BindingDB logo
myBDB logout

BDBM50359499 (S)Methamphetamine::METHAMPHETAMINE

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

InChI Key: InChIKey=MYWUZJCMWCOHBA-VIFPVBQESA-N

Data: 6 KI  6 EC50

PDB links: 3 PDB IDs match this monomer.

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 12 hits for monomerid = 50359499   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Vesicular monoamine transporter 2 (VMAT2)


(Rattus norvegicus (Rat))
BDBM50359499
PNG
((S)Methamphetamine | METHAMPHETAMINE)
Show SMILES CN[C@@H](C)Cc1ccccc1
Show InChI InChI=1S/C10H15N/c1-9(11-2)8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3/t9-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
2.46E+3n/an/an/an/an/an/an/an/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
More data for this
Ligand-Target Pair
Vesicular monoamine transporter 2 (VMAT2)


(Rattus norvegicus (Rat))
BDBM50359499
PNG
((S)Methamphetamine | METHAMPHETAMINE)
Show SMILES CN[C@@H](C)Cc1ccccc1
Show InChI InChI=1S/C10H15N/c1-9(11-2)8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3/t9-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
2.46E+3n/an/an/an/an/an/an/an/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
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(HUMAN)
BDBM50359499
PNG
((S)Methamphetamine | METHAMPHETAMINE)
Show SMILES CN[C@@H](C)Cc1ccccc1
Show InChI InChI=1S/C10H15N/c1-9(11-2)8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3/t9-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
8.32E+3n/an/an/an/an/an/an/an/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)


Article DOI: 10.1021/jm00107a033
BindingDB Entry DOI: 10.7270/Q28C9WV8
More data for this
Ligand-Target Pair
Vesicular monoamine transporter 2 (VMAT2)


(Rattus norvegicus (Rat))
BDBM50359499
PNG
((S)Methamphetamine | METHAMPHETAMINE)
Show SMILES CN[C@@H](C)Cc1ccccc1
Show InChI InChI=1S/C10H15N/c1-9(11-2)8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3/t9-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
8.01E+4n/an/an/an/an/an/an/an/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
More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50359499
PNG
((S)Methamphetamine | METHAMPHETAMINE)
Show SMILES CN[C@@H](C)Cc1ccccc1
Show InChI InChI=1S/C10H15N/c1-9(11-2)8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3/t9-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
2.70E+5n/an/an/an/an/an/an/an/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)


Article DOI: 10.1021/jm00403a012
BindingDB Entry DOI: 10.7270/Q21J9BCX
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50359499
PNG
((S)Methamphetamine | METHAMPHETAMINE)
Show SMILES CN[C@@H](C)Cc1ccccc1
Show InChI InChI=1S/C10H15N/c1-9(11-2)8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3/t9-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
5.50E+5n/an/an/an/an/an/an/an/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)


Article DOI: 10.1021/jm00403a012
BindingDB Entry DOI: 10.7270/Q21J9BCX
More data for this
Ligand-Target Pair
trace amine-associated receptor 1


(Homo sapiens)
BDBM50359499
PNG
((S)Methamphetamine | METHAMPHETAMINE)
Show SMILES CN[C@@H](C)Cc1ccccc1
Show InChI InChI=1S/C10H15N/c1-9(11-2)8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3/t9-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

DrugBank
Article
PubMed
n/an/an/an/a 1.30E+3n/an/an/an/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
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Mus musculus (Mouse))
BDBM50359499
PNG
((S)Methamphetamine | METHAMPHETAMINE)
Show SMILES CN[C@@H](C)Cc1ccccc1
Show InChI InChI=1S/C10H15N/c1-9(11-2)8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3/t9-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 70n/an/an/an/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
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Rattus norvegicus (Rat))
BDBM50359499
PNG
((S)Methamphetamine | METHAMPHETAMINE)
Show SMILES CN[C@@H](C)Cc1ccccc1
Show InChI InChI=1S/C10H15N/c1-9(11-2)8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3/t9-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 890n/an/an/an/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
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1


(Macaca mulatta)
BDBM50359499
PNG
((S)Methamphetamine | METHAMPHETAMINE)
Show SMILES CN[C@@H](C)Cc1ccccc1
Show InChI InChI=1S/C10H15N/c1-9(11-2)8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3/t9-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 5.30E+3n/an/an/an/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
More data for this
Ligand-Target Pair
trace amine-associated receptor 1


(Homo sapiens)
BDBM50359499
PNG
((S)Methamphetamine | METHAMPHETAMINE)
Show SMILES CN[C@@H](C)Cc1ccccc1
Show InChI InChI=1S/C10H15N/c1-9(11-2)8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3/t9-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

DrugBank
Article
PubMed
n/an/an/an/a 1.50E+3n/an/an/an/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
More data for this
Ligand-Target Pair
Trace amine-associated receptor 1 (TAAR1)


(Mus musculus (Mouse))
BDBM50359499
PNG
((S)Methamphetamine | METHAMPHETAMINE)
Show SMILES CN[C@@H](C)Cc1ccccc1
Show InChI InChI=1S/C10H15N/c1-9(11-2)8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3/t9-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 920n/an/an/an/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
More data for this
Ligand-Target Pair