BDBM50048571 3-(4-Iodo-phenyl)-8-(3-methanesulfonyloxy-propyl)-8-aza-bicyclo[3.2.1]octane-2-carboxylic acid methyl ester::CHEMBL153602

SMILES: COC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2CCCOS(C)(=O)=O

InChI Key: InChIKey=SHWAZDVCGJVDIW-UHFFFAOYSA-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 = 50048571   

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))	BDBM50048571 (3-(4-Iodo-phenyl)-8-(3-methanesulfonyloxy-propyl)-...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2CCCOS(C)(=O)=O |THB:2:4:18:6.7| Show InChI InChI=1S/C19H26INO5S/c1-25-19(22)18-16(13-4-6-14(20)7-5-13)12-15-8-9-17(18)21(15)10-3-11-26-27(2,23)24/h4-7,15-18H,3,8-12H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17	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 dopamine transporter (Rattus norvegicus (rat))	BDBM50048571 (3-(4-Iodo-phenyl)-8-(3-methanesulfonyloxy-propyl)-...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2CCCOS(C)(=O)=O |THB:2:4:18:6.7| Show InChI InChI=1S/C19H26INO5S/c1-25-19(22)18-16(13-4-6-14(20)7-5-13)12-15-8-9-17(18)21(15)10-3-11-26-27(2,23)24/h4-7,15-18H,3,8-12H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	36	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
Norepinephrine Monoamine transporters (Rattus norvegicus)	BDBM50048571 (3-(4-Iodo-phenyl)-8-(3-methanesulfonyloxy-propyl)-...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc(I)cc1)N2CCCOS(C)(=O)=O |THB:2:4:18:6.7| Show InChI InChI=1S/C19H26INO5S/c1-25-19(22)18-16(13-4-6-14(20)7-5-13)12-15-8-9-17(18)21(15)10-3-11-26-27(2,23)24/h4-7,15-18H,3,8-12H2,1-2H3	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.00E+3	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