BindingDB PrimarySearch

null

SMILES: CN[C@@H](C)Cc1ccccc1

InChI Key: InChIKey=MYWUZJCMWCOHBA-VIFPVBQESA-N

PDB links: 5 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 19 hits for monomerid = 50359499
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
Synaptic vesicular amine transporter (Rattus norvegicus (Rat))	BDBM50359499 ((S)Methamphetamine \| METHAMPHETAMINE) Show SMILES CN[C@@H](C)Cc1ccccc1 \|r\| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2.46E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Inhibition of VMAT2-mediated [3H]DA uptake in rat brain synaptic vesicles by liquid scintillation spectrometry				Bioorg Med Chem Lett 25: 2613-6 (2015) Article DOI: 10.1016/j.bmcl.2015.04.105 BindingDB Entry DOI: 10.7270/Q22V2HV1
University of Kentucky Curated by ChEMBL					More data for this Ligand-Target Pair
Trace amine-associated receptor 1 (Rattus norvegicus (Rat))	BDBM50359499 ((S)Methamphetamine \| METHAMPHETAMINE) Show SMILES CN[C@@H](C)Cc1ccccc1 \|r\| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	2.04E+3	n/a	n/a	n/a	n/a
Oregon Health & Science University Curated by ChEMBL					Assay Description Activation of rat TAAR1 transmembrane domain 6 Met268(6.55)Thr mutant expressed in HEK293 cells assessed as stimulation of cAMP production after 1 hr...				J Med Chem 57: 378-90 (2014) Article DOI: 10.1021/jm401316v BindingDB Entry DOI: 10.7270/Q2BC42HK
Oregon Health & Science University Curated by ChEMBL					More data for this Ligand-Target Pair
Trace amine-associated receptor 1 (Homo sapiens (Human))	BDBM50359499 ((S)Methamphetamine \| METHAMPHETAMINE) Show SMILES CN[C@@H](C)Cc1ccccc1 \|r\| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Activation of C-terminal HA epitope tagged human TAAR1 expressed in RD-HGA16 cells co-expressing Gq protein, Galpha16 by cAMP accumulation assay				Bioorg Med Chem 19: 7044-8 (2011) Article DOI: 10.1016/j.bmc.2011.10.007 BindingDB Entry DOI: 10.7270/Q2765FR0
Research Triangle Institute Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Trace amine-associated receptor 1 (Macaca mulatta)	BDBM50359499 ((S)Methamphetamine \| METHAMPHETAMINE) Show SMILES CN[C@@H](C)Cc1ccccc1 \|r\| Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	5.30E+3	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Activation of rhesus monkey TAAR1 expressed in RD-HGA16 cells co-expressing Gq protein assessed as cAMP accumulation by fluorescence plate reader				Bioorg Med Chem 19: 7044-8 (2011) Article DOI: 10.1016/j.bmc.2011.10.007 BindingDB Entry DOI: 10.7270/Q2765FR0
Research Triangle Institute Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Trace amine-associated receptor 1 (Rattus norvegicus (Rat))	BDBM50359499 ((S)Methamphetamine \| METHAMPHETAMINE) Show SMILES CN[C@@H](C)Cc1ccccc1 \|r\| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	890	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Activation of rat TAAR1 expressed in HEK293 cells assessed as accumulation of [3H]cAMP after 1 hr by liquid scintillation counting				Bioorg Med Chem 19: 7044-8 (2011) Article DOI: 10.1016/j.bmc.2011.10.007 BindingDB Entry DOI: 10.7270/Q2765FR0
Research Triangle Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Trace amine-associated receptor 1 (Mus musculus (Mouse))	BDBM50359499 ((S)Methamphetamine \| METHAMPHETAMINE) Show SMILES CN[C@@H](C)Cc1ccccc1 \|r\| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	920	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Activation of mouse TAAR1 expressed in human HEK293 cells assessed as accumulation of [3H]cAMP after 1 hr by liquid scintillation counting				Bioorg Med Chem 19: 7044-8 (2011) Article DOI: 10.1016/j.bmc.2011.10.007 BindingDB Entry DOI: 10.7270/Q2765FR0
Research Triangle Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Trace amine-associated receptor 1 (Mus musculus (Mouse))	BDBM50359499 ((S)Methamphetamine \| METHAMPHETAMINE) Show SMILES CN[C@@H](C)Cc1ccccc1 \|r\| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	70	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Activation of mouse TAAR1 expressed in human HEK293 cells assessed as accumulation of cAMP after 15 mins				Bioorg Med Chem 19: 7044-8 (2011) Article DOI: 10.1016/j.bmc.2011.10.007 BindingDB Entry DOI: 10.7270/Q2765FR0
Research Triangle Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Trace amine-associated receptor 1 (Homo sapiens (Human))	BDBM50359499 ((S)Methamphetamine \| METHAMPHETAMINE) Show SMILES CN[C@@H](C)Cc1ccccc1 \|r\| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Activation of human TAAR1 expressed in human HEK293T cells assessed as cAMP accumulation after 10 mins by BRET assay				Bioorg Med Chem 19: 7044-8 (2011) Article DOI: 10.1016/j.bmc.2011.10.007 BindingDB Entry DOI: 10.7270/Q2765FR0
Research Triangle Institute Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50359499 ((S)Methamphetamine \| METHAMPHETAMINE) Show SMILES CN[C@@H](C)Cc1ccccc1 \|r\| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	8.32E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Binding affinity towards sigma opioid receptor in guinea pig cerebral homogenate using [3H]DTG as radioligand				J Med Chem 34: 1094-8 (1991) BindingDB Entry DOI: 10.7270/Q28C9WV8
Virginia Commonwealth University Curated by ChEMBL					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Rattus norvegicus (rat))	BDBM50359499 ((S)Methamphetamine \| METHAMPHETAMINE) Show SMILES CN[C@@H](C)Cc1ccccc1 \|r\| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	2.70E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Syntex Research Curated by ChEMBL					Assay Description Competitive inhibition of Rat liver Monoamine Oxidase B at 37 degree C (pH= 7.4)				J Med Chem 31: 1558-66 (1988) BindingDB Entry DOI: 10.7270/Q21J9BCX
Syntex Research Curated by ChEMBL					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] B (Bos taurus)	BDBM50359499 ((S)Methamphetamine \| METHAMPHETAMINE) Show SMILES CN[C@@H](C)Cc1ccccc1 \|r\| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	5.50E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Syntex Research Curated by ChEMBL					Assay Description Inhibitory activity against Monoamine Oxidase B of Bovine liver in competitive inhibition assay at 25 degree C (pH=7.4)				J Med Chem 31: 1558-66 (1988) BindingDB Entry DOI: 10.7270/Q21J9BCX
Syntex Research Curated by ChEMBL					More data for this Ligand-Target Pair
Synaptic vesicular amine transporter (Rattus norvegicus (Rat))	BDBM50359499 ((S)Methamphetamine \| METHAMPHETAMINE) Show SMILES CN[C@@H](C)Cc1ccccc1 \|r\| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2.46E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Inhibition of VMAT2-mediated [3H]-dopamine uptake in rat striata isolated synaptic vesicles by liquid scintillation spectroscopy				Bioorg Med Chem 21: 6771-7 (2013) Article DOI: 10.1016/j.bmc.2013.08.001 BindingDB Entry DOI: 10.7270/Q23X883J
University of Kentucky Curated by ChEMBL					More data for this Ligand-Target Pair
Solute carrier family 22 member 3 (Rattus norvegicus)	BDBM50359499 ((S)Methamphetamine \| METHAMPHETAMINE) Show SMILES CN[C@@H](C)Cc1ccccc1 \|r\| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.48E+5	n/a	n/a	n/a	n/a	n/a	n/a
Medical College of Georgia Curated by ChEMBL					Assay Description TP_TRANSPORTER: inhibition of MPP+ uptake (MPP+: 1 uM) in OCT3-expressing HRPE cells				J Biol Chem 273: 32776-86 (1998) Article DOI: 10.1074/jbc.273.49.32776 BindingDB Entry DOI: 10.7270/Q2ZK5KHT
Medical College of Georgia Curated by ChEMBL					More data for this Ligand-Target Pair
Trace amine-associated receptor 1 (Rattus norvegicus (Rat))	BDBM50359499 ((S)Methamphetamine \| METHAMPHETAMINE) Show SMILES CN[C@@H](C)Cc1ccccc1 \|r\| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	202	n/a	n/a	n/a	n/a
Oregon Health & Science University Curated by ChEMBL					Assay Description Activation of rat TAAR1 transmembrane domain 7 Asn287(7.39)Tyr mutant expressed in HEK293 cells assessed as stimulation of cAMP production after 1 hr...				J Med Chem 57: 378-90 (2014) Article DOI: 10.1021/jm401316v BindingDB Entry DOI: 10.7270/Q2BC42HK
Oregon Health & Science University Curated by ChEMBL					More data for this Ligand-Target Pair
Trace amine-associated receptor 1 (Mus musculus (Mouse))	BDBM50359499 ((S)Methamphetamine \| METHAMPHETAMINE) Show SMILES CN[C@@H](C)Cc1ccccc1 \|r\| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	18	n/a	n/a	n/a	n/a
Oregon Health & Science University Curated by ChEMBL					Assay Description Activation of mouse TAAR1 transmembrane domain 6 Thr268(6.55)Met mutant expressed in HEK293 cells assessed as stimulation of cAMP production after 1 ...				J Med Chem 57: 378-90 (2014) Article DOI: 10.1021/jm401316v BindingDB Entry DOI: 10.7270/Q2BC42HK
Oregon Health & Science University Curated by ChEMBL					More data for this Ligand-Target Pair
Trace amine-associated receptor 1 (Mus musculus (Mouse))	BDBM50359499 ((S)Methamphetamine \| METHAMPHETAMINE) Show SMILES CN[C@@H](C)Cc1ccccc1 \|r\| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	279	n/a	n/a	n/a	n/a
Oregon Health & Science University Curated by ChEMBL					Assay Description Activation of mouse wild type TAAR1 expressed in HEK293 cells assessed as stimulation of cAMP production after 1 hr by chemiluminescent assay				J Med Chem 57: 378-90 (2014) Article DOI: 10.1021/jm401316v BindingDB Entry DOI: 10.7270/Q2BC42HK
Oregon Health & Science University Curated by ChEMBL					More data for this Ligand-Target Pair
Trace amine-associated receptor 1 (Rattus norvegicus (Rat))	BDBM50359499 ((S)Methamphetamine \| METHAMPHETAMINE) Show SMILES CN[C@@H](C)Cc1ccccc1 \|r\| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	133	n/a	n/a	n/a	n/a
Oregon Health & Science University Curated by ChEMBL					Assay Description Activation of rat wild type TAAR1 expressed in HEK293 cells assessed as stimulation of cAMP production after 1 hr by chemiluminescent assay				J Med Chem 57: 378-90 (2014) Article DOI: 10.1021/jm401316v BindingDB Entry DOI: 10.7270/Q2BC42HK
Oregon Health & Science University Curated by ChEMBL					More data for this Ligand-Target Pair
Trace amine-associated receptor 1 (Mus musculus (Mouse))	BDBM50359499 ((S)Methamphetamine \| METHAMPHETAMINE) Show SMILES CN[C@@H](C)Cc1ccccc1 \|r\| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.82E+3	n/a	n/a	n/a	n/a
Oregon Health & Science University Curated by ChEMBL					Assay Description Activation of mouse TAAR1 transmembrane domain 7 Tyr287(7.39)Asn mutant expressed in HEK293 cells assessed as stimulation of cAMP production after 1 ...				J Med Chem 57: 378-90 (2014) Article DOI: 10.1021/jm401316v BindingDB Entry DOI: 10.7270/Q2BC42HK
Oregon Health & Science University Curated by ChEMBL					More data for this Ligand-Target Pair
Synaptic vesicular amine transporter (Rattus norvegicus (Rat))	BDBM50359499 ((S)Methamphetamine \| METHAMPHETAMINE) Show SMILES CN[C@@H](C)Cc1ccccc1 \|r\| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	8.01E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Displacement of [3H]DTBZ from VMAT2 in rat whole brain by liquid scintillation spectrometry				Bioorg Med Chem Lett 25: 2613-6 (2015) Article DOI: 10.1016/j.bmcl.2015.04.105 BindingDB Entry DOI: 10.7270/Q22V2HV1
University of Kentucky Curated by ChEMBL					More data for this Ligand-Target Pair