Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytoplasmic tyrosine-protein kinase BMX' and Ligand = 'BDBM50236074'   

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
Cytoplasmic tyrosine-protein kinase BMX (Homo sapiens (Human))	BDBM50236074 (CHEMBL4078199) Show SMILES CN1C(=O)N(Cc2cnc(Nc3ccc(C)c(NC(=O)C=C)c3)nc12)c1cc(NC(=O)[C@H]2CC[C@@H](CC2)C(F)(F)F)ccc1C |r,wU:31.33,wD:34.40,(73.75,-22.65,;73.76,-21.11,;75.1,-20.34,;76.44,-21.11,;75.1,-18.8,;73.77,-18.02,;72.45,-18.79,;71.13,-18.01,;69.79,-18.77,;69.78,-20.31,;68.44,-21.08,;68.43,-22.62,;67.08,-23.37,;67.07,-24.91,;68.41,-25.7,;68.4,-27.24,;69.75,-24.92,;71.09,-25.7,;72.43,-24.92,;72.43,-23.38,;73.75,-25.7,;73.73,-27.24,;69.76,-23.38,;71.1,-21.09,;72.43,-20.33,;76.43,-18.03,;77.77,-18.8,;79.11,-18.03,;80.45,-18.8,;81.78,-18.03,;81.78,-16.49,;83.11,-18.79,;84.43,-18.02,;85.76,-18.79,;85.76,-20.33,;84.43,-21.09,;83.11,-20.33,;87.09,-21.1,;88.42,-20.33,;87.08,-22.63,;88.41,-21.86,;79.1,-16.48,;77.77,-15.71,;76.43,-16.49,;75.1,-15.71,)| Show InChI InChI=1S/C32H34F3N7O3/c1-5-27(43)39-25-14-23(12-6-18(25)2)38-30-36-16-21-17-42(31(45)41(4)28(21)40-30)26-15-24(13-7-19(26)3)37-29(44)20-8-10-22(11-9-20)32(33,34)35/h5-7,12-16,20,22H,1,8-11,17H2,2-4H3,(H,37,44)(H,39,43)(H,36,38,40)/t20-,22-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.82E+3	n/a	n/a	n/a	n/a	n/a	n/a
High Magnetic Field Laboratory Curated by ChEMBL					Assay Description Inhibition of full-length recombinant human His-tagged BMX expressed in baculovirus expression system using Poly(4:1 Glu, Tyr) as substrate after 1 h...				J Med Chem 60: 1793-1816 (2017) Article DOI: 10.1021/acs.jmedchem.6b01413 BindingDB Entry DOI: 10.7270/Q2GH9M74
					More data for this Ligand-Target Pair