BindingDB PrimarySearch

BDBM50062915 CHEMBL827::METHYLPHENIDATE::methyl (2R)-phenyl[(2R)-piperidin-2-yl]acetate::methyl (R)-phenyl[(R)-piperidin-2-yl]acetate

SMILES: COC(=O)[C@@H]([C@H]1CCCCN1)c1ccccc1

InChI Key: InChIKey=DUGOZIWVEXMGBE-CHWSQXEVSA-N

Data: 5 KI 10 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 50062915
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50062915 (CHEMBL827 \| METHYLPHENIDATE \| methyl (2R)-phenyl[(...) Show SMILES COC(=O)[C@@H]([C@H]1CCCCN1)c1ccccc1 Show InChI	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]WIN-35,428 from human DAT expressed in mouse N2A cells after 15 mins by liquid scintillation counting				ACS Med Chem Lett 3: 378-382 (2012) Article DOI: 10.1021/ml3000098 BindingDB Entry DOI: 10.7270/Q2FX7BHG
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50062915 (CHEMBL827 \| METHYLPHENIDATE \| methyl (2R)-phenyl[(...) Show SMILES COC(=O)[C@@H]([C@H]1CCCCN1)c1ccccc1 Show InChI	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Mylan School of Pharmacy Curated by ChEMBL					Assay Description Displacement of [3H]WIN-35428 from human DAT stably expressed in mouse N2A cells by scintillation countnig				Bioorg Med Chem 19: 504-12 (2011) Article DOI: 10.1016/j.bmc.2010.11.002 BindingDB Entry DOI: 10.7270/Q29Z9567
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50062915 (CHEMBL827 \| METHYLPHENIDATE \| methyl (2R)-phenyl[(...) Show SMILES COC(=O)[C@@H]([C@H]1CCCCN1)c1ccccc1 Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	125	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard University Curated by PDSP K_i Database									J Pharmacol Exp Ther 301: 1097-102 (2002) Article DOI: 10.1124/jpet.301.3.1097 BindingDB Entry DOI: 10.7270/Q2ZW1JH0
Harvard University Curated by PDSP K_i Database					More data for this Ligand-Target Pair
Norepinephrine transporter (RAT)	BDBM50062915 (CHEMBL827 \| METHYLPHENIDATE \| methyl (2R)-phenyl[(...) Show SMILES COC(=O)[C@@H]([C@H]1CCCCN1)c1ccccc1 Show InChI	GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	126	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard University Curated by PDSP K_i Database									J Pharmacol Exp Ther 301: 1097-102 (2002) Article DOI: 10.1124/jpet.301.3.1097 BindingDB Entry DOI: 10.7270/Q2ZW1JH0
Harvard University Curated by PDSP K_i Database					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50062915 (CHEMBL827 \| METHYLPHENIDATE \| methyl (2R)-phenyl[(...) Show SMILES COC(=O)[C@@H]([C@H]1CCCCN1)c1ccccc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard University Curated by PDSP K_i Database									J Pharmacol Exp Ther 301: 1097-102 (2002) Article DOI: 10.1124/jpet.301.3.1097 BindingDB Entry DOI: 10.7270/Q2ZW1JH0
Harvard University Curated by PDSP K_i Database					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50062915 (CHEMBL827 \| METHYLPHENIDATE \| methyl (2R)-phenyl[(...) Show SMILES COC(=O)[C@@H]([C@H]1CCCCN1)c1ccccc1 Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibitory potency against [3H]DA uptake using [3H]WIN-35428 (WIN-) binding assay				J Med Chem 42: 4836-43 (1999) Article DOI: 10.1021/jm990306k BindingDB Entry DOI: 10.7270/Q2MS3TF1
Georgia Institute of Technology Curated by ChEMBL					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50062915 (CHEMBL827 \| METHYLPHENIDATE \| methyl (2R)-phenyl[(...) Show SMILES COC(=O)[C@@H]([C@H]1CCCCN1)c1ccccc1 Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	83	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibitory potency against dopamine (DA) transporter using [3H]WIN-35428 (WIN-) binding assay.				J Med Chem 42: 4836-43 (1999) Article DOI: 10.1021/jm990306k BindingDB Entry DOI: 10.7270/Q2MS3TF1
Georgia Institute of Technology Curated by ChEMBL					More data for this Ligand-Target Pair
Norepinephrine Monoamine transporters (Rattus norvegicus)	BDBM50062915 (CHEMBL827 \| METHYLPHENIDATE \| methyl (2R)-phenyl[(...) Show SMILES COC(=O)[C@@H]([C@H]1CCCCN1)c1ccccc1 Show InChI	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	989	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Selectivity for the norepinephrine transporter using [3H]nisoxetine binding assay				J Med Chem 42: 4836-43 (1999) Article DOI: 10.1021/jm990306k BindingDB Entry DOI: 10.7270/Q2MS3TF1
Georgia Institute of Technology Curated by ChEMBL					More data for this Ligand-Target Pair
Dopamine receptor (Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)	BDBM50062915 (CHEMBL827 \| METHYLPHENIDATE \| methyl (2R)-phenyl[(...) Show SMILES COC(=O)[C@@H]([C@H]1CCCCN1)c1ccccc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	83	n/a	n/a	n/a	n/a	n/a	n/a
State University of New York Curated by ChEMBL					Assay Description Potency of inhibiting 10 pM [125I]-RTI-55 binding to dopamine transporter in rat striatal membranes				Bioorg Med Chem Lett 14: 1799-802 (2004) Article DOI: 10.1016/j.bmcl.2003.12.097 BindingDB Entry DOI: 10.7270/Q2T43SJ8
State University of New York Curated by ChEMBL					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50062915 (CHEMBL827 \| METHYLPHENIDATE \| methyl (2R)-phenyl[(...) Show SMILES COC(=O)[C@@H]([C@H]1CCCCN1)c1ccccc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.24E+5	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Selectivity for the Serotonin transporter using [3H]paroxetine binding assay				J Med Chem 42: 4836-43 (1999) Article DOI: 10.1021/jm990306k BindingDB Entry DOI: 10.7270/Q2MS3TF1
Georgia Institute of Technology Curated by ChEMBL					More data for this Ligand-Target Pair
Dopamine receptor (Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)	BDBM50062915 (CHEMBL827 \| METHYLPHENIDATE \| methyl (2R)-phenyl[(...) Show SMILES COC(=O)[C@@H]([C@H]1CCCCN1)c1ccccc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	164	n/a	n/a	n/a	n/a	n/a	n/a
State University of New York Curated by ChEMBL					Assay Description Potency of inhibiting 10 pM [125I]-RTI-55 binding to dopamine receptor in rat striatal membranes				Bioorg Med Chem Lett 14: 1799-802 (2004) Article DOI: 10.1016/j.bmcl.2003.12.097 BindingDB Entry DOI: 10.7270/Q2T43SJ8
State University of New York Curated by ChEMBL					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50062915 (CHEMBL827 \| METHYLPHENIDATE \| methyl (2R)-phenyl[(...) Show SMILES COC(=O)[C@@H]([C@H]1CCCCN1)c1ccccc1 Show InChI	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	156	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Mylan School of Pharmacy Curated by ChEMBL					Assay Description Inhibition of [3H]dopamine uptake at human DAT expressed in mouse N2A cells				Bioorg Med Chem 19: 504-12 (2011) Article DOI: 10.1016/j.bmc.2010.11.002 BindingDB Entry DOI: 10.7270/Q29Z9567
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50062915 (CHEMBL827 \| METHYLPHENIDATE \| methyl (2R)-phenyl[(...) Show SMILES COC(=O)[C@@H]([C@H]1CCCCN1)c1ccccc1 Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	83	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Technology Curated by ChEMBL					Assay Description Displacement of [3H]WIN 35428 from Sprague-Dawley rat striatal tissue after 2 hrs by liquid scintillation counting				Bioorg Med Chem 18: 7221-38 (2010) Article DOI: 10.1016/j.bmc.2010.08.034 BindingDB Entry DOI: 10.7270/Q24F1QZZ
Institute of Technology Curated by ChEMBL					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50062915 (CHEMBL827 \| METHYLPHENIDATE \| methyl (2R)-phenyl[(...) Show SMILES COC(=O)[C@@H]([C@H]1CCCCN1)c1ccccc1 Show InChI	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	88	n/a	n/a	n/a	n/a	n/a	n/a
Organix Inc Curated by ChEMBL					Assay Description Inhibition of [3H]-WIN- 35,428 Binding to theDopamine Transporter in Rhesus (Macaca mulatta) orCynomolgus Monkey (Macaca fascicularis) Caudate-Putame...				J Med Chem 46: 1538-45 (2003) Article DOI: 10.1021/jm0205292 BindingDB Entry DOI: 10.7270/Q2RX9BF4
Organix Inc Curated by ChEMBL					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50062915 (CHEMBL827 \| METHYLPHENIDATE \| methyl (2R)-phenyl[(...) Show SMILES COC(=O)[C@@H]([C@H]1CCCCN1)c1ccccc1 Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	83	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description The compound was tested for its affinity at the rat striatal dopamine transporter by the displacement of [3H]WIN-35428				Bioorg Med Chem Lett 7: 1213-1218 (1997) Article DOI: 10.1016/S0960-894X(97)00193-5 BindingDB Entry DOI: 10.7270/Q27S7P87
TBA Curated by ChEMBL					More data for this Ligand-Target Pair