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

BDBM50124629 CHEMBL3622879

SMILES: Cc1c(nc(nc1Cl)C2CC2)NCc3c(nc(s3)C)C

InChI Key: InChIKey=BKAQDKUFAULKQY-UHFFFAOYSA-N

Data: 1 KI 2 IC50 1 EC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50124629
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
Nuclear receptor subfamily 1 group I member 2 (Human)	BDBM50124629 (CHEMBL3622879) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	1.90E+4	n/a	n/a	n/a	n/a
TBA									Citation and Details
TBA					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Human)	BDBM50124629 (CHEMBL3622879) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	1.70E+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
Cytochrome P450 2D6 (Human)	BDBM50124629 (CHEMBL3622879) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	8.20E+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
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Human)	BDBM50124629 (CHEMBL3622879) Show SMILES Show InChI	GoogleScholar	UniChem		4.80	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