Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Vitamin D3 receptor' and Ligand = 'BDBM50521021'   

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 (Mus musculus)	BDBM50521021 (CHEMBL4439766) Show SMILES [H][C@@]1(CC[C@@]2([H])[C@H](CCC[C@]12C)OC(=O)c1cccc(O)c1)[C@H](C)CCCC(C)(C)OC |r| Show InChI InChI=1S/C26H40O4/c1-18(9-7-15-25(2,3)29-5)21-13-14-22-23(12-8-16-26(21,22)4)30-24(28)19-10-6-11-20(27)17-19/h6,10-11,17-18,21-23,27H,7-9,12-16H2,1-5H3/t18-,21-,22+,23+,26-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
University of Connecticut Curated by ChEMBL					Assay Description Activation of VDR in mouse ASZ001 cells assessed as change in Cyp24A1 mRNA expression after 48 hrs by q-PCR analysis				Eur J Med Chem 162: 495-506 (2019) Article DOI: 10.1016/j.ejmech.2018.11.028 BindingDB Entry DOI: 10.7270/Q2RN3C88
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