Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Nuclear factor NF-kappa-B p105 subunit' and Ligand = 'BDBM50062645'   

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 factor NF-kappa-B p105 subunit (Homo sapiens (Human))	BDBM50062645 (3-[(2-Chloro-4-trifluoromethyl-pyrimidine-5-carbon...) Show SMILES CCCCOC(=O)c1cc(NC(=O)c2cnc(Cl)nc2C(F)(F)F)cc(c1)C(F)(F)F Show InChI InChI=1S/C18H14ClF6N3O3/c1-2-3-4-31-15(30)9-5-10(17(20,21)22)7-11(6-9)27-14(29)12-8-26-16(19)28-13(12)18(23,24)25/h5-8H,2-4H2,1H3,(H,27,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Signal Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description In vitro inhibitory activity against human Jurkat T-Cells stably transfected with an Nuclear factor kappa B transcription factor				J Med Chem 41: 413-9 (1998) Article DOI: 10.1021/jm970671g BindingDB Entry DOI: 10.7270/Q2P55MMZ
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