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

BDBM33218 Adenine, 1::CHEMBL226345::purine, 6

SMILES: Nc1ncnc2nc[nH]c12

InChI Key: InChIKey=GFFGJBXGBJISGV-UHFFFAOYSA-N

Data: 4 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 33218
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
Heat shock protein HSP 90-beta (Human)	BDBM33218 (CHEMBL226345 \| Adenine, 1 \| purine, 6) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>4.00E+6	n/a	n/a	n/a	n/a	7.4	23
TBA									Citation and Details
TBA					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Human)	BDBM33218 (CHEMBL226345 \| Adenine, 1 \| purine, 6) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	7.56E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
TBA					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Human)	BDBM33218 (CHEMBL226345 \| Adenine, 1 \| purine, 6) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
TBA					More data for this Ligand-Target Pair
Xanthine dehydrogenase/oxidase (Human)	BDBM33218 (CHEMBL226345 \| Adenine, 1 \| purine, 6) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.09E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
TBA					More data for this Ligand-Target Pair