BDBM50055882 4-(2-Benzhydryloxy-ethyl)-1-(4-nitro-benzyl)-piperidine::CHEMBL34697

SMILES: [O-][N+](=O)c1ccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1

InChI Key: InChIKey=SOXZXITXFAWHRC-UHFFFAOYSA-N

Data: 5 KI  2 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 = 50055882   

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))	BDBM50055882 (4-(2-Benzhydryloxy-ethyl)-1-(4-nitro-benzyl)-piper...) Show SMILES [O-][N+](=O)c1ccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1 Show InChI InChI=1S/C27H30N2O3/c30-29(31)26-13-11-23(12-14-26)21-28-18-15-22(16-19-28)17-20-32-27(24-7-3-1-4-8-24)25-9-5-2-6-10-25/h1-14,22,27H,15-21H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description Affinity at rat dopamine transporter using [125I]-RTI-55 displacement.				J Med Chem 46: 1465-9 (2003) Article DOI: 10.1021/jm020419v BindingDB Entry DOI: 10.7270/Q2WQ035D
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50055882 (4-(2-Benzhydryloxy-ethyl)-1-(4-nitro-benzyl)-piper...) Show SMILES [O-][N+](=O)c1ccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1 Show InChI InChI=1S/C27H30N2O3/c30-29(31)26-13-11-23(12-14-26)21-28-18-15-22(16-19-28)17-20-32-27(24-7-3-1-4-8-24)25-9-5-2-6-10-25/h1-14,22,27H,15-21H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description Inhibition of [3H]-dopamine uptake via rat dopamine receptor.				J Med Chem 46: 1465-9 (2003) Article DOI: 10.1021/jm020419v BindingDB Entry DOI: 10.7270/Q2WQ035D
					More data for this Ligand-Target Pair
Norepinephrine Monoamine transporters (Rattus norvegicus)	BDBM50055882 (4-(2-Benzhydryloxy-ethyl)-1-(4-nitro-benzyl)-piper...) Show SMILES [O-][N+](=O)c1ccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1 Show InChI InChI=1S/C27H30N2O3/c30-29(31)26-13-11-23(12-14-26)21-28-18-15-22(16-19-28)17-20-32-27(24-7-3-1-4-8-24)25-9-5-2-6-10-25/h1-14,22,27H,15-21H2	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	208	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description Inhibition of [3H]-norepinephrine uptake at the rat norepinephrine transporter.				J Med Chem 46: 1465-9 (2003) Article DOI: 10.1021/jm020419v BindingDB Entry DOI: 10.7270/Q2WQ035D
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50055882 (4-(2-Benzhydryloxy-ethyl)-1-(4-nitro-benzyl)-piper...) Show SMILES [O-][N+](=O)c1ccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1 Show InChI InChI=1S/C27H30N2O3/c30-29(31)26-13-11-23(12-14-26)21-28-18-15-22(16-19-28)17-20-32-27(24-7-3-1-4-8-24)25-9-5-2-6-10-25/h1-14,22,27H,15-21H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.15E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description Affinity at rat serotonin transporter using [125I]-RTI-55 displacement.				J Med Chem 46: 1465-9 (2003) Article DOI: 10.1021/jm020419v BindingDB Entry DOI: 10.7270/Q2WQ035D
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50055882 (4-(2-Benzhydryloxy-ethyl)-1-(4-nitro-benzyl)-piper...) Show SMILES [O-][N+](=O)c1ccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1 Show InChI InChI=1S/C27H30N2O3/c30-29(31)26-13-11-23(12-14-26)21-28-18-15-22(16-19-28)17-20-32-27(24-7-3-1-4-8-24)25-9-5-2-6-10-25/h1-14,22,27H,15-21H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.58E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description Inhibition of [3H]-5-HT uptake at the rat serotonin transporter.				J Med Chem 46: 1465-9 (2003) Article DOI: 10.1021/jm020419v BindingDB Entry DOI: 10.7270/Q2WQ035D
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50055882 (4-(2-Benzhydryloxy-ethyl)-1-(4-nitro-benzyl)-piper...) Show SMILES [O-][N+](=O)c1ccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1 Show InChI InChI=1S/C27H30N2O3/c30-29(31)26-13-11-23(12-14-26)21-28-18-15-22(16-19-28)17-20-32-27(24-7-3-1-4-8-24)25-9-5-2-6-10-25/h1-14,22,27H,15-21H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16.4	n/a	n/a	n/a	n/a	n/a	n/a
Organix Inc. Curated by ChEMBL					Assay Description In vitro inhibition of [3H]-WIN- 35, 428 binding to dopamine transporter on rat striatal membranes.				J Med Chem 40: 35-43 (1997) Article DOI: 10.1021/jm960638e BindingDB Entry DOI: 10.7270/Q2N29W28
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50055882 (4-(2-Benzhydryloxy-ethyl)-1-(4-nitro-benzyl)-piper...) Show SMILES [O-][N+](=O)c1ccc(CN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1 Show InChI InChI=1S/C27H30N2O3/c30-29(31)26-13-11-23(12-14-26)21-28-18-15-22(16-19-28)17-20-32-27(24-7-3-1-4-8-24)25-9-5-2-6-10-25/h1-14,22,27H,15-21H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.77E+3	n/a	n/a	n/a	n/a	n/a	n/a
Organix Inc. Curated by ChEMBL					Assay Description In vitro inhibition of [3H]-citalopram binding to serotonin transporter on rat striatal membranes.				J Med Chem 40: 35-43 (1997) Article DOI: 10.1021/jm960638e BindingDB Entry DOI: 10.7270/Q2N29W28
					More data for this Ligand-Target Pair