Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Vitamin D3 receptor' and Ligand = 'BDBM50500278'   

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))	BDBM50500278 (CHEMBL3747218) Show SMILES CCn1c(ccc1C(CC)(CC)c1ccc(OCC(O)C(C)(C)C)c(C)c1)C(=O)NCC#C Show InChI InChI=1S/C28H40N2O3/c1-9-17-29-26(32)22-14-16-24(30(22)12-4)28(10-2,11-3)21-13-15-23(20(5)18-21)33-19-25(31)27(6,7)8/h1,13-16,18,25,31H,10-12,17,19H2,2-8H3,(H,29,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Binding affinity to vitamin D3 receptor (unknown origin) after 4 hrs using fluormone VDR red by polar screen VDR competitor assay				Eur J Med Chem 107: 48-62 (2016) Article DOI: 10.1016/j.ejmech.2015.10.042 BindingDB Entry DOI: 10.7270/Q2QN69S0
					More data for this Ligand-Target Pair
Vitamin D3 receptor (Homo sapiens (Human))	BDBM50500278 (CHEMBL3747218) Show SMILES CCn1c(ccc1C(CC)(CC)c1ccc(OCC(O)C(C)(C)C)c(C)c1)C(=O)NCC#C Show InChI InChI=1S/C28H40N2O3/c1-9-17-29-26(32)22-14-16-24(30(22)12-4)28(10-2,11-3)21-13-15-23(20(5)18-21)33-19-25(31)27(6,7)8/h1,13-16,18,25,31H,10-12,17,19H2,2-8H3,(H,29,32)	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	240	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
					More data for this Ligand-Target Pair