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

BDBM50437188 CHEMBL2401954

SMILES: CNC(=O)[C@@]12C[C@@H]1[C@H]([C@H](O)[C@@H]2O)n1cnc2c(NCc3cccc(Cl)c3)nc(nc12)C#Cc1ccc(cc1)S(O)(=O)=O

InChI Key: InChIKey=VCBOOPKKNOXUFP-UHFFFAOYSA-N

Data: 2 KI 2 EC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50437188
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
Adenosine receptor A1 (Mouse)	BDBM50437188 (CHEMBL2401954) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	495	n/a	n/a	n/a	n/a
TBA									Citation and Details
TBA					More data for this Ligand-Target Pair
Adenosine receptor A3 (Mouse)	BDBM50437188 (CHEMBL2401954) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	13	n/a	n/a	n/a	n/a
TBA									Citation and Details
TBA					More data for this Ligand-Target Pair
Adenosine receptor A3 (Mouse)	BDBM50437188 (CHEMBL2401954) Show SMILES Show InChI	GoogleScholar	UniChem		9.70	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
Adenosine receptor A1 (Mouse)	BDBM50437188 (CHEMBL2401954) Show SMILES Show InChI	GoogleScholar	UniChem		35	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