BDBM50048558 8-(3-Fluoro-propyl)-3-(4-iodo-phenyl)-8-aza-bicyclo[3.2.1]octane-2-carboxylic acid methyl ester::CHEMBL318755

SMILES: COC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2CCCF

InChI Key: InChIKey=HXWLAJVUJSVENX-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50048558   

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))	BDBM50048558 (8-(3-Fluoro-propyl)-3-(4-iodo-phenyl)-8-aza-bicycl...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2CCCF |TLB:11:10:18:6.7,THB:2:4:18:6.7| Show InChI InChI=1S/C18H23FINO2/c1-23-18(22)17-15(12-3-5-13(20)6-4-12)11-14-7-8-16(17)21(14)10-2-9-19/h3-6,14-17H,2,7-11H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Biochemicals International Curated by ChEMBL					Assay Description In vitro binding affinity towards serotonin transporter in rat cerebral cortical homogenates by [3H]paroxetine displacement.				J Med Chem 39: 543-8 (1996) Article DOI: 10.1021/jm9505324 BindingDB Entry DOI: 10.7270/Q2KD1ZJ5
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50048558 (8-(3-Fluoro-propyl)-3-(4-iodo-phenyl)-8-aza-bicycl...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2CCCF |TLB:11:10:18:6.7,THB:2:4:18:6.7| Show InChI InChI=1S/C18H23FINO2/c1-23-18(22)17-15(12-3-5-13(20)6-4-12)11-14-7-8-16(17)21(14)10-2-9-19/h3-6,14-17H,2,7-11H2,1H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Alcohol and Drug Abuse Research Center Curated by ChEMBL					Assay Description Ability to displace [3H]- paroxetine from Serotonin transporter in rat cerebral cortical homogenate				Bioorg Med Chem Lett 11: 3049-53 (2001) BindingDB Entry DOI: 10.7270/Q23N22PN
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50048558 (8-(3-Fluoro-propyl)-3-(4-iodo-phenyl)-8-aza-bicycl...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2CCCF |TLB:11:10:18:6.7,THB:2:4:18:6.7| Show InChI InChI=1S/C18H23FINO2/c1-23-18(22)17-15(12-3-5-13(20)6-4-12)11-14-7-8-16(17)21(14)10-2-9-19/h3-6,14-17H,2,7-11H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Biochemicals International Curated by ChEMBL					Assay Description In vitro binding affinity towards dopamine transporter in rat striatal membranes by [3H]GBR-12395 displacement.				J Med Chem 39: 543-8 (1996) Article DOI: 10.1021/jm9505324 BindingDB Entry DOI: 10.7270/Q2KD1ZJ5
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50048558 (8-(3-Fluoro-propyl)-3-(4-iodo-phenyl)-8-aza-bicycl...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2CCCF |TLB:11:10:18:6.7,THB:2:4:18:6.7| Show InChI InChI=1S/C18H23FINO2/c1-23-18(22)17-15(12-3-5-13(20)6-4-12)11-14-7-8-16(17)21(14)10-2-9-19/h3-6,14-17H,2,7-11H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	8.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Alcohol and Drug Abuse Research Center Curated by ChEMBL					Assay Description Ability to displace [3H]- beta-CIT from Dopamine transporter in rat striatal homogenate				Bioorg Med Chem Lett 11: 3049-53 (2001) BindingDB Entry DOI: 10.7270/Q23N22PN
					More data for this Ligand-Target Pair
Norepinephrine Monoamine transporters (Rattus norvegicus)	BDBM50048558 (8-(3-Fluoro-propyl)-3-(4-iodo-phenyl)-8-aza-bicycl...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2CCCF |TLB:11:10:18:6.7,THB:2:4:18:6.7| Show InChI InChI=1S/C18H23FINO2/c1-23-18(22)17-15(12-3-5-13(20)6-4-12)11-14-7-8-16(17)21(14)10-2-9-19/h3-6,14-17H,2,7-11H2,1H3	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	63	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Alcohol and Drug Abuse Research Center Curated by ChEMBL					Assay Description Ability to displace [3H]- nisoxetin from Norepinephrine transporter in rat cerebral cortical homogenate				Bioorg Med Chem Lett 11: 3049-53 (2001) BindingDB Entry DOI: 10.7270/Q23N22PN
					More data for this Ligand-Target Pair
Norepinephrine Monoamine transporters (Rattus norvegicus)	BDBM50048558 (8-(3-Fluoro-propyl)-3-(4-iodo-phenyl)-8-aza-bicycl...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2CCCF |TLB:11:10:18:6.7,THB:2:4:18:6.7| Show InChI InChI=1S/C18H23FINO2/c1-23-18(22)17-15(12-3-5-13(20)6-4-12)11-14-7-8-16(17)21(14)10-2-9-19/h3-6,14-17H,2,7-11H2,1H3	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	63	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Biochemicals International Curated by ChEMBL					Assay Description In vitro binding affinity towards Norepinephrine transporter rat cerebral cortical homogenates by [3H]nisoxetine displacement.				J Med Chem 39: 543-8 (1996) Article DOI: 10.1021/jm9505324 BindingDB Entry DOI: 10.7270/Q2KD1ZJ5
					More data for this Ligand-Target Pair