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

BDBM50350728 CHEMBL1818291

SMILES: CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CNC(=O)c2cc(nc3ccccc23)-c2cccc(CN)c2)CC1

InChI Key: InChIKey=VBCGLTJYUOQZMW-UHFFFAOYSA-N

Data: 5 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50350728
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
Cytochrome P450 2C9 (Human)	BDBM50350728 (CHEMBL1818291) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
TBA					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Human)	BDBM50350728 (CHEMBL1818291) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	2.40E+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
Cytochrome P450 1A2 (Human)	BDBM50350728 (CHEMBL1818291) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	4.00E+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
Acetyl-CoA carboxylase 2 (Human)	BDBM50350728 (CHEMBL1818291) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
TBA					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (Human)	BDBM50350728 (CHEMBL1818291) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
TBA					More data for this Ligand-Target Pair