Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Nuclear receptor ROR-beta' and Ligand = 'BDBM50012262'   

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
Nuclear receptor ROR-beta (Homo sapiens (Human))	BDBM50012262 (CHEMBL1090463) Show SMILES OC(c1ccc2n(CC3CCCCC3)c(=O)c3ccccc3c2c1)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C23H21F6NO2/c24-22(25,26)21(32,23(27,28)29)15-10-11-19-18(12-15)16-8-4-5-9-17(16)20(31)30(19)13-14-6-2-1-3-7-14/h4-5,8-12,14,32H,1-3,6-7,13H2	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Inverse agonist activity at human ROR-beta expressed in HEK293 cells after 16 hrs by luciferase reporter gene assay				Bioorg Med Chem 22: 2799-808 (2014) Article DOI: 10.1016/j.bmc.2014.03.007 BindingDB Entry DOI: 10.7270/Q28K7BN8
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