BDBM50276420 2-Aminomethyl-5-(phenyl)tetrahydrofuran::CHEMBL458639

SMILES: NCC1CCC(O1)c1ccccc1

InChI Key: InChIKey=IAIACGGIZWXQIK-UHFFFAOYSA-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 = 50276420   

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))	BDBM50276420 (2-Aminomethyl-5-(phenyl)tetrahydrofuran | CHEMBL45...) Show SMILES NCC1CCC(O1)c1ccccc1 Show InChI InChI=1S/C11H15NO/c12-8-10-6-7-11(13-10)9-4-2-1-3-5-9/h1-5,10-11H,6-8,12H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	43	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 dopamine transporter (Homo sapiens (Human))	BDBM50276420 (2-Aminomethyl-5-(phenyl)tetrahydrofuran | CHEMBL45...) Show SMILES NCC1CCC(O1)c1ccccc1 Show InChI InChI=1S/C11H15NO/c12-8-10-6-7-11(13-10)9-4-2-1-3-5-9/h1-5,10-11H,6-8,12H2	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	916	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 noradrenaline transporter (Homo sapiens (Human))	BDBM50276420 (2-Aminomethyl-5-(phenyl)tetrahydrofuran | CHEMBL45...) Show SMILES NCC1CCC(O1)c1ccccc1 Show InChI InChI=1S/C11H15NO/c12-8-10-6-7-11(13-10)9-4-2-1-3-5-9/h1-5,10-11H,6-8,12H2	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.77E+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 noradrenaline transporter (Homo sapiens (Human))	BDBM50276420 (2-Aminomethyl-5-(phenyl)tetrahydrofuran | CHEMBL45...) Show SMILES NCC1CCC(O1)c1ccccc1 Show InChI InChI=1S/C11H15NO/c12-8-10-6-7-11(13-10)9-4-2-1-3-5-9/h1-5,10-11H,6-8,12H2	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	23	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
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50276420 (2-Aminomethyl-5-(phenyl)tetrahydrofuran | CHEMBL45...) Show SMILES NCC1CCC(O1)c1ccccc1 Show InChI InChI=1S/C11H15NO/c12-8-10-6-7-11(13-10)9-4-2-1-3-5-9/h1-5,10-11H,6-8,12H2	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	147	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))	BDBM50276420 (2-Aminomethyl-5-(phenyl)tetrahydrofuran | CHEMBL45...) Show SMILES NCC1CCC(O1)c1ccccc1 Show InChI InChI=1S/C11H15NO/c12-8-10-6-7-11(13-10)9-4-2-1-3-5-9/h1-5,10-11H,6-8,12H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.71E+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]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