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

BDBM50182122 CHEMBL204688::bis(2,4-dinitrophenyl)sulfane

SMILES: [O-][N+](=O)c1ccc(Sc2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)c(c1)[N+]([O-])=O

InChI Key: InChIKey=DMIUPZAMXYQKBR-UHFFFAOYSA-N

Data: 2 KI 2 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50182122
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
Thioredoxin reductase (Plasmodium falciparum (isolate 3D7))	BDBM50182122 (bis(2,4-dinitrophenyl)sulfane \| CHEMBL204688) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
TBA					More data for this Ligand-Target Pair
Thioredoxin reductase 1, cytoplasmic/2, mitochondrial/3 (Human)	BDBM50182122 (bis(2,4-dinitrophenyl)sulfane \| CHEMBL204688) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
TBA					More data for this Ligand-Target Pair
Thioredoxin reductase (Plasmodium falciparum (isolate 3D7))	BDBM50182122 (bis(2,4-dinitrophenyl)sulfane \| CHEMBL204688) Show SMILES Show InChI	GoogleScholar	UniChem		200	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
Thioredoxin reductase (Plasmodium falciparum (isolate 3D7))	BDBM50182122 (bis(2,4-dinitrophenyl)sulfane \| CHEMBL204688) Show SMILES Show InChI	GoogleScholar	UniChem		200	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