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

BDBM50540172 CHEMBL4637426

SMILES: C[C@@H]1C[C@H]1COC(C)(C)[C@@H]2C[C@H]2[C@]34CN(C[C@H]3CSC(=N4)N)c5ncccn5

InChI Key: InChIKey=BFGQEVKVRRYAQC-UHFFFAOYSA-N

Data: 5 IC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50540172
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
Beta-secretase 1 (Human)	BDBM50540172 (CHEMBL4637426) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
TBA					More data for this Ligand-Target Pair
Beta-secretase 2 (Human)	BDBM50540172 (CHEMBL4637426) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
TBA					More data for this Ligand-Target Pair
Cathepsin D (Human)	BDBM50540172 (CHEMBL4637426) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.60E+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
Beta-secretase 1 (Human)	BDBM50540172 (CHEMBL4637426) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
TBA					More data for this Ligand-Target Pair
Cathepsin D (Human)	BDBM50540172 (CHEMBL4637426) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>3.00E+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