Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Vitamin D3 receptor' and Ligand = 'BDBM50544024'   

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))	BDBM50544024 (CHEMBL4637878) Show SMILES CCC(CC)n1c(nc2ccc(cc12)C(O)=O)-c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C(C)C)cc1Cl |(15.67,-43.63,;16.57,-44.87,;18.1,-44.71,;18.72,-43.31,;17.81,-42.07,;19.01,-45.96,;18.53,-47.42,;19.78,-48.32,;21.02,-47.42,;22.52,-47.73,;23.55,-46.58,;23.07,-45.12,;21.57,-44.81,;20.55,-45.95,;24.09,-43.97,;25.6,-44.28,;23.6,-42.5,;17.07,-47.9,;16.74,-49.41,;15.28,-49.88,;14.14,-48.85,;12.67,-49.33,;11.53,-48.29,;10.06,-48.77,;9.58,-50.24,;8.04,-50.24,;7.57,-48.77,;8.81,-47.86,;8.8,-46.32,;10.14,-45.55,;11.48,-46.32,;10.14,-43.99,;8.8,-43.23,;7.47,-44,;7.46,-45.55,;6.14,-46.32,;10.49,-51.48,;9.86,-52.89,;12.02,-51.32,;14.45,-47.35,;15.91,-46.87,;16.23,-45.36,)| Show InChI InChI=1S/C32H30Cl3N3O4/c1-5-19(6-2)38-27-14-18(32(39)40)10-13-26(27)36-31(38)21-12-11-20(15-25(21)35)41-16-22-29(37-42-30(22)17(3)4)28-23(33)8-7-9-24(28)34/h7-15,17,19H,5-6,16H2,1-4H3,(H,39,40)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.01E+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