BDBM50084716 (4-Hydroxy-1-methyl-4-p-tolyl-piperidin-3-yl)-p-tolyl-methanone; compound with 8-methyl-8-aza-bicyclo[3.2.1]octane-2,3-dicarboxylic acid 2-methyl ester 3-phenyl ester::CHEMBL120633::CHEMBL331787

SMILES: CN1CCC(O)(C(C1)C(=O)c1ccc(C)cc1)c1ccc(C)cc1

InChI Key: InChIKey=SWFNNRQTSSTAGB-UHFFFAOYSA-N

Data: 4 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 7 hits for monomerid = 50084716   

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))	BDBM50084716 ((4-Hydroxy-1-methyl-4-p-tolyl-piperidin-3-yl)-p-to...) Show SMILES CN1CCC(O)(C(C1)C(=O)c1ccc(C)cc1)c1ccc(C)cc1 Show InChI InChI=1S/C21H25NO2/c1-15-4-8-17(9-5-15)20(23)19-14-22(3)13-12-21(19,24)18-10-6-16(2)7-11-18/h4-11,19,24H,12-14H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	360	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Inhibition of [3H]-DA Uptake at Dopamine transporter in rat cortex was measured by liquid scintillation spectrometry				J Med Chem 43: 351-60 (2000) BindingDB Entry DOI: 10.7270/Q2ST7P39
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50084716 ((4-Hydroxy-1-methyl-4-p-tolyl-piperidin-3-yl)-p-to...) Show SMILES CN1CCC(O)(C(C1)C(=O)c1ccc(C)cc1)c1ccc(C)cc1 Show InChI InChI=1S/C21H25NO2/c1-15-4-8-17(9-5-15)20(23)19-14-22(3)13-12-21(19,24)18-10-6-16(2)7-11-18/h4-11,19,24H,12-14H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	492	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Binding Affinity to cocaine site of Dopamine transporter in caudate nuclei which was homogenized and incubated with [3H]-mazindol .				J Med Chem 43: 351-60 (2000) BindingDB Entry DOI: 10.7270/Q2ST7P39
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50084716 ((4-Hydroxy-1-methyl-4-p-tolyl-piperidin-3-yl)-p-to...) Show SMILES CN1CCC(O)(C(C1)C(=O)c1ccc(C)cc1)c1ccc(C)cc1 Show InChI InChI=1S/C21H25NO2/c1-15-4-8-17(9-5-15)20(23)19-14-22(3)13-12-21(19,24)18-10-6-16(2)7-11-18/h4-11,19,24H,12-14H2,1-3H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.63E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Compound was tested for Inhibition of [3H]-5-HT Uptake in rat mid brain.				J Med Chem 43: 351-60 (2000) BindingDB Entry DOI: 10.7270/Q2ST7P39
					More data for this Ligand-Target Pair
Norepinephrine Monoamine transporters (Rattus norvegicus)	BDBM50084716 ((4-Hydroxy-1-methyl-4-p-tolyl-piperidin-3-yl)-p-to...) Show SMILES CN1CCC(O)(C(C1)C(=O)c1ccc(C)cc1)c1ccc(C)cc1 Show InChI InChI=1S/C21H25NO2/c1-15-4-8-17(9-5-15)20(23)19-14-22(3)13-12-21(19,24)18-10-6-16(2)7-11-18/h4-11,19,24H,12-14H2,1-3H3	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.86E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Compound was tested for Inhibition of [3H]-NE Uptake in rat parietal/occipital cortex				J Med Chem 43: 351-60 (2000) BindingDB Entry DOI: 10.7270/Q2ST7P39
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50084716 ((4-Hydroxy-1-methyl-4-p-tolyl-piperidin-3-yl)-p-to...) Show SMILES CN1CCC(O)(C(C1)C(=O)c1ccc(C)cc1)c1ccc(C)cc1 Show InChI InChI=1S/C21H25NO2/c1-15-4-8-17(9-5-15)20(23)19-14-22(3)13-12-21(19,24)18-10-6-16(2)7-11-18/h4-11,19,24H,12-14H2,1-3H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.16E+3	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Antagonism of cocaine''s inhibition of [3H]-DA uptake at the dose of 500 nM				J Med Chem 43: 351-60 (2000) BindingDB Entry DOI: 10.7270/Q2ST7P39
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50084716 ((4-Hydroxy-1-methyl-4-p-tolyl-piperidin-3-yl)-p-to...) Show SMILES CN1CCC(O)(C(C1)C(=O)c1ccc(C)cc1)c1ccc(C)cc1 Show InChI InChI=1S/C21H25NO2/c1-15-4-8-17(9-5-15)20(23)19-14-22(3)13-12-21(19,24)18-10-6-16(2)7-11-18/h4-11,19,24H,12-14H2,1-3H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	470	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Antagonism of cocaine''s inhibition of [3H]-DA uptake at the dose of 50 nM				J Med Chem 43: 351-60 (2000) BindingDB Entry DOI: 10.7270/Q2ST7P39
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50084716 ((4-Hydroxy-1-methyl-4-p-tolyl-piperidin-3-yl)-p-to...) Show SMILES CN1CCC(O)(C(C1)C(=O)c1ccc(C)cc1)c1ccc(C)cc1 Show InChI InChI=1S/C21H25NO2/c1-15-4-8-17(9-5-15)20(23)19-14-22(3)13-12-21(19,24)18-10-6-16(2)7-11-18/h4-11,19,24H,12-14H2,1-3H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	717	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Medical Center Curated by ChEMBL					Assay Description Antagonism of cocaine''s inhibition of [3H]-DA uptake at the dose of 200 nM				J Med Chem 43: 351-60 (2000) BindingDB Entry DOI: 10.7270/Q2ST7P39
					More data for this Ligand-Target Pair