Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Vitamin D3 receptor' and Ligand = 'BDBM50544010'   

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))	BDBM50544010 (CHEMBL4639724) Show SMILES CCn1c(nc2ccc(cc12)C(O)=O)-c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C(C)C)cc1 |(73.99,-22.86,;73.37,-24.26,;74.28,-25.51,;73.8,-26.97,;75.05,-27.87,;76.29,-26.97,;77.79,-27.28,;78.82,-26.14,;78.34,-24.67,;76.84,-24.36,;75.82,-25.51,;79.36,-23.52,;80.86,-23.84,;78.87,-22.05,;72.34,-27.45,;72.01,-28.96,;70.56,-29.43,;69.41,-28.4,;67.95,-28.88,;66.8,-27.84,;65.33,-28.32,;64.86,-29.79,;63.32,-29.79,;62.84,-28.32,;64.09,-27.42,;64.08,-25.87,;65.42,-25.1,;66.75,-25.87,;65.41,-23.55,;64.07,-22.79,;62.74,-23.55,;62.74,-25.1,;61.41,-25.87,;65.76,-31.03,;65.14,-32.44,;67.29,-30.87,;69.72,-26.9,;71.19,-26.42,)| Show InChI InChI=1S/C29H25Cl2N3O4/c1-4-34-24-14-18(29(35)36)10-13-23(24)32-28(34)17-8-11-19(12-9-17)37-15-20-26(33-38-27(20)16(2)3)25-21(30)6-5-7-22(25)31/h5-14,16H,4,15H2,1-3H3,(H,35,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.76E+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
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