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

BDBM50007145 1-Aminomethyl-isochroman-5,6-diol spirocyclohexane::CHEMBL420604

SMILES: NC[C@@H]1OC2(CCCCC2)Cc2c(O)c(O)ccc12

InChI Key: InChIKey=MWZPAYJAPPEPRS-UHFFFAOYSA-N

Data: 2 KI 2 EC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50007145
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 (Human)	BDBM50007145 (CHEMBL420604 \| 1-Aminomethyl-isochroman-5,6-diol s...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	69	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)	BDBM50007145 (CHEMBL420604 \| 1-Aminomethyl-isochroman-5,6-diol s...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	n/a	n/a	6.68E+3	n/a	n/a	n/a	n/a
TBA									Citation and Details
TBA					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Rat)	BDBM50007145 (CHEMBL420604 \| 1-Aminomethyl-isochroman-5,6-diol s...) Show SMILES Show InChI	GoogleScholar	UniChem		479	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)	BDBM50007145 (CHEMBL420604 \| 1-Aminomethyl-isochroman-5,6-diol s...) Show SMILES Show InChI	GoogleScholar	UniChem		4.68E+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