BDBM50244047 (1S,5R)-1-(2,3-dihydrobenzofuran-5-yl)-3-aza-bicyclo[3.1.0]hexane::CHEMBL449052

SMILES: C1[C@H]2CNC[C@@]12c1ccc2OCCc2c1

InChI Key: InChIKey=YFLOOUXSBOBGEV-WCQYABFASA-N

Data: 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 3 hits for monomerid = 50244047   

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 (Rattus norvegicus (rat))	BDBM50244047 ((1S,5R)-1-(2,3-dihydrobenzofuran-5-yl)-3-aza-bicyc...) Show SMILES C1[C@H]2CNC[C@@]12c1ccc2OCCc2c1 |r| Show InChI InChI=1S/C13H15NO/c1-2-12-9(3-4-15-12)5-10(1)13-6-11(13)7-14-8-13/h1-2,5,11,14H,3-4,6-8H2/t11-,13+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	610	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Inhibition of serotonin uptake at SERT in rat brain synaptosome				Bioorg Med Chem Lett 18: 3682-6 (2008) Article DOI: 10.1016/j.bmcl.2008.05.077 BindingDB Entry DOI: 10.7270/Q26974G5
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50244047 ((1S,5R)-1-(2,3-dihydrobenzofuran-5-yl)-3-aza-bicyc...) Show SMILES C1[C@H]2CNC[C@@]12c1ccc2OCCc2c1 |r| Show InChI InChI=1S/C13H15NO/c1-2-12-9(3-4-15-12)5-10(1)13-6-11(13)7-14-8-13/h1-2,5,11,14H,3-4,6-8H2/t11-,13+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Inhibition of dopamine uptake at cloned DAT in rat brain synaptosome				Bioorg Med Chem Lett 18: 3682-6 (2008) Article DOI: 10.1016/j.bmcl.2008.05.077 BindingDB Entry DOI: 10.7270/Q26974G5
					More data for this Ligand-Target Pair
Transporter (Rattus norvegicus (rat))	BDBM50244047 ((1S,5R)-1-(2,3-dihydrobenzofuran-5-yl)-3-aza-bicyc...) Show SMILES C1[C@H]2CNC[C@@]12c1ccc2OCCc2c1 |r| Show InChI InChI=1S/C13H15NO/c1-2-12-9(3-4-15-12)5-10(1)13-6-11(13)7-14-8-13/h1-2,5,11,14H,3-4,6-8H2/t11-,13+/m0/s1	Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Neurocrine Biosciences, Inc. Curated by ChEMBL					Assay Description Inhibition of norepinephrine uptake at NET in rat brain synaptosome				Bioorg Med Chem Lett 18: 3682-6 (2008) Article DOI: 10.1016/j.bmcl.2008.05.077 BindingDB Entry DOI: 10.7270/Q26974G5
					More data for this Ligand-Target Pair