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

BDBM50008832 1-Aminomethyl-3-cyclohexyl-isochroman-5,6-diol::CHEMBL100572

SMILES: NC[C@@H]1O[C@@H](Cc2c(O)c(O)ccc12)C1CCCCC1

InChI Key: InChIKey=BOKASTZDGGZFET-UHFFFAOYSA-N

Data: 2 KI

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50008832
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
D(1A) dopamine receptor (Rat)	BDBM50008832 (CHEMBL100572 \| 1-Aminomethyl-3-cyclohexyl-isochrom...) Show SMILES Show InChI	GoogleScholar	UniChem		5.40	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
D(2) dopamine receptor (Rat)	BDBM50008832 (CHEMBL100572 \| 1-Aminomethyl-3-cyclohexyl-isochrom...) Show SMILES Show InChI	GoogleScholar	UniChem		1.12E+3	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