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

BDBM50531785 CHEMBL4543226::US11530198, Example 69

SMILES: Cc1ncc(cn1)-c1cccc(c1)N1CCN(CC1)c1cnc(N)nc1N

InChI Key: InChIKey=NLZHOJOCWCLWFT-UHFFFAOYSA-N

Data: 6 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50531785
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
Dihydrofolate reductase (Human)	BDBM50531785 (CHEMBL4543226 \| US11530198, Example 69) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.02E+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
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM50531785 (CHEMBL4543226 \| US11530198, Example 69) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	4.47	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
TBA					More data for this Ligand-Target Pair
Dihydrofolate reductase (Human)	BDBM50531785 (CHEMBL4543226 \| US11530198, Example 69) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	794	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
TBA					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Trypanosoma brucei brucei)	BDBM50531785 (CHEMBL4543226 \| US11530198, Example 69) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
TBA					More data for this Ligand-Target Pair
Dihydrofolate reductase (Human)	BDBM50531785 (CHEMBL4543226 \| US11530198, Example 69) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	935	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
TBA					More data for this Ligand-Target Pair
Bifunctional dihydrofolate reductase-thymidylate synthase (Toxoplasma gondii)	BDBM50531785 (CHEMBL4543226 \| US11530198, Example 69) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	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