015.10.042 BindingDB Entry DOI: 10.7270/Q2QN69S0
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