BDBM50168047 3-(3,4-Difluoro-phenyl)-8-aza-bicyclo[3.2.1]octane-2-carboxylic acid methyl ester::CHEMBL366159

SMILES: COC(=O)C1C2CCC(CC1c1ccc(F)c(F)c1)N2

InChI Key: InChIKey=KULAZXNGMPXIEL-UHFFFAOYSA-N

Data: 2 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 5 hits for monomerid = 50168047   

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
Norepinephrine Monoamine transporters (Rattus norvegicus)	BDBM50168047 (3-(3,4-Difluoro-phenyl)-8-aza-bicyclo[3.2.1]octane...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc(F)c(F)c1)N2 |THB:2:4:19:6.7| Show InChI InChI=1S/C15H17F2NO2/c1-20-15(19)14-10(7-9-3-5-13(14)18-9)8-2-4-11(16)12(17)6-8/h2,4,6,9-10,13-14,18H,3,5,7H2,1H3	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Displacement of [3H]nisoxetine from norepinephrine transporter (NET) of rat cerebral cortex				J Med Chem 48: 3852-7 (2005) Article DOI: 10.1021/jm058164j BindingDB Entry DOI: 10.7270/Q2M909FV
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50168047 (3-(3,4-Difluoro-phenyl)-8-aza-bicyclo[3.2.1]octane...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc(F)c(F)c1)N2 |THB:2:4:19:6.7| Show InChI InChI=1S/C15H17F2NO2/c1-20-15(19)14-10(7-9-3-5-13(14)18-9)8-2-4-11(16)12(17)6-8/h2,4,6,9-10,13-14,18H,3,5,7H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	55.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Displacement of [3H]paroxetine from serotonin transporter (5-HT) of rat cerebral cortex				J Med Chem 48: 3852-7 (2005) Article DOI: 10.1021/jm058164j BindingDB Entry DOI: 10.7270/Q2M909FV
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50168047 (3-(3,4-Difluoro-phenyl)-8-aza-bicyclo[3.2.1]octane...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc(F)c(F)c1)N2 |THB:2:4:19:6.7| Show InChI InChI=1S/C15H17F2NO2/c1-20-15(19)14-10(7-9-3-5-13(14)18-9)8-2-4-11(16)12(17)6-8/h2,4,6,9-10,13-14,18H,3,5,7H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	226	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of [3H]paroxetine binding to rat cortex serotonin transporter				J Med Chem 48: 3852-7 (2005) Article DOI: 10.1021/jm058164j BindingDB Entry DOI: 10.7270/Q2M909FV
					More data for this Ligand-Target Pair
Norepinephrine Monoamine transporters (Rattus norvegicus)	BDBM50168047 (3-(3,4-Difluoro-phenyl)-8-aza-bicyclo[3.2.1]octane...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc(F)c(F)c1)N2 |THB:2:4:19:6.7| Show InChI InChI=1S/C15H17F2NO2/c1-20-15(19)14-10(7-9-3-5-13(14)18-9)8-2-4-11(16)12(17)6-8/h2,4,6,9-10,13-14,18H,3,5,7H2,1H3	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of [3H]nisoxetine binding to rat cerebral cortex norepinephrine transporter				J Med Chem 48: 3852-7 (2005) Article DOI: 10.1021/jm058164j BindingDB Entry DOI: 10.7270/Q2M909FV
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50168047 (3-(3,4-Difluoro-phenyl)-8-aza-bicyclo[3.2.1]octane...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc(F)c(F)c1)N2 |THB:2:4:19:6.7| Show InChI InChI=1S/C15H17F2NO2/c1-20-15(19)14-10(7-9-3-5-13(14)18-9)8-2-4-11(16)12(17)6-8/h2,4,6,9-10,13-14,18H,3,5,7H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.61	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of [3H]WIN-35428 binding to rat striatal dopamine transporter				J Med Chem 48: 3852-7 (2005) Article DOI: 10.1021/jm058164j BindingDB Entry DOI: 10.7270/Q2M909FV
					More data for this Ligand-Target Pair