BDBM50035751 8-Methyl-3-p-tolyl-8-aza-bicyclo[3.2.1]octane-2-carboxylic acid isopropyl ester::CHEMBL321806

SMILES: CC(C)OC(=O)C1C2CCC(CC1c1ccc(C)cc1)N2C

InChI Key: InChIKey=YKXMGNSTADTLNN-UHFFFAOYSA-N

Data: 5 KI  6 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 11 hits for monomerid = 50035751   

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 dopamine transporter (Rattus norvegicus (rat))	BDBM50035751 (8-Methyl-3-p-tolyl-8-aza-bicyclo[3.2.1]octane-2-ca...) Show SMILES CC(C)OC(=O)C1C2CCC(CC1c1ccc(C)cc1)N2C |THB:4:6:20:8.9,13:12:20:8.9| Show InChI InChI=1S/C19H27NO2/c1-12(2)22-19(21)18-16(14-7-5-13(3)6-8-14)11-15-9-10-17(18)20(15)4/h5-8,12,15-18H,9-11H2,1-4H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	15	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]DA uptake by rat striatal dopamine transporter				J Med Chem 38: 379-88 (1995) BindingDB Entry DOI: 10.7270/Q2D50NM0
					More data for this Ligand-Target Pair
Norepinephrine Monoamine transporters (Rattus norvegicus)	BDBM50035751 (8-Methyl-3-p-tolyl-8-aza-bicyclo[3.2.1]octane-2-ca...) Show SMILES CC(C)OC(=O)C1C2CCC(CC1c1ccc(C)cc1)N2C |THB:4:6:20:8.9,13:12:20:8.9| Show InChI InChI=1S/C19H27NO2/c1-12(2)22-19(21)18-16(14-7-5-13(3)6-8-14)11-15-9-10-17(18)20(15)4/h5-8,12,15-18H,9-11H2,1-4H3	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	73	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]NE uptake by rat frontal cortex Norepinephrine transporter				J Med Chem 38: 379-88 (1995) BindingDB Entry DOI: 10.7270/Q2D50NM0
					More data for this Ligand-Target Pair
Norepinephrine Monoamine transporters (Rattus norvegicus)	BDBM50035751 (8-Methyl-3-p-tolyl-8-aza-bicyclo[3.2.1]octane-2-ca...) Show SMILES CC(C)OC(=O)C1C2CCC(CC1c1ccc(C)cc1)N2C |THB:4:6:20:8.9,13:12:20:8.9| Show InChI InChI=1S/C19H27NO2/c1-12(2)22-19(21)18-16(14-7-5-13(3)6-8-14)11-15-9-10-17(18)20(15)4/h5-8,12,15-18H,9-11H2,1-4H3	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	554	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Binding affinity towards norepinephrine transporter was determined using [3H]nisoxetine radioligand.				J Med Chem 47: 296-302 (2004) Article DOI: 10.1021/jm030453p BindingDB Entry DOI: 10.7270/Q2VT1SVR
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50035751 (8-Methyl-3-p-tolyl-8-aza-bicyclo[3.2.1]octane-2-ca...) Show SMILES CC(C)OC(=O)C1C2CCC(CC1c1ccc(C)cc1)N2C |THB:4:6:20:8.9,13:12:20:8.9| Show InChI InChI=1S/C19H27NO2/c1-12(2)22-19(21)18-16(14-7-5-13(3)6-8-14)11-15-9-10-17(18)20(15)4/h5-8,12,15-18H,9-11H2,1-4H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	917	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Ratio of Ki value towards Serotonin transporter to that of dopamine transporter				J Med Chem 38: 379-88 (1995) BindingDB Entry DOI: 10.7270/Q2D50NM0
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50035751 (8-Methyl-3-p-tolyl-8-aza-bicyclo[3.2.1]octane-2-ca...) Show SMILES CC(C)OC(=O)C1C2CCC(CC1c1ccc(C)cc1)N2C |THB:4:6:20:8.9,13:12:20:8.9| Show InChI InChI=1S/C19H27NO2/c1-12(2)22-19(21)18-16(14-7-5-13(3)6-8-14)11-15-9-10-17(18)20(15)4/h5-8,12,15-18H,9-11H2,1-4H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.16E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Binding affinity towards serotonin transporter 5-HTT was determined using [3H]paroxetine radioligand.				J Med Chem 47: 296-302 (2004) Article DOI: 10.1021/jm030453p BindingDB Entry DOI: 10.7270/Q2VT1SVR
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50035751 (8-Methyl-3-p-tolyl-8-aza-bicyclo[3.2.1]octane-2-ca...) Show SMILES CC(C)OC(=O)C1C2CCC(CC1c1ccc(C)cc1)N2C |THB:4:6:20:8.9,13:12:20:8.9| Show InChI InChI=1S/C19H27NO2/c1-12(2)22-19(21)18-16(14-7-5-13(3)6-8-14)11-15-9-10-17(18)20(15)4/h5-8,12,15-18H,9-11H2,1-4H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.93E+3	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibitory concentration required to inhibit serotonin transporter 5-HTT was determined by using [3H]paroxetine radioligand				J Med Chem 47: 296-302 (2004) Article DOI: 10.1021/jm030453p BindingDB Entry DOI: 10.7270/Q2VT1SVR
					More data for this Ligand-Target Pair
Norepinephrine Monoamine transporters (Rattus norvegicus)	BDBM50035751 (8-Methyl-3-p-tolyl-8-aza-bicyclo[3.2.1]octane-2-ca...) Show SMILES CC(C)OC(=O)C1C2CCC(CC1c1ccc(C)cc1)N2C |THB:4:6:20:8.9,13:12:20:8.9| Show InChI InChI=1S/C19H27NO2/c1-12(2)22-19(21)18-16(14-7-5-13(3)6-8-14)11-15-9-10-17(18)20(15)4/h5-8,12,15-18H,9-11H2,1-4H3	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.09E+3	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of norepinephrine transporter (NET) determined using [3H]nisoxetine radioligand.				J Med Chem 47: 296-302 (2004) Article DOI: 10.1021/jm030453p BindingDB Entry DOI: 10.7270/Q2VT1SVR
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50035751 (8-Methyl-3-p-tolyl-8-aza-bicyclo[3.2.1]octane-2-ca...) Show SMILES CC(C)OC(=O)C1C2CCC(CC1c1ccc(C)cc1)N2C |THB:4:6:20:8.9,13:12:20:8.9| Show InChI InChI=1S/C19H27NO2/c1-12(2)22-19(21)18-16(14-7-5-13(3)6-8-14)11-15-9-10-17(18)20(15)4/h5-8,12,15-18H,9-11H2,1-4H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.45	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibitory concentration required to inhibit dopamine transporter DAT was determined by using [3H]WIN-35428 radioligand				J Med Chem 47: 296-302 (2004) Article DOI: 10.1021/jm030453p BindingDB Entry DOI: 10.7270/Q2VT1SVR
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50035751 (8-Methyl-3-p-tolyl-8-aza-bicyclo[3.2.1]octane-2-ca...) Show SMILES CC(C)OC(=O)C1C2CCC(CC1c1ccc(C)cc1)N2C |THB:4:6:20:8.9,13:12:20:8.9| Show InChI InChI=1S/C19H27NO2/c1-12(2)22-19(21)18-16(14-7-5-13(3)6-8-14)11-15-9-10-17(18)20(15)4/h5-8,12,15-18H,9-11H2,1-4H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	6.09E+3	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Binding affinity at the Serotonin transporter in rat midbrain by inhibition of 0.5 nM [3H]-paroxetine binding				J Med Chem 38: 379-88 (1995) BindingDB Entry DOI: 10.7270/Q2D50NM0
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50035751 (8-Methyl-3-p-tolyl-8-aza-bicyclo[3.2.1]octane-2-ca...) Show SMILES CC(C)OC(=O)C1C2CCC(CC1c1ccc(C)cc1)N2C |THB:4:6:20:8.9,13:12:20:8.9| Show InChI InChI=1S/C19H27NO2/c1-12(2)22-19(21)18-16(14-7-5-13(3)6-8-14)11-15-9-10-17(18)20(15)4/h5-8,12,15-18H,9-11H2,1-4H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	6.5	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Binding affinity at the Dopamine transporter in rat striata by inhibition of 0.5 nM [3H]WIN-35428 binding				J Med Chem 38: 379-88 (1995) BindingDB Entry DOI: 10.7270/Q2D50NM0
					More data for this Ligand-Target Pair
Norepinephrine Monoamine transporters (Rattus norvegicus)	BDBM50035751 (8-Methyl-3-p-tolyl-8-aza-bicyclo[3.2.1]octane-2-ca...) Show SMILES CC(C)OC(=O)C1C2CCC(CC1c1ccc(C)cc1)N2C |THB:4:6:20:8.9,13:12:20:8.9| Show InChI InChI=1S/C19H27NO2/c1-12(2)22-19(21)18-16(14-7-5-13(3)6-8-14)11-15-9-10-17(18)20(15)4/h5-8,12,15-18H,9-11H2,1-4H3	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.93E+3	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Binding affinity at the Norepinephrine transporter in rat frontal cortex by inhibition of 0.5 nM [3H]nisoxetine binding				J Med Chem 38: 379-88 (1995) BindingDB Entry DOI: 10.7270/Q2D50NM0
					More data for this Ligand-Target Pair