BDBM50276591 CHEMBL511500::trans-2-(Aminomethyl)-5-(2'-methoxy-5'-fluorophenethyl)tetrahydrofuran

SMILES: COc1ccc(F)cc1CC[C@H]1CC[C@H](CN)O1

InChI Key: InChIKey=CLSUYIGLXGEXLU-QWHCGFSZSA-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 = 50276591   

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))	BDBM50276591 (CHEMBL511500 | trans-2-(Aminomethyl)-5-(2'-methoxy...) Show SMILES COc1ccc(F)cc1CC[C@H]1CC[C@H](CN)O1 |r| Show InChI InChI=1S/C14H20FNO2/c1-17-14-7-3-11(15)8-10(14)2-4-12-5-6-13(9-16)18-12/h3,7-8,12-13H,2,4-6,9,16H2,1H3/t12-,13+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.20	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))	BDBM50276591 (CHEMBL511500 | trans-2-(Aminomethyl)-5-(2'-methoxy...) Show SMILES COc1ccc(F)cc1CC[C@H]1CC[C@H](CN)O1 |r| Show InChI InChI=1S/C14H20FNO2/c1-17-14-7-3-11(15)8-10(14)2-4-12-5-6-13(9-16)18-12/h3,7-8,12-13H,2,4-6,9,16H2,1H3/t12-,13+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.99E+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))	BDBM50276591 (CHEMBL511500 | trans-2-(Aminomethyl)-5-(2'-methoxy...) Show SMILES COc1ccc(F)cc1CC[C@H]1CC[C@H](CN)O1 |r| Show InChI InChI=1S/C14H20FNO2/c1-17-14-7-3-11(15)8-10(14)2-4-12-5-6-13(9-16)18-12/h3,7-8,12-13H,2,4-6,9,16H2,1H3/t12-,13+/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.45E+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 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))	BDBM50276591 (CHEMBL511500 | trans-2-(Aminomethyl)-5-(2'-methoxy...) Show SMILES COc1ccc(F)cc1CC[C@H]1CC[C@H](CN)O1 |r| Show InChI InChI=1S/C14H20FNO2/c1-17-14-7-3-11(15)8-10(14)2-4-12-5-6-13(9-16)18-12/h3,7-8,12-13H,2,4-6,9,16H2,1H3/t12-,13+/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.56E+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]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))	BDBM50276591 (CHEMBL511500 | trans-2-(Aminomethyl)-5-(2'-methoxy...) Show SMILES COc1ccc(F)cc1CC[C@H]1CC[C@H](CN)O1 |r| Show InChI InChI=1S/C14H20FNO2/c1-17-14-7-3-11(15)8-10(14)2-4-12-5-6-13(9-16)18-12/h3,7-8,12-13H,2,4-6,9,16H2,1H3/t12-,13+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.5	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))	BDBM50276591 (CHEMBL511500 | trans-2-(Aminomethyl)-5-(2'-methoxy...) Show SMILES COc1ccc(F)cc1CC[C@H]1CC[C@H](CN)O1 |r| Show InChI InChI=1S/C14H20FNO2/c1-17-14-7-3-11(15)8-10(14)2-4-12-5-6-13(9-16)18-12/h3,7-8,12-13H,2,4-6,9,16H2,1H3/t12-,13+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	628	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