Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Retinoic acid receptor RXR-alpha/Vitamin D3 receptor' and Ligand = 'BDBM50469127'   

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
Retinoic acid receptor RXR-alpha/Vitamin D3 receptor (Homo sapiens (Human))	BDBM50469127 (CHEMBL4288947) Show SMILES CCN(CC)CCNC(=O)c1ccc(n1CC)C(CC)(CC)c1ccc(OCSC)c(C)c1 Show InChI InChI=1S/C27H43N3O2S/c1-8-27(9-2,22-13-15-24(21(6)19-22)32-20-33-7)25-16-14-23(30(25)12-5)26(31)28-17-18-29(10-3)11-4/h13-16,19H,8-12,17-18,20H2,1-7H3,(H,28,31)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	6.40	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Transactivation of recombinant human VDR/RXRalpha expressed in HEK293 cells after 24 hrs by Dual-luciferase reporter gene assay				Eur J Med Chem 157: 1174-1191 (2018) Article DOI: 10.1016/j.ejmech.2018.08.085 BindingDB Entry DOI: 10.7270/Q2WH2SQJ
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