BDBM50212387 CHEMBL537653::threo-3,4-dichlororitalinol hydrochloride

SMILES: OC[C@@H]([C@H]1CCCCN1)c1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=VBLILHAGVIRWHD-ZWNOBZJWSA-N

Data: 2 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 3 hits for monomerid = 50212387   

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))	BDBM50212387 (CHEMBL537653 | threo-3,4-dichlororitalinol hydroch...) Show SMILES OC[C@@H]([C@H]1CCCCN1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C13H17Cl2NO/c14-11-5-4-9(7-12(11)15)10(8-17)13-3-1-2-6-16-13/h4-5,7,10,13,16-17H,1-3,6,8H2/t10-,13-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.90	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 serotonin transporter (Rattus norvegicus (rat))	BDBM50212387 (CHEMBL537653 | threo-3,4-dichlororitalinol hydroch...) Show SMILES OC[C@@H]([C@H]1CCCCN1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C13H17Cl2NO/c14-11-5-4-9(7-12(11)15)10(8-17)13-3-1-2-6-16-13/h4-5,7,10,13,16-17H,1-3,6,8H2/t10-,13-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	276	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]citalopram from 5HTT in Sprague-Dawley rat cerebrum				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))	BDBM50212387 (CHEMBL537653 | threo-3,4-dichlororitalinol hydroch...) Show SMILES OC[C@@H]([C@H]1CCCCN1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C13H17Cl2NO/c14-11-5-4-9(7-12(11)15)10(8-17)13-3-1-2-6-16-13/h4-5,7,10,13,16-17H,1-3,6,8H2/t10-,13-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	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