BDBM50093781 3-p-Tolyl-8-aza-bicyclo[3.2.1]octane::3-p-Tolyl-8-aza-bicyclo[3.2.1]octane-2-carboxylic acid methyl ester::CHEMBL80262

SMILES: COC(=O)C1C2CCC(CC1c1ccc(C)cc1)N2

InChI Key: InChIKey=YUMUSCBAOZYAIX-UHFFFAOYSA-N

Data: 8 KI  12 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 20 hits for monomerid = 50093781   

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)	BDBM50093781 (3-p-Tolyl-8-aza-bicyclo[3.2.1]octane | 3-p-Tolyl-8...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc(C)cc1)N2 |THB:2:4:18:6.7,11:10:18:6.7| Show InChI InChI=1S/C16H21NO2/c1-10-3-5-11(6-4-10)13-9-12-7-8-14(17-12)15(13)16(18)19-2/h3-6,12-15,17H,7-9H2,1-2H3	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.40	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
Norepinephrine Monoamine transporters (Rattus norvegicus)	BDBM50093781 (3-p-Tolyl-8-aza-bicyclo[3.2.1]octane | 3-p-Tolyl-8...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc(C)cc1)N2 |THB:2:4:18:6.7,11:10:18:6.7| Show InChI InChI=1S/C16H21NO2/c1-10-3-5-11(6-4-10)13-9-12-7-8-14(17-12)15(13)16(18)19-2/h3-6,12-15,17H,7-9H2,1-2H3	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	4.40	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 0.5 nM [3H]nisoxetine binding to Norepinephrine transporter				Bioorg Med Chem Lett 10: 2445-7 (2001) BindingDB Entry DOI: 10.7270/Q2474BCV
					More data for this Ligand-Target Pair
Norepinephrine Monoamine transporters (Rattus norvegicus)	BDBM50093781 (3-p-Tolyl-8-aza-bicyclo[3.2.1]octane | 3-p-Tolyl-8...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc(C)cc1)N2 |THB:2:4:18:6.7,11:10:18:6.7| Show InChI InChI=1S/C16H21NO2/c1-10-3-5-11(6-4-10)13-9-12-7-8-14(17-12)15(13)16(18)19-2/h3-6,12-15,17H,7-9H2,1-2H3	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	5.20	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
Monoamine transporters; Norepininephrine & dopamine (Rattus norvegicus)	BDBM50093781 (3-p-Tolyl-8-aza-bicyclo[3.2.1]octane | 3-p-Tolyl-8...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc(C)cc1)N2 |THB:2:4:18:6.7,11:10:18:6.7| Show InChI InChI=1S/C16H21NO2/c1-10-3-5-11(6-4-10)13-9-12-7-8-14(17-12)15(13)16(18)19-2/h3-6,12-15,17H,7-9H2,1-2H3	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	5.20	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 0.5 nM [3H]nisoxetine binding toNorepinephrine transporter				Bioorg Med Chem Lett 10: 2445-7 (2001) BindingDB Entry DOI: 10.7270/Q2474BCV
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50093781 (3-p-Tolyl-8-aza-bicyclo[3.2.1]octane | 3-p-Tolyl-8...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc(C)cc1)N2 |THB:2:4:18:6.7,11:10:18:6.7| Show InChI InChI=1S/C16H21NO2/c1-10-3-5-11(6-4-10)13-9-12-7-8-14(17-12)15(13)16(18)19-2/h3-6,12-15,17H,7-9H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	12	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))	BDBM50093781 (3-p-Tolyl-8-aza-bicyclo[3.2.1]octane | 3-p-Tolyl-8...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc(C)cc1)N2 |THB:2:4:18:6.7,11:10:18:6.7| Show InChI InChI=1S/C16H21NO2/c1-10-3-5-11(6-4-10)13-9-12-7-8-14(17-12)15(13)16(18)19-2/h3-6,12-15,17H,7-9H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	12	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 0.2 nM [3H]paroxetine binding to Serotonin transporter				Bioorg Med Chem Lett 10: 2445-7 (2001) BindingDB Entry DOI: 10.7270/Q2474BCV
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50093781 (3-p-Tolyl-8-aza-bicyclo[3.2.1]octane | 3-p-Tolyl-8...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc(C)cc1)N2 |THB:2:4:18:6.7,11:10:18:6.7| Show InChI InChI=1S/C16H21NO2/c1-10-3-5-11(6-4-10)13-9-12-7-8-14(17-12)15(13)16(18)19-2/h3-6,12-15,17H,7-9H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	46	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 0.2 nM [3H]paroxetine binding to Serotonin transporter				Bioorg Med Chem Lett 10: 2445-7 (2001) BindingDB Entry DOI: 10.7270/Q2474BCV
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50093781 (3-p-Tolyl-8-aza-bicyclo[3.2.1]octane | 3-p-Tolyl-8...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc(C)cc1)N2 |THB:2:4:18:6.7,11:10:18:6.7| Show InChI InChI=1S/C16H21NO2/c1-10-3-5-11(6-4-10)13-9-12-7-8-14(17-12)15(13)16(18)19-2/h3-6,12-15,17H,7-9H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	46	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
Monoamine transporters; Norepininephrine & dopamine (Rattus norvegicus)	BDBM50093781 (3-p-Tolyl-8-aza-bicyclo[3.2.1]octane | 3-p-Tolyl-8...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc(C)cc1)N2 |THB:2:4:18:6.7,11:10:18:6.7| Show InChI InChI=1S/C16H21NO2/c1-10-3-5-11(6-4-10)13-9-12-7-8-14(17-12)15(13)16(18)19-2/h3-6,12-15,17H,7-9H2,1-2H3	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	7.20	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of 0.5 nM [3H]nisoxetine binding to Norepinephrine transporter				Bioorg Med Chem Lett 10: 2445-7 (2001) BindingDB Entry DOI: 10.7270/Q2474BCV
					More data for this Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine (Rattus norvegicus)	BDBM50093781 (3-p-Tolyl-8-aza-bicyclo[3.2.1]octane | 3-p-Tolyl-8...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc(C)cc1)N2 |THB:2:4:18:6.7,11:10:18:6.7| Show InChI InChI=1S/C16H21NO2/c1-10-3-5-11(6-4-10)13-9-12-7-8-14(17-12)15(13)16(18)19-2/h3-6,12-15,17H,7-9H2,1-2H3	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of 0.2 nM [3H]paroxetine binding to Serotonin transporter				Bioorg Med Chem Lett 10: 2445-7 (2001) BindingDB Entry DOI: 10.7270/Q2474BCV
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50093781 (3-p-Tolyl-8-aza-bicyclo[3.2.1]octane | 3-p-Tolyl-8...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc(C)cc1)N2 |THB:2:4:18:6.7,11:10:18:6.7| Show InChI InChI=1S/C16H21NO2/c1-10-3-5-11(6-4-10)13-9-12-7-8-14(17-12)15(13)16(18)19-2/h3-6,12-15,17H,7-9H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Displacement of 0.5 nM [3H]WIN-35248 from Dopamine transporter				Bioorg Med Chem Lett 10: 2445-7 (2001) BindingDB Entry DOI: 10.7270/Q2474BCV
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50093781 (3-p-Tolyl-8-aza-bicyclo[3.2.1]octane | 3-p-Tolyl-8...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc(C)cc1)N2 |THB:2:4:18:6.7,11:10:18:6.7| Show InChI InChI=1S/C16H21NO2/c1-10-3-5-11(6-4-10)13-9-12-7-8-14(17-12)15(13)16(18)19-2/h3-6,12-15,17H,7-9H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	135	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of 0.5 nM [3H]nisoxetine binding to Norepinephrine transporter				Bioorg Med Chem Lett 10: 2445-7 (2001) BindingDB Entry DOI: 10.7270/Q2474BCV
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50093781 (3-p-Tolyl-8-aza-bicyclo[3.2.1]octane | 3-p-Tolyl-8...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc(C)cc1)N2 |THB:2:4:18:6.7,11:10:18:6.7| Show InChI InChI=1S/C16H21NO2/c1-10-3-5-11(6-4-10)13-9-12-7-8-14(17-12)15(13)16(18)19-2/h3-6,12-15,17H,7-9H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	135	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
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50093781 (3-p-Tolyl-8-aza-bicyclo[3.2.1]octane | 3-p-Tolyl-8...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc(C)cc1)N2 |THB:2:4:18:6.7,11:10:18:6.7| Show InChI InChI=1S/C16H21NO2/c1-10-3-5-11(6-4-10)13-9-12-7-8-14(17-12)15(13)16(18)19-2/h3-6,12-15,17H,7-9H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	33.6	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
Norepinephrine Monoamine transporters (Rattus norvegicus)	BDBM50093781 (3-p-Tolyl-8-aza-bicyclo[3.2.1]octane | 3-p-Tolyl-8...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc(C)cc1)N2 |THB:2:4:18:6.7,11:10:18:6.7| Show InChI InChI=1S/C16H21NO2/c1-10-3-5-11(6-4-10)13-9-12-7-8-14(17-12)15(13)16(18)19-2/h3-6,12-15,17H,7-9H2,1-2H3	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.20	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 serotonin transporter (Rattus norvegicus (rat))	BDBM50093781 (3-p-Tolyl-8-aza-bicyclo[3.2.1]octane | 3-p-Tolyl-8...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc(C)cc1)N2 |THB:2:4:18:6.7,11:10:18:6.7| Show InChI InChI=1S/C16H21NO2/c1-10-3-5-11(6-4-10)13-9-12-7-8-14(17-12)15(13)16(18)19-2/h3-6,12-15,17H,7-9H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	500	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)	BDBM50093781 (3-p-Tolyl-8-aza-bicyclo[3.2.1]octane | 3-p-Tolyl-8...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc(C)cc1)N2 |THB:2:4:18:6.7,11:10:18:6.7| Show InChI InChI=1S/C16H21NO2/c1-10-3-5-11(6-4-10)13-9-12-7-8-14(17-12)15(13)16(18)19-2/h3-6,12-15,17H,7-9H2,1-2H3	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9	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))	BDBM50093781 (3-p-Tolyl-8-aza-bicyclo[3.2.1]octane | 3-p-Tolyl-8...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc(C)cc1)N2 |THB:2:4:18:6.7,11:10:18:6.7| Show InChI InChI=1S/C16H21NO2/c1-10-3-5-11(6-4-10)13-9-12-7-8-14(17-12)15(13)16(18)19-2/h3-6,12-15,17H,7-9H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.840	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
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50093781 (3-p-Tolyl-8-aza-bicyclo[3.2.1]octane | 3-p-Tolyl-8...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc(C)cc1)N2 |THB:2:4:18:6.7,11:10:18:6.7| Show InChI InChI=1S/C16H21NO2/c1-10-3-5-11(6-4-10)13-9-12-7-8-14(17-12)15(13)16(18)19-2/h3-6,12-15,17H,7-9H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.840	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Displacement of 0.5 nM [3H]WIN-35248 from Dopamine transporter				Bioorg Med Chem Lett 10: 2445-7 (2001) BindingDB Entry DOI: 10.7270/Q2474BCV
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50093781 (3-p-Tolyl-8-aza-bicyclo[3.2.1]octane | 3-p-Tolyl-8...) Show SMILES COC(=O)C1C2CCC(CC1c1ccc(C)cc1)N2 |THB:2:4:18:6.7,11:10:18:6.7| Show InChI InChI=1S/C16H21NO2/c1-10-3-5-11(6-4-10)13-9-12-7-8-14(17-12)15(13)16(18)19-2/h3-6,12-15,17H,7-9H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of 0.2 nM [3H]paroxetine binding to Serotonin transporter				Bioorg Med Chem Lett 10: 2445-7 (2001) BindingDB Entry DOI: 10.7270/Q2474BCV
					More data for this Ligand-Target Pair