BDBM50127395 3-(4-Ethyl-3-iodo-phenyl)-8-aza-bicyclo[3.2.1]octane-2-carboxylic acid methyl ester::CHEMBL297507

SMILES: CCc1ccc(cc1I)[C@H]1C[C@H]2CCC(N2)C1C(=O)OC

InChI Key: InChIKey=BSMPOYNWUIFFDN-KCNJBTMXSA-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 = 50127395   

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))	BDBM50127395 (3-(4-Ethyl-3-iodo-phenyl)-8-aza-bicyclo[3.2.1]octa...) Show SMILES CCc1ccc(cc1I)[C@H]1C[C@H]2CCC(N2)C1C(=O)OC |THB:5:9:15:13.12,17:16:15:13.12| Show InChI InChI=1S/C17H22INO2/c1-3-10-4-5-11(8-14(10)18)13-9-12-6-7-15(19-12)16(13)17(20)21-2/h4-5,8,12-13,15-16,19H,3,6-7,9H2,1-2H3/t12-,13-,15?,16?/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.0630	n/a	n/a	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 at serotonin transporter was determined				J Med Chem 46: 1775-94 (2003) Article DOI: 10.1021/jm030092d BindingDB Entry DOI: 10.7270/Q2FF3T3J
					More data for this Ligand-Target Pair
Norepinephrine Monoamine transporters (Rattus norvegicus)	BDBM50127395 (3-(4-Ethyl-3-iodo-phenyl)-8-aza-bicyclo[3.2.1]octa...) Show SMILES CCc1ccc(cc1I)[C@H]1C[C@H]2CCC(N2)C1C(=O)OC |THB:5:9:15:13.12,17:16:15:13.12| Show InChI InChI=1S/C17H22INO2/c1-3-10-4-5-11(8-14(10)18)13-9-12-6-7-15(19-12)16(13)17(20)21-2/h4-5,8,12-13,15-16,19H,3,6-7,9H2,1-2H3/t12-,13-,15?,16?/m1/s1	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	89	n/a	n/a	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 at norepinephrine transporter was determined				J Med Chem 46: 1775-94 (2003) Article DOI: 10.1021/jm030092d BindingDB Entry DOI: 10.7270/Q2FF3T3J
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50127395 (3-(4-Ethyl-3-iodo-phenyl)-8-aza-bicyclo[3.2.1]octa...) Show SMILES CCc1ccc(cc1I)[C@H]1C[C@H]2CCC(N2)C1C(=O)OC |THB:5:9:15:13.12,17:16:15:13.12| Show InChI InChI=1S/C17H22INO2/c1-3-10-4-5-11(8-14(10)18)13-9-12-6-7-15(19-12)16(13)17(20)21-2/h4-5,8,12-13,15-16,19H,3,6-7,9H2,1-2H3/t12-,13-,15?,16?/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	329	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 at dopamine transporter was determined				J Med Chem 46: 1775-94 (2003) Article DOI: 10.1021/jm030092d BindingDB Entry DOI: 10.7270/Q2FF3T3J
					More data for this Ligand-Target Pair
Norepinephrine Monoamine transporters (Rattus norvegicus)	BDBM50127395 (3-(4-Ethyl-3-iodo-phenyl)-8-aza-bicyclo[3.2.1]octa...) Show SMILES CCc1ccc(cc1I)[C@H]1C[C@H]2CCC(N2)C1C(=O)OC |THB:5:9:15:13.12,17:16:15:13.12| Show InChI InChI=1S/C17H22INO2/c1-3-10-4-5-11(8-14(10)18)13-9-12-6-7-15(19-12)16(13)17(20)21-2/h4-5,8,12-13,15-16,19H,3,6-7,9H2,1-2H3/t12-,13-,15?,16?/m1/s1	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	148	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 at norepinephrine transporter				J Med Chem 46: 1775-94 (2003) Article DOI: 10.1021/jm030092d BindingDB Entry DOI: 10.7270/Q2FF3T3J
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50127395 (3-(4-Ethyl-3-iodo-phenyl)-8-aza-bicyclo[3.2.1]octa...) Show SMILES CCc1ccc(cc1I)[C@H]1C[C@H]2CCC(N2)C1C(=O)OC |THB:5:9:15:13.12,17:16:15:13.12| Show InChI InChI=1S/C17H22INO2/c1-3-10-4-5-11(8-14(10)18)13-9-12-6-7-15(19-12)16(13)17(20)21-2/h4-5,8,12-13,15-16,19H,3,6-7,9H2,1-2H3/t12-,13-,15?,16?/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.690	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 at serotonin transporter was determined				J Med Chem 46: 1775-94 (2003) Article DOI: 10.1021/jm030092d BindingDB Entry DOI: 10.7270/Q2FF3T3J
					More data for this Ligand-Target Pair