BDBM50276644 CHEMBL455221::trans-2-Aminomethyl-5-(5''-fluoro-2''-methoxyphenyl-4'-butyl)tetrahydrofuran

SMILES: COc1ccc(F)cc1CCCC[C@H]1CC[C@H](CN)O1

InChI Key: InChIKey=XPMTXFPUXPYNCB-LSDHHAIUSA-N

Data: 3 KI  3 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 6 hits for monomerid = 50276644   

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 serotonin transporter (Homo sapiens (Human))	BDBM50276644 (CHEMBL455221 | trans-2-Aminomethyl-5-(5''-fluoro-2...) Show SMILES COc1ccc(F)cc1CCCC[C@H]1CC[C@H](CN)O1 |r| Show InChI InChI=1S/C16H24FNO2/c1-19-16-9-6-13(17)10-12(16)4-2-3-5-14-7-8-15(11-18)20-14/h6,9-10,14-15H,2-5,7-8,11,18H2,1H3/t14-,15+/m0/s1	PDB KEGG DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Human BioMolecular Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]RTI55 from human SERT expressed in HEK cells				Bioorg Med Chem 17: 2047-68 (2009) Article DOI: 10.1016/j.bmc.2009.01.023 BindingDB Entry DOI: 10.7270/Q2057GV0
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50276644 (CHEMBL455221 | trans-2-Aminomethyl-5-(5''-fluoro-2...) Show SMILES COc1ccc(F)cc1CCCC[C@H]1CC[C@H](CN)O1 |r| Show InChI InChI=1S/C16H24FNO2/c1-19-16-9-6-13(17)10-12(16)4-2-3-5-14-7-8-15(11-18)20-14/h6,9-10,14-15H,2-5,7-8,11,18H2,1H3/t14-,15+/m0/s1	Reactome pathway KEGG DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.22E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Human BioMolecular Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]RTI55 from human NET expressed in HEK cells				Bioorg Med Chem 17: 2047-68 (2009) Article DOI: 10.1016/j.bmc.2009.01.023 BindingDB Entry DOI: 10.7270/Q2057GV0
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50276644 (CHEMBL455221 | trans-2-Aminomethyl-5-(5''-fluoro-2...) Show SMILES COc1ccc(F)cc1CCCC[C@H]1CC[C@H](CN)O1 |r| Show InChI InChI=1S/C16H24FNO2/c1-19-16-9-6-13(17)10-12(16)4-2-3-5-14-7-8-15(11-18)20-14/h6,9-10,14-15H,2-5,7-8,11,18H2,1H3/t14-,15+/m0/s1	NCI pathway Reactome pathway KEGG DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.87E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Human BioMolecular Research Institute Curated by ChEMBL					Assay Description Displacement of [125I]RTI55 from human DAT expressed in HEK cells				Bioorg Med Chem 17: 2047-68 (2009) Article DOI: 10.1016/j.bmc.2009.01.023 BindingDB Entry DOI: 10.7270/Q2057GV0
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50276644 (CHEMBL455221 | trans-2-Aminomethyl-5-(5''-fluoro-2...) Show SMILES COc1ccc(F)cc1CCCC[C@H]1CC[C@H](CN)O1 |r| Show InChI InChI=1S/C16H24FNO2/c1-19-16-9-6-13(17)10-12(16)4-2-3-5-14-7-8-15(11-18)20-14/h6,9-10,14-15H,2-5,7-8,11,18H2,1H3/t14-,15+/m0/s1	NCI pathway Reactome pathway KEGG DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.65E+4	n/a	n/a	n/a	n/a	n/a	n/a
Human BioMolecular Research Institute Curated by ChEMBL					Assay Description Inhibition of [3H]dopamine reuptake at human DAT expressed in HEK cells				Bioorg Med Chem 17: 2047-68 (2009) Article DOI: 10.1016/j.bmc.2009.01.023 BindingDB Entry DOI: 10.7270/Q2057GV0
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50276644 (CHEMBL455221 | trans-2-Aminomethyl-5-(5''-fluoro-2...) Show SMILES COc1ccc(F)cc1CCCC[C@H]1CC[C@H](CN)O1 |r| Show InChI InChI=1S/C16H24FNO2/c1-19-16-9-6-13(17)10-12(16)4-2-3-5-14-7-8-15(11-18)20-14/h6,9-10,14-15H,2-5,7-8,11,18H2,1H3/t14-,15+/m0/s1	PDB KEGG DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	84	n/a	n/a	n/a	n/a	n/a	n/a
Human BioMolecular Research Institute Curated by ChEMBL					Assay Description Inhibition of [3H]serotonin reuptake at human SERT expressed in HEK cells				Bioorg Med Chem 17: 2047-68 (2009) Article DOI: 10.1016/j.bmc.2009.01.023 BindingDB Entry DOI: 10.7270/Q2057GV0
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50276644 (CHEMBL455221 | trans-2-Aminomethyl-5-(5''-fluoro-2...) Show SMILES COc1ccc(F)cc1CCCC[C@H]1CC[C@H](CN)O1 |r| Show InChI InChI=1S/C16H24FNO2/c1-19-16-9-6-13(17)10-12(16)4-2-3-5-14-7-8-15(11-18)20-14/h6,9-10,14-15H,2-5,7-8,11,18H2,1H3/t14-,15+/m0/s1	Reactome pathway KEGG DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.12E+3	n/a	n/a	n/a	n/a	n/a	n/a
Human BioMolecular Research Institute Curated by ChEMBL					Assay Description Inhibition of [3H]norepinephrine reuptake at human NET expressed in HEK cells				Bioorg Med Chem 17: 2047-68 (2009) Article DOI: 10.1016/j.bmc.2009.01.023 BindingDB Entry DOI: 10.7270/Q2057GV0
					More data for this Ligand-Target Pair