Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Nuclear receptor ROR-alpha' and Ligand = 'BDBM50434248'   

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))	BDBM50434248 (CHEMBL2385735) Show SMILES COc1cc(ccc1OCc1ccccc1)C1NC(=O)N=C(C)C1C(=O)OCC(F)(F)F |t:22| Show InChI InChI=1S/C22H21F3N2O5/c1-13-18(20(28)32-12-22(23,24)25)19(27-21(29)26-13)15-8-9-16(17(10-15)30-2)31-11-14-6-4-3-5-7-14/h3-10,18-19H,11-12H2,1-2H3,(H,27,29)	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	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a
Genfit SA Curated by ChEMBL					Assay Description Partial agonist activity at GST-fussed RORalpha (unknown origin) assessed as recruitment of TIF2-BAP protein after overnight incubation by pull down ...				ACS Med Chem Lett 4: 504-8 (2013) Article DOI: 10.1021/ml300471d BindingDB Entry DOI: 10.7270/Q22R3T1B
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