BindingDB PrimarySearch_ki

Search and Browse
- Target
- Compound
- Special tools
- Citation
- Special Data Sets
- Other Databases
  - PDB 85% 100% Seq ID
  - UniProtKB/Swiss-Prot
  - UniProtKB/TrEMBL
  - PubMed
Download
- All Compounds & Data
- Target Names &
  - Ki IC50 Kd EC50
  - ΔG° ΔH° -TΔS°
Enter Data

BDBM22854 1,2-Dione-Based Compound, 11::5,6-dinitro-1,2-dihydroacenaphthylenedione

SMILES: [O-][N+](=O)c1ccc2c3c(ccc([N+]([O-])=O)c13)c(=O)c2=O

InChI Key: InChIKey=HKNXJYVCBQHLBT-UHFFFAOYSA-N

Data: 4 KI

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 22854
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Liver carboxylesterase 1 (Human)	BDBM22854 (5,6-dinitro-1,2-dihydroacenaphthylenedione \| 1,2-D...) Show SMILES Show InChI	GoogleScholar	UniChem		570	-8.51	n/a	n/a	n/a	n/a	n/a	7.4	25
TBA									Citation and Details
TBA					More data for this Ligand-Target Pair
Coagulation factor XII (Human)	BDBM22854 (5,6-dinitro-1,2-dihydroacenaphthylenedione \| 1,2-D...) Show SMILES Show InChI	GoogleScholar	UniChem		620	-8.46	n/a	n/a	n/a	n/a	n/a	7.4	25
TBA									Citation and Details
TBA					More data for this Ligand-Target Pair
Acetylcholinesterase (Human)	BDBM22854 (5,6-dinitro-1,2-dihydroacenaphthylenedione \| 1,2-D...) Show SMILES Show InChI	GoogleScholar	UniChem		903	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
TBA					More data for this Ligand-Target Pair
Cholinesterase (Human)	BDBM22854 (5,6-dinitro-1,2-dihydroacenaphthylenedione \| 1,2-D...) Show SMILES Show InChI	GoogleScholar	UniChem		3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
TBA					More data for this Ligand-Target Pair