Interaction Scheme

Molecule

Nandrolone
Nandrolone

c = 0.0 — 70.65 µM

Host

Cb7 heg bc
CB7-HEG-BC

c = 1.0 µM

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 3.37⋅104 ± 3873.79452 M-1
Kd =
logKa = 4.53 ± 0.05
T 25.0 °C 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -25.84 ± 0.29 -6.18 ± 0.07
These are the specifications of the determination of the experimental results.
Detection Method: Direct
Assay Type: Direct Binding Assay
Technique: Fluorescence
𝛌ex = 350.0 nm
𝛌em = 540.0 nm
Detailed information about the solvation.
Solvent System Single Solvent
Solvent water
Please find here information about the dataset this interaction is part of.
Citation:

L. M. Grimm, F. Biedermann, C. Hu, A. Prabodh, A. Baksi, A. Siennicka, P. Levkin, M. Kappes, SupraBank 2024, Covalent cucurbit[7]uril–dye conjugates for sensing in aqueous saline media and biofluids (dataset). https://doi.org/10.34804/supra.20210928300

Link: https://doi.org/10.34804/supra.20210928300
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Please find here information about the scholarly article describing the results derived from that data.
Citation:

C. Hu, L. Grimm, A. Prabodh, A. Baksi, A. Siennicka, P. A. Levkin, M. M. Kappes, F. Biedermann, Chem. Sci. 2020, 11, 11142–11153.

Link: https://doi.org/10.1039/D0SC03079A
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Binding Isotherm Simulations


The plot depicts the binding isotherm simulation of a 1:1 interaction of Nandrolone (0.0005938014424849097 M) and CB7-HEG-BC (0 — 0.0011876028849698195 M).