BindingDB PrimarySearch

BDBM50062912 CHEMBL796::Methylphenidate::alpha-phenyl-2-piperidineacetic acid methyl ester::methyl alpha-phenyl-alpha-(2-piperidyl)acetate::methyl alpha-phenyl-alpha-2-piperidinylacetate::methyl phenidylacetate::methyl phenyl(piperidin-2-yl)acetate::methylphenidan

SMILES: COC(=O)C(C1CCCCN1)c1ccccc1

InChI Key: InChIKey=DUGOZIWVEXMGBE-UHFFFAOYSA-N

Data: 8 KI 5 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 50062912
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))	BDBM50062912 (CHEMBL796 \| Methylphenidate \| alpha-phenyl-2-piper...) Show SMILES COC(=O)C(C1CCCCN1)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	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AMRI Curated by ChEMBL					Assay Description Displacement of [3H]WIN 35,428 from human DAT expressed in HEK293E cells after 1 hr by liquid scintillation counting				ACS Med Chem Lett 5: 760-5 (2014) Article DOI: 10.1021/ml500053b BindingDB Entry DOI: 10.7270/Q2154JPR
AMRI Curated by ChEMBL					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50062912 (CHEMBL796 \| Methylphenidate \| alpha-phenyl-2-piper...) Show SMILES COC(=O)C(C1CCCCN1)c1ccccc1 Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	57	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by PDSP K_i Database									J Pharmacol Exp Ther 314: 575-83 (2005) Article DOI: 10.1124/jpet.105.085829 BindingDB Entry DOI: 10.7270/Q27M06H6
Duquesne University Curated by PDSP K_i Database					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50062912 (CHEMBL796 \| Methylphenidate \| alpha-phenyl-2-piper...) Show SMILES COC(=O)C(C1CCCCN1)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	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts College of Pharmacy and Health Sciences Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 from human DAT expressing HEK293 cells				J Med Chem 50: 219-32 (2007) Article DOI: 10.1021/jm0608614 BindingDB Entry DOI: 10.7270/Q2PN96F3
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50062912 (CHEMBL796 \| Methylphenidate \| alpha-phenyl-2-piper...) Show SMILES COC(=O)C(C1CCCCN1)c1ccccc1 Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	152	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by PDSP K_i Database									J Pharmacol Exp Ther 314: 575-83 (2005) Article DOI: 10.1124/jpet.105.085829 BindingDB Entry DOI: 10.7270/Q27M06H6
Duquesne University Curated by PDSP K_i Database					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50062912 (CHEMBL796 \| Methylphenidate \| alpha-phenyl-2-piper...) Show SMILES COC(=O)C(C1CCCCN1)c1ccccc1 Show InChI	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AMRI Curated by ChEMBL					Assay Description Displacement of [3H]Nisoxetine from human NET expressed in HEK293E cells after 1 hr by liquid scintillation counting				ACS Med Chem Lett 5: 760-5 (2014) Article DOI: 10.1021/ml500053b BindingDB Entry DOI: 10.7270/Q2154JPR
AMRI Curated by ChEMBL					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50062912 (CHEMBL796 \| Methylphenidate \| alpha-phenyl-2-piper...) Show SMILES COC(=O)C(C1CCCCN1)c1ccccc1 Show InChI	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	660	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts College of Pharmacy and Health Sciences Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 from human NET expressing HEK293 cells				J Med Chem 50: 219-32 (2007) Article DOI: 10.1021/jm0608614 BindingDB Entry DOI: 10.7270/Q2PN96F3
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50062912 (CHEMBL796 \| Methylphenidate \| alpha-phenyl-2-piper...) Show SMILES COC(=O)C(C1CCCCN1)c1ccccc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AMRI Curated by ChEMBL					Assay Description Displacement of [3H]Citolapram from human SERT expressed in HEK293E cells after 1 hr by liquid scintillation counting				ACS Med Chem Lett 5: 760-5 (2014) Article DOI: 10.1021/ml500053b BindingDB Entry DOI: 10.7270/Q2154JPR
AMRI Curated by ChEMBL					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50062912 (CHEMBL796 \| Methylphenidate \| alpha-phenyl-2-piper...) Show SMILES COC(=O)C(C1CCCCN1)c1ccccc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	6.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts College of Pharmacy and Health Sciences Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 from human SERT expressing HEK293 cells				J Med Chem 50: 219-32 (2007) Article DOI: 10.1021/jm0608614 BindingDB Entry DOI: 10.7270/Q2PN96F3
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50062912 (CHEMBL796 \| Methylphenidate \| alpha-phenyl-2-piper...) Show SMILES COC(=O)C(C1CCCCN1)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	17	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))	BDBM50062912 (CHEMBL796 \| Methylphenidate \| alpha-phenyl-2-piper...) Show SMILES COC(=O)C(C1CCCCN1)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
Organix Inc Curated by ChEMBL					Assay Description Tested for the ability to bind stereoselectivelyand enantioselectively to the dopamine transporter(DAT); Value ranges from 34 - 83 nM				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 (Homo sapiens (Human))	BDBM50062912 (CHEMBL796 \| Methylphenidate \| alpha-phenyl-2-piper...) Show SMILES COC(=O)C(C1CCCCN1)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	79	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts College of Pharmacy and Health Sciences Curated by ChEMBL					Assay Description Inhibition of [3H]DA uptake at human DAT expressing HEK293 cells				J Med Chem 50: 219-32 (2007) Article DOI: 10.1021/jm0608614 BindingDB Entry DOI: 10.7270/Q2PN96F3
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50062912 (CHEMBL796 \| Methylphenidate \| alpha-phenyl-2-piper...) Show SMILES COC(=O)C(C1CCCCN1)c1ccccc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	5.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts College of Pharmacy and Health Sciences Curated by ChEMBL					Assay Description Inhibition of [3H]5-HT uptake into human SERT expressing HEK293 cells				J Med Chem 50: 219-32 (2007) Article DOI: 10.1021/jm0608614 BindingDB Entry DOI: 10.7270/Q2PN96F3
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50062912 (CHEMBL796 \| Methylphenidate \| alpha-phenyl-2-piper...) Show SMILES COC(=O)C(C1CCCCN1)c1ccccc1 Show InChI	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	61	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts College of Pharmacy and Health Sciences Curated by ChEMBL					Assay Description Inhibition of [3H]NE uptake into human NET expressing HEK293 cells				J Med Chem 50: 219-32 (2007) Article DOI: 10.1021/jm0608614 BindingDB Entry DOI: 10.7270/Q2PN96F3
					More data for this Ligand-Target Pair