BindingDB PrimarySearch

BDBM50156917 (2R,3S)-methyl 3-(4-iodophenyl)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylate::(2S,3R)-methyl 3-(4-iodophenyl)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylate::CHEMBL375889

SMILES: COC(=O)[C@@H]1C2CCC(C[C@H]1c1ccc(I)cc1)N2C

InChI Key: InChIKey=SIIICDNNMDMWCI-SHWKFHJASA-N

Data: 2 KI 3 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50156917
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50156917 ((2R,3S)-methyl 3-(4-iodophenyl)-8-methyl-8-aza-bic...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	5.90	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 5HTT				J Med Chem 47: 6401-9 (2004) Article DOI: 10.1021/jm0401311 BindingDB Entry DOI: 10.7270/Q2W37X4B
Research Triangle Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50156917 ((2R,3S)-methyl 3-(4-iodophenyl)-8-methyl-8-aza-bic...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	32	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 NET				J Med Chem 47: 6401-9 (2004) Article DOI: 10.1021/jm0401311 BindingDB Entry DOI: 10.7270/Q2W37X4B
Research Triangle Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50156917 ((2R,3S)-methyl 3-(4-iodophenyl)-8-methyl-8-aza-bic...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	64.9	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 5HTT				J Med Chem 47: 6401-9 (2004) Article DOI: 10.1021/jm0401311 BindingDB Entry DOI: 10.7270/Q2W37X4B
Research Triangle Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50156917 ((2R,3S)-methyl 3-(4-iodophenyl)-8-methyl-8-aza-bic...) Show SMILES Show InChI	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Displacement of [3H]WIN-35428 from DAT				J Med Chem 47: 6401-9 (2004) Article DOI: 10.1021/jm0401311 BindingDB Entry DOI: 10.7270/Q2W37X4B
Research Triangle Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50156917 ((2R,3S)-methyl 3-(4-iodophenyl)-8-methyl-8-aza-bic...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	52.4	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 NET				J Med Chem 47: 6401-9 (2004) Article DOI: 10.1021/jm0401311 BindingDB Entry DOI: 10.7270/Q2W37X4B
Research Triangle Institute Curated by ChEMBL					More data for this Ligand-Target Pair