BindingDB PrimarySearch

BDBM50050098 (S)-Phenyl-(S)-piperidin-2-yl-acetic acid methyl ester; hydrochloride::CHEMBL542556::METHYLPHENIDATE

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

InChI Key: InChIKey=DUGOZIWVEXMGBE-STQMWFEESA-N

Data: 16 KI 8 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 24 hits for monomerid = 50050098
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50050098 ((S)-Phenyl-(S)-piperidin-2-yl-acetic acid methyl e...) Show SMILES COC(=O)[C@H]([C@@H]1CCCCN1)c1ccccc1 Show InChI	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by PDSP K_i Database									Mol Pharmacol 45: 125-35 (1994) BindingDB Entry DOI: 10.7270/Q2NG4P5C
University of Toronto Curated by PDSP K_i Database					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50050098 ((S)-Phenyl-(S)-piperidin-2-yl-acetic acid methyl e...) Show SMILES COC(=O)[C@H]([C@@H]1CCCCN1)c1ccccc1 Show InChI	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by PDSP K_i Database									Neuropsychopharmacology 27: 699-711 (2002) Article DOI: 10.1016/S0893-133X(02)00346-9 BindingDB Entry DOI: 10.7270/Q2GQ6W98
Lilly Research Laboratories Curated by PDSP K_i Database					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50050098 ((S)-Phenyl-(S)-piperidin-2-yl-acetic acid methyl e...) Show SMILES COC(=O)[C@H]([C@@H]1CCCCN1)c1ccccc1 Show InChI	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by PDSP K_i Database									Mol Pharmacol 45: 125-35 (1994) BindingDB Entry DOI: 10.7270/Q2NG4P5C
University of Toronto Curated by PDSP K_i Database					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50050098 ((S)-Phenyl-(S)-piperidin-2-yl-acetic acid methyl e...) Show SMILES COC(=O)[C@H]([C@@H]1CCCCN1)c1ccccc1 Show InChI	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by PDSP K_i Database									Mol Pharmacol 45: 125-35 (1994) BindingDB Entry DOI: 10.7270/Q2NG4P5C
University of Toronto Curated by PDSP K_i Database					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50050098 ((S)-Phenyl-(S)-piperidin-2-yl-acetic acid methyl e...) Show SMILES COC(=O)[C@H]([C@@H]1CCCCN1)c1ccccc1 Show InChI	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	61	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by PDSP K_i Database									Mol Pharmacol 45: 125-35 (1994) BindingDB Entry DOI: 10.7270/Q2NG4P5C
University of Toronto Curated by PDSP K_i Database					More data for this Ligand-Target Pair
Norepinephrine transporter (RAT)	BDBM50050098 ((S)-Phenyl-(S)-piperidin-2-yl-acetic acid methyl e...) Show SMILES COC(=O)[C@H]([C@@H]1CCCCN1)c1ccccc1 Show InChI	GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	103	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novo Industri A/S Curated by PDSP K_i Database									Eur J Pharmacol 166: 493-504 (1989) Article DOI: 10.1016/0014-2999(89)90363-4 BindingDB Entry DOI: 10.7270/Q28C9TR3
Novo Industri A/S Curated by PDSP K_i Database					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50050098 ((S)-Phenyl-(S)-piperidin-2-yl-acetic acid methyl e...) Show SMILES COC(=O)[C@H]([C@@H]1CCCCN1)c1ccccc1 Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	281	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novo Industri A/S Curated by PDSP K_i Database									Eur J Pharmacol 166: 493-504 (1989) Article DOI: 10.1016/0014-2999(89)90363-4 BindingDB Entry DOI: 10.7270/Q28C9TR3
Novo Industri A/S Curated by PDSP K_i Database					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50050098 ((S)-Phenyl-(S)-piperidin-2-yl-acetic acid methyl e...) Show SMILES COC(=O)[C@H]([C@@H]1CCCCN1)c1ccccc1 Show InChI	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	339	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by PDSP K_i Database									Neuropsychopharmacology 27: 699-711 (2002) Article DOI: 10.1016/S0893-133X(02)00346-9 BindingDB Entry DOI: 10.7270/Q2GQ6W98
Lilly Research Laboratories Curated by PDSP K_i Database					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM50050098 ((S)-Phenyl-(S)-piperidin-2-yl-acetic acid methyl e...) Show SMILES COC(=O)[C@H]([C@@H]1CCCCN1)c1ccccc1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novo Industri A/S Curated by PDSP K_i Database									Eur J Pharmacol 166: 493-504 (1989) Article DOI: 10.1016/0014-2999(89)90363-4 BindingDB Entry DOI: 10.7270/Q28C9TR3
Novo Industri A/S Curated by PDSP K_i Database					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50050098 ((S)-Phenyl-(S)-piperidin-2-yl-acetic acid methyl e...) Show SMILES COC(=O)[C@H]([C@@H]1CCCCN1)c1ccccc1 Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by PDSP K_i Database									Neuropsychopharmacology 27: 699-711 (2002) Article DOI: 10.1016/S0893-133X(02)00346-9 BindingDB Entry DOI: 10.7270/Q2GQ6W98
Lilly Research Laboratories Curated by PDSP K_i Database					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50050098 ((S)-Phenyl-(S)-piperidin-2-yl-acetic acid methyl e...) Show SMILES COC(=O)[C@H]([C@@H]1CCCCN1)c1ccccc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by PDSP K_i Database									NIDA Res Monogr 178: 440-66 (1998) BindingDB Entry DOI: 10.7270/Q23J3BH2
SRI International Curated by PDSP K_i Database					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50050098 ((S)-Phenyl-(S)-piperidin-2-yl-acetic acid methyl e...) Show SMILES COC(=O)[C@H]([C@@H]1CCCCN1)c1ccccc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by PDSP K_i Database									NIDA Res Monogr 178: 440-66 (1998) BindingDB Entry DOI: 10.7270/Q23J3BH2
SRI International Curated by PDSP K_i Database					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50050098 ((S)-Phenyl-(S)-piperidin-2-yl-acetic acid methyl e...) Show SMILES COC(=O)[C@H]([C@@H]1CCCCN1)c1ccccc1 Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by PDSP K_i Database									NIDA Res Monogr 178: 440-66 (1998) BindingDB Entry DOI: 10.7270/Q23J3BH2
SRI International Curated by PDSP K_i Database					More data for this Ligand-Target Pair
5-HT3A Serotonin Receptor (Mus musculus (house mouse))	BDBM50050098 ((S)-Phenyl-(S)-piperidin-2-yl-acetic acid methyl e...) Show SMILES COC(=O)[C@H]([C@@H]1CCCCN1)c1ccccc1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by PDSP K_i Database									NIDA Res Monogr 178: 440-66 (1998) BindingDB Entry DOI: 10.7270/Q23J3BH2
SRI International Curated by PDSP K_i Database					More data for this Ligand-Target Pair
Serotonin receptor 2a and 2c (5HT2A and 5HT2C) (Rattus norvegicus (Rat))	BDBM50050098 ((S)-Phenyl-(S)-piperidin-2-yl-acetic acid methyl e...) Show SMILES COC(=O)[C@H]([C@@H]1CCCCN1)c1ccccc1 Show InChI	KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by PDSP K_i Database									NIDA Res Monogr 178: 440-66 (1998) BindingDB Entry DOI: 10.7270/Q23J3BH2
SRI International Curated by PDSP K_i Database					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50050098 ((S)-Phenyl-(S)-piperidin-2-yl-acetic acid methyl e...) Show SMILES COC(=O)[C@H]([C@@H]1CCCCN1)c1ccccc1 Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SRI International Curated by PDSP K_i Database									NIDA Res Monogr 178: 440-66 (1998) BindingDB Entry DOI: 10.7270/Q23J3BH2
SRI International Curated by PDSP K_i Database					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM50050098 ((S)-Phenyl-(S)-piperidin-2-yl-acetic acid methyl e...) Show SMILES COC(=O)[C@H]([C@@H]1CCCCN1)c1ccccc1 Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	83	n/a	n/a	n/a	n/a	n/a	n/a
School of Chemistry and Biochemistry Curated by ChEMBL					Assay Description Inhibition of [3H]WIN-35428 binding to dopamine transporter using rat striatal tissue				J Med Chem 39: 1201-9 (1996) Article DOI: 10.1021/jm950697c BindingDB Entry DOI: 10.7270/Q2J67HK4
School of Chemistry and Biochemistry Curated by ChEMBL					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50050098 ((S)-Phenyl-(S)-piperidin-2-yl-acetic acid methyl e...) Show SMILES COC(=O)[C@H]([C@@H]1CCCCN1)c1ccccc1 Show InChI	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+3	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))	BDBM50050098 ((S)-Phenyl-(S)-piperidin-2-yl-acetic acid methyl e...) Show SMILES COC(=O)[C@H]([C@@H]1CCCCN1)c1ccccc1 Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	224	n/a	n/a	n/a	n/a	n/a	n/a
School of Chemistry and Biochemistry Curated by ChEMBL					Assay Description Inhibitory activity against [3H]dopamine uptake in rat striatal tissue				J Med Chem 39: 1201-9 (1996) Article DOI: 10.1021/jm950697c BindingDB Entry DOI: 10.7270/Q2J67HK4
School of Chemistry and Biochemistry Curated by ChEMBL					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50050098 ((S)-Phenyl-(S)-piperidin-2-yl-acetic acid methyl e...) Show SMILES COC(=O)[C@H]([C@@H]1CCCCN1)c1ccccc1 Show InChI	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19.9	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of South Carolina Curated by ChEMBL					Assay Description Inhibition of [3H]dopamine uptake in HEK293 cells expressing human dopamine transporter				J Med Chem 48: 2876-81 (2005) Article DOI: 10.1021/jm0490989 BindingDB Entry DOI: 10.7270/Q2319WP1
Medical University of South Carolina Curated by ChEMBL					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50050098 ((S)-Phenyl-(S)-piperidin-2-yl-acetic acid methyl e...) Show SMILES COC(=O)[C@H]([C@@H]1CCCCN1)c1ccccc1 Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of South Carolina Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 from human Serotonin transporter expressed in HEK293 cells				J Med Chem 48: 2876-81 (2005) Article DOI: 10.1021/jm0490989 BindingDB Entry DOI: 10.7270/Q2319WP1
Medical University of South Carolina Curated by ChEMBL					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50050098 ((S)-Phenyl-(S)-piperidin-2-yl-acetic acid methyl e...) Show SMILES COC(=O)[C@H]([C@@H]1CCCCN1)c1ccccc1 Show InChI	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	788	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of South Carolina Curated by ChEMBL					Assay Description Displacement of [125I]RTI-55 from human Norepinephrine transporter expressed in HEK293 cells				J Med Chem 48: 2876-81 (2005) Article DOI: 10.1021/jm0490989 BindingDB Entry DOI: 10.7270/Q2319WP1
Medical University of South Carolina Curated by ChEMBL					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50050098 ((S)-Phenyl-(S)-piperidin-2-yl-acetic acid methyl e...) Show SMILES COC(=O)[C@H]([C@@H]1CCCCN1)c1ccccc1 Show InChI	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of South Carolina Curated by ChEMBL					Assay Description Inhibition of [3H]norepinephrine uptake in HEK293 cells expressing human norepinephrine transporter				J Med Chem 48: 2876-81 (2005) Article DOI: 10.1021/jm0490989 BindingDB Entry DOI: 10.7270/Q2319WP1
Medical University of South Carolina Curated by ChEMBL					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM50050098 ((S)-Phenyl-(S)-piperidin-2-yl-acetic acid methyl e...) Show SMILES COC(=O)[C@H]([C@@H]1CCCCN1)c1ccccc1 Show InChI	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	122	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of South Carolina Curated by ChEMBL					Assay Description Displacement of [125I]-RTI-55 from Dopamine transporter expressed in HEK293 cells				J Med Chem 48: 2876-81 (2005) Article DOI: 10.1021/jm0490989 BindingDB Entry DOI: 10.7270/Q2319WP1
Medical University of South Carolina Curated by ChEMBL					More data for this Ligand-Target Pair