BDBM50212378 CHEMBL537431::threo-ritalinol methyl ether hydrochloride

SMILES: COC[C@@H]([C@H]1CCCCN1)c1ccccc1

InChI Key: InChIKey=DNWCZLGJLQABLG-ZIAGYGMSSA-N

Data: 1 KI  1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50212378   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50212378 (CHEMBL537431 | threo-ritalinol methyl ether hydroc...) Show SMILES COC[C@@H]([C@H]1CCCCN1)c1ccccc1 Show InChI InChI=1S/C14H21NO/c1-16-11-13(12-7-3-2-4-8-12)14-9-5-6-10-15-14/h2-4,7-8,13-15H,5-6,9-11H2,1H3/t13-,14-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
School of Chemistry and Biochemistry Curated by ChEMBL					Assay Description Displacement of [3H]WIN-35428 from DAT in Sprague-Dawley rat striatum				J Med Chem 50: 2718-31 (2007) Article DOI: 10.1021/jm061354p BindingDB Entry DOI: 10.7270/Q2Q81DXB
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50212378 (CHEMBL537431 | threo-ritalinol methyl ether hydroc...) Show SMILES COC[C@@H]([C@H]1CCCCN1)c1ccccc1 Show InChI InChI=1S/C14H21NO/c1-16-11-13(12-7-3-2-4-8-12)14-9-5-6-10-15-14/h2-4,7-8,13-15H,5-6,9-11H2,1H3/t13-,14-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	281	n/a	n/a	n/a	n/a	n/a	n/a
School of Chemistry and Biochemistry Curated by ChEMBL					Assay Description Inhibition of [3H]DA uptake at DAT in Sprague-Dawley rat striatum				J Med Chem 50: 2718-31 (2007) Article DOI: 10.1021/jm061354p BindingDB Entry DOI: 10.7270/Q2Q81DXB
					More data for this Ligand-Target Pair