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

BDBM50271827 2-Isopropyl-isothiourea::CHEMBL483091::S-ISOPROPYL-ISOTHIOUREA

SMILES: CC(C)SC(=N)N

InChI Key: InChIKey=XSSNABKEYXKKMK-UHFFFAOYSA-N

Data: 4 KI

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50271827
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
Nitric oxide synthase, inducible (Human)	BDBM50271827 (S-ISOPROPYL-ISOTHIOUREA \| 2-Isopropyl-isothiourea ...) Show SMILES Show InChI	GoogleScholar	UniChem		9	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
Nitric oxide synthase, endothelial (Human)	BDBM50271827 (S-ISOPROPYL-ISOTHIOUREA \| 2-Isopropyl-isothiourea ...) Show SMILES Show InChI	GoogleScholar	UniChem		22	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
Nitric oxide synthase, brain (Human)	BDBM50271827 (S-ISOPROPYL-ISOTHIOUREA \| 2-Isopropyl-isothiourea ...) Show SMILES Show InChI	GoogleScholar	UniChem		37	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
Nitric oxide synthase, brain (Human)	BDBM50271827 (S-ISOPROPYL-ISOTHIOUREA \| 2-Isopropyl-isothiourea ...) Show SMILES Show InChI	GoogleScholar	UniChem		3.00E+4	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