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

BDBM50155723 1-(6,7-Dimethoxy-1-phenethyl-3,4-dihydro-1H-isoquinolin-2-yl)-ethanone::CHEMBL187593

SMILES: COc1cc2CCN(C(CCc3ccccc3)c2cc1OC)C(C)=O

InChI Key: InChIKey=KZMBWEHNBRZOCJ-UHFFFAOYSA-N

Data: 4 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50155723
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
Melatonin receptor type 1A (Human)	BDBM50155723 (1-(6,7-Dimethoxy-1-phenethyl-3,4-dihydro-1H-isoqui...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.00E+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
Melatonin receptor type 1B (Human)	BDBM50155723 (1-(6,7-Dimethoxy-1-phenethyl-3,4-dihydro-1H-isoqui...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	76	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
TBA					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Human)	BDBM50155723 (1-(6,7-Dimethoxy-1-phenethyl-3,4-dihydro-1H-isoqui...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	>1.00E+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
Melatonin receptor type 1B (Human)	BDBM50155723 (1-(6,7-Dimethoxy-1-phenethyl-3,4-dihydro-1H-isoqui...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	76	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
TBA					More data for this Ligand-Target Pair