Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Vitamin D3 receptor' and Ligand = 'BDBM50544015'   

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))	BDBM50544015 (CHEMBL4641850) Show SMILES CC(C)c1onc(c1COc1ccc(cc1)-c1nc2ccc(cc2n1C1CC1)C(O)=O)-c1c(Cl)cccc1Cl |(37.25,-13.03,;37.88,-11.63,;39.41,-11.47,;36.98,-10.38,;35.44,-10.38,;34.96,-8.92,;36.2,-8.01,;37.45,-8.92,;38.92,-8.44,;40.06,-9.47,;41.53,-9,;42.67,-10.03,;44.13,-9.56,;44.46,-8.05,;43.3,-7.01,;41.84,-7.5,;45.92,-7.57,;47.16,-8.47,;48.4,-7.56,;49.9,-7.87,;50.93,-6.73,;50.45,-5.27,;48.95,-4.96,;47.93,-6.1,;46.39,-6.1,;45.48,-4.86,;45.32,-3.32,;44.07,-4.24,;51.47,-4.11,;52.98,-4.43,;50.98,-2.65,;36.19,-6.47,;37.53,-5.69,;38.87,-6.47,;37.53,-4.14,;36.19,-3.38,;34.86,-4.15,;34.86,-5.69,;33.53,-6.47,)| Show InChI InChI=1S/C30H25Cl2N3O4/c1-16(2)28-21(27(34-39-28)26-22(31)4-3-5-23(26)32)15-38-20-11-6-17(7-12-20)29-33-24-13-8-18(30(36)37)14-25(24)35(29)19-9-10-19/h3-8,11-14,16,19H,9-10,15H2,1-2H3,(H,36,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.20E+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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