Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Vitamin D3 receptor' and Ligand = 'BDBM50544026'   

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))	BDBM50544026 (CHEMBL4637696) Show SMILES CC(C)c1onc(c1COc1ccc(cc1)-c1nc2ccc(cc2n1C1CCC1)C(O)=O)-c1c(Cl)cccc1Cl |(66.8,-13.31,;67.42,-11.9,;68.95,-11.74,;66.52,-10.66,;64.98,-10.66,;64.51,-9.2,;65.75,-8.29,;66.99,-9.2,;68.46,-8.72,;69.61,-9.75,;71.07,-9.28,;72.21,-10.31,;73.67,-9.83,;74,-8.32,;72.84,-7.29,;71.38,-7.78,;75.46,-7.85,;76.7,-8.75,;77.95,-7.84,;79.45,-8.15,;80.47,-7.01,;79.99,-5.55,;78.49,-5.24,;77.47,-6.38,;75.93,-6.38,;75.02,-5.13,;75.27,-3.6,;73.74,-3.37,;73.5,-4.89,;81.01,-4.39,;82.52,-4.71,;80.53,-2.93,;65.74,-6.75,;67.08,-5.97,;68.41,-6.74,;67.07,-4.42,;65.73,-3.66,;64.4,-4.43,;64.4,-5.97,;63.07,-6.75,)| Show InChI InChI=1S/C31H27Cl2N3O4/c1-17(2)29-22(28(35-40-29)27-23(32)7-4-8-24(27)33)16-39-21-12-9-18(10-13-21)30-34-25-14-11-19(31(37)38)15-26(25)36(30)20-5-3-6-20/h4,7-15,17,20H,3,5-6,16H2,1-2H3,(H,37,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Hiroshima International University Curated by ChEMBL					Assay Description Antagonist activity at human VDR transfected in HEK293T cells measured after 24 hrs by luciferase reporter gene assay				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115512 BindingDB Entry DOI: 10.7270/Q20G3PQ8
					More data for this Ligand-Target Pair