Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Vitamin D3 receptor' and Ligand = 'BDBM50544018'   

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))	BDBM50544018 (CHEMBL4632780) Show SMILES CC(C)c1onc(c1COc1ccc(cc1)-c1nc2ccc(cc2n1CC(C)(C)C)C(O)=O)-c1c(Cl)cccc1Cl |(67.86,-53.83,;68.48,-52.42,;70.01,-52.26,;67.58,-51.18,;66.04,-51.18,;65.56,-49.71,;66.8,-48.8,;68.05,-49.71,;69.52,-49.23,;70.67,-50.26,;72.13,-49.79,;73.28,-50.82,;74.74,-50.35,;75.06,-48.84,;73.91,-47.8,;72.45,-48.29,;76.53,-48.36,;77.77,-49.26,;79.02,-48.35,;80.52,-48.67,;81.54,-47.52,;81.06,-46.06,;79.56,-45.75,;78.54,-46.89,;77,-46.89,;76.09,-45.65,;76.71,-44.24,;75.81,-43,;78.24,-44.08,;77.46,-42.91,;82.08,-44.9,;83.59,-45.22,;81.6,-43.44,;66.8,-47.26,;68.14,-46.48,;69.47,-47.26,;68.13,-44.93,;66.79,-44.17,;65.46,-44.94,;65.46,-46.48,;64.13,-47.26,)| Show InChI InChI=1S/C32H31Cl2N3O4/c1-18(2)29-22(28(36-41-29)27-23(33)7-6-8-24(27)34)16-40-21-12-9-19(10-13-21)30-35-25-14-11-20(31(38)39)15-26(25)37(30)17-32(3,4)5/h6-15,18H,16-17H2,1-5H3,(H,38,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	861	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