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. 2021 Jun 16;26(12):3672. doi: 10.3390/molecules26123672

Table 2.

Docking scores (minimal, kcal/mol) of 1 and 10 from their binding to FIH-1, NF-κB, HDACs, IAPs, and PI3K.

Compd./Protein 1 10 Compd./Protein 1 10 Compd./Protein 1 10
FIH-1 −10.6 −9.2 HDAC8 −6.1 −8.3 XIAPBIR1 −6.0 −5.2
NF-κB (p50) −9.2 −7.7 HDAC6 −7.0 −8.8 cIAP1BIR1 −5.8 −6.2
NF-κB (p52) −8.5 −6.7 HDAC4 −5.3 −7.6 cIAP1BIR3 −5.7 −5.8
NF-κB (p65) −8.8 −7.1 ML-IAP −6.5 −6.3 XIAPBIR2 −6.1 −5.9
HDAC7 −6.9 −7.9 cIAP2BIR1 −5.9 −5.4 XIAPBIR3 −6.6 −5.2
HDAC1 −5.6 −8.3 cIAP2BIR3 −6.9 −6.1 PI3K −6.4 −7.2