Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Nuclear receptor ROR-alpha' and Ligand = 'BDBM50012248'   

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-alpha (Homo sapiens (Human))	BDBM50012248 (CHEMBL1765167) Show SMILES CCCCn1c2cc(OC)c(cc2c2ccccc2c1=O)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C21H19F6NO3/c1-3-4-9-28-16-11-17(31-2)15(19(30,20(22,23)24)21(25,26)27)10-14(16)12-7-5-6-8-13(12)18(28)29/h5-8,10-11,30H,3-4,9H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.80E+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-alpha1 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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