Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Bromodomain testis-specific protein [21-137]' and Ligand = 'BDBM205452'   

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
Bromodomain testis-specific protein [21-137] (Homo sapiens (Human))	BDBM205452 (IBETx2-PEG7 (34)) Show SMILES COc1cc2c3n([C@@H](C)c4ccccn4)c(=O)n(CC(=O)NCCOCCOCCOCCOCCOCCOCCOCCNC(=O)Cn4c5cnc6cc(-c7c(C)noc7C)c(OC)cc6c5n([C@H](C)c5ccccn5)c4=O)c3cnc2cc1-c1c(C)noc1C |r,wD:70.74,7.7,(-6.8,-1.11,;-5.46,-.34,;-4.13,.43,;-2.8,-.34,;-1.46,.43,;-.13,-.34,;.35,-1.8,;-.66,-2.74,;-2.2,-2.35,;-.22,-3.91,;1.32,-3.91,;2.09,-5.24,;1.32,-6.58,;-.22,-6.58,;-.99,-5.24,;1.89,-1.8,;2.66,-3.14,;2.36,-.34,;3.7,.43,;5.45,-.22,;5.94,-1.68,;6.84,1.15,;8.15,.06,;9.26,.83,;10.6,.06,;11.93,.83,;13.26,.06,;14.6,.83,;15.69,-.26,;17.02,.51,;18.11,-.58,;19.77,.19,;20.78,-.58,;22.33,.52,;23.97,-.57,;24.75,.2,;26.09,-.57,;27.42,.2,;28.75,-.57,;30.09,.2,;31.42,-.57,;32.76,.2,;34.09,-.57,;35.42,.2,;36.76,-.57,;38.31,.33,;39.75,-.44,;39.64,-2.53,;40.84,.65,;42.17,-.12,;43.33,.65,;43.33,2.19,;44.66,2.96,;46,2.19,;47.33,2.96,;48.67,2.19,;50,2.96,;51.33,2.19,;51.33,.65,;52.42,3.28,;51.72,4.65,;50.2,4.41,;49.11,5.5,;48.67,.65,;50,-.12,;51.33,-.89,;47.33,-.12,;46,.65,;44.66,-.12,;44.19,-1.59,;45.19,-2.52,;46.73,-2.14,;44.75,-3.69,;43.21,-3.69,;42.44,-5.03,;43.21,-6.36,;44.75,-6.36,;45.52,-5.03,;42.65,-1.59,;41.88,-2.92,;1.2,.43,;1.2,1.97,;-.13,2.74,;-1.46,1.97,;-2.8,2.74,;-4.13,1.97,;-5.46,2.74,;-6.8,1.97,;-6.8,.43,;-7.89,3.06,;-7.19,4.43,;-5.67,4.19,;-4.58,5.28,)| Show InChI InChI=1S/C66H78N12O15/c1-41-61(45(5)92-73-41)49-33-53-47(35-57(49)83-7)63-55(37-71-53)75(65(81)77(63)43(3)51-13-9-11-15-67-51)39-59(79)69-17-19-85-21-23-87-25-27-89-29-31-91-32-30-90-28-26-88-24-22-86-20-18-70-60(80)40-76-56-38-72-54-34-50(62-42(2)74-93-46(62)6)58(84-8)36-48(54)64(56)78(66(76)82)44(4)52-14-10-12-16-68-52/h9-16,33-38,43-44H,17-32,39-40H2,1-8H3,(H,69,79)(H,70,80)/t43-,44+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13.6	n/a	n/a	n/a	n/a	7.5	25
Dana-Farber Cancer Institute					Assay Description Assays were performed with minor modifications from the manufacturer's protocol (PerkinElmer, USA). All reagents were diluted in 50 mM HEPES, 150...				Nat Chem Biol 12: 1089-1096 (2016) Article DOI: 10.1038/nchembio.2209 BindingDB Entry DOI: 10.7270/Q2VQ31HW
					More data for this Ligand-Target Pair