BDBM50212386 CHEMBL537209::threo-ritalinol hydrochloride

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

InChI Key: InChIKey=IKNCLLOBJQVKNP-CHWSQXEVSA-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 = 50212386   

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))	BDBM50212386 (CHEMBL537209 | threo-ritalinol hydrochloride) Show SMILES OC[C@@H]([C@H]1CCCCN1)c1ccccc1 Show InChI InChI=1S/C13H19NO/c15-10-12(11-6-2-1-3-7-11)13-8-4-5-9-14-13/h1-3,6-7,12-15H,4-5,8-10H2/t12-,13-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	406	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))	BDBM50212386 (CHEMBL537209 | threo-ritalinol hydrochloride) Show SMILES OC[C@@H]([C@H]1CCCCN1)c1ccccc1 Show InChI InChI=1S/C13H19NO/c15-10-12(11-6-2-1-3-7-11)13-8-4-5-9-14-13/h1-3,6-7,12-15H,4-5,8-10H2/t12-,13-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.52E+3	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