,,Brd4(D1),BrdT(D1),Brd4(D2),BrdT(D2),,Brd4(D1),BrdT(D1),Brd2(D1),Brd3(D1),Brd4(D2),Brd2(D2),Brd3(D2),,Brd4(D1),,p38__,,MM.1S Cell Viability
Compound,SMILES,FA IC50 (µM) ,FA IC50 (µM) ,FA IC50 (µM) ,FA IC50 (µM) ,,Alphascreen (JQ1 competitive) Kd (µM),Alphascreen (JQ1 competitive) Kd (µM),Alphascreen (JQ1 competitive) Kd (µM),Alphascreen (JQ1 competitive) Kd (µM),Alphascreen (JQ1 competitive) Kd (µM),Alphascreen (JQ1 competitive) Kd (µM),Alphascreen (JQ1 competitive) Kd (µM),,ITC Kd (µM),,Kinomescan Kd (nM),,"IC50 (µM), 72 h"
I,FC1=CC=C(C2=C(C3=CC=NC(OC4=CC(C)=CC(C)=C4)=N3)N(C5CCNCC5)C=N2)C=C1,3.7 ± 1,18 ± 0.5,N/D,--,,N/D,N/D,N/D,N/D,N/D,N/D,N/D,,N/D,,N/D,,N/D
II,FC1=CC=C(C2=C(C3=CC=NC(OC4=CC=C(C)C=C4)=N3)N(C5CCNCC5)C=N2)C=C1,24 ± 0.8,88 ± 8,N/D,--,,N/D,N/D,N/D,N/D,N/D,N/D,N/D,,N/D,,N/D,,N/D
III,FC1=CC=C(C2=C(C3=CC=NC(OC4=CC(C)=C(C)C=C4)=N3)N(C5CCNCC5)C=N2)C=C1,2.9 ± 0.2,13 ± 3,N/D,--,,N/D,N/D,N/D,N/D,N/D,N/D,N/D,,N/D,,N/D,,N/D
IV,FC1=CC=C(C2=C(C3=CC=NC(NC4=CC(C)=C(C)C=C4)=N3)N(C5CCNCC5)C=N2)C=C1,1.3 ± 0.2,4.7 ± 1,--,--,,N/D,N/D,N/D,N/D,N/D,N/D,N/D,,1.8,,N/D,,0.94 ± 0.1
V,FC1=CC=C(C2=C(C3=CC=NC(NC4=CC(C)=CC(C)=C4)=N3)N(C5CCNCC5)C=N2)C=C1,1.7 ± 0.4,3.4 ± 0.5,--,--,,1.79,5.33,29,11.2,>100,67.1,>100,,1.2,,0.47 ± 0.11,,2.3 ± 0.4
VI,FC(C=C1)=CC=C1C2=C(C3=CC=NC(NC4=CC(F)=CC(F)=C4)=N3)N(C5CCNCC5)C=N2,--,--,N/D,--,,N/D,N/D,N/D,N/D,N/D,N/D,N/D,,N/D,,N/D,,N/D
VII,FC(C=C1)=CC=C1C2=C(C3=CC=NC(NC4=CC(C)=CC(C)=C4)=N3)N(C5CCNCC5)N=N2,N/D,N/D,N/D,N/D,,27,36,43,51,75,30,110,,N/D,,N/D,,N/D
VIII,OCC1=C(C2=CC=NC(NC3=CC(C)=CC(C)=C3)=N2)N(C4CCNCC4)N=N1,N/D,N/D,N/D,N/D,,160,110,>250,200,102,260,310,,N/D,,N/D,,N/D
IX,CC1=C(C2=CC=NC(NC3=CC(C)=CC(C)=C3)=N2)N(C4CCNCC4)N=N1,N/D,N/D,N/D,N/D,,1.3,1.6,1.8,0.77,0.56,12,2.4,,N/D,,N/D,,N/D