BDBM50247029 2beta-Carbo(2-fluoroethoxy)-3beta-(3'-((Z)-2-bromoethenyl)phenyl)-nortropane::CHEMBL525952

SMILES: FCCOC(=O)C1C2CCC(CC1c1cccc(\C=C/Br)c1)N2

InChI Key: InChIKey=SPQWIGAZLYFACO-SREVYHEPSA-N

Data: 3 KI

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 = 50247029   

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))	BDBM50247029 (2beta-Carbo(2-fluoroethoxy)-3beta-(3'-((Z)-2-bromo...) Show SMILES FCCOC(=O)C1C2CCC(CC1c1cccc(\C=C/Br)c1)N2 |TLB:13:12:22:9.8,THB:4:6:22:9.8| Show InChI InChI=1S/C18H21BrFNO2/c19-7-6-12-2-1-3-13(10-12)15-11-14-4-5-16(21-14)17(15)18(22)23-9-8-20/h1-3,6-7,10,14-17,21H,4-5,8-9,11H2/b7-6-	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.330	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Displacement of [3H](R,S)citalopram.HBr from human SERT transfected in human HEK293 cells				J Med Chem 51: 7788-99 (2008) Article DOI: 10.1021/jm800781a BindingDB Entry DOI: 10.7270/Q21C1WRQ
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50247029 (2beta-Carbo(2-fluoroethoxy)-3beta-(3'-((Z)-2-bromo...) Show SMILES FCCOC(=O)C1C2CCC(CC1c1cccc(\C=C/Br)c1)N2 |TLB:13:12:22:9.8,THB:4:6:22:9.8| Show InChI InChI=1S/C18H21BrFNO2/c19-7-6-12-2-1-3-13(10-12)15-11-14-4-5-16(21-14)17(15)18(22)23-9-8-20/h1-3,6-7,10,14-17,21H,4-5,8-9,11H2/b7-6-	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	35.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Displacement of [3H]RTI-55 from human DAT transfected in human HEK293 cells				J Med Chem 51: 7788-99 (2008) Article DOI: 10.1021/jm800781a BindingDB Entry DOI: 10.7270/Q21C1WRQ
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50247029 (2beta-Carbo(2-fluoroethoxy)-3beta-(3'-((Z)-2-bromo...) Show SMILES FCCOC(=O)C1C2CCC(CC1c1cccc(\C=C/Br)c1)N2 |TLB:13:12:22:9.8,THB:4:6:22:9.8| Show InChI InChI=1S/C18H21BrFNO2/c19-7-6-12-2-1-3-13(10-12)15-11-14-4-5-16(21-14)17(15)18(22)23-9-8-20/h1-3,6-7,10,14-17,21H,4-5,8-9,11H2/b7-6-	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	101	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Emory University Curated by ChEMBL					Assay Description Displacement of [3H]nisoxetine from human NET transfected in human HEK293 cells				J Med Chem 51: 7788-99 (2008) Article DOI: 10.1021/jm800781a BindingDB Entry DOI: 10.7270/Q21C1WRQ
					More data for this Ligand-Target Pair