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BDBM50297420 (Z)-N-Methyl-2-(naphthalen-1-yloxy)-2-(thiophen-2-yl)cyclopropyl)methanamine Hydrochloride::CHEMBL553224::N-methyl-1-((1S,2S)-2-(naphthalen-1-yloxy)-2-(thiophen-2-yl)cyclopropyl)methanamine hydrochloride

SMILES: CNC[C@@H]1C[C@@]1(Oc1cccc2ccccc12)c1cccs1

InChI Key: InChIKey=YFHROOMCIQOYDA-KXBFYZLASA-N

Data: 6 KI

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 6 hits for monomerid = 50297420   
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
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50297420
PNG
((Z)-N-Methyl-2-(naphthalen-1-yloxy)-2-(thiophen-2-...)
Show SMILES CNC[C@@H]1C[C@@]1(Oc1cccc2ccccc12)c1cccs1 |r|
Show InChI InChI=1S/C19H19NOS/c1-20-13-15-12-19(15,18-10-5-11-22-18)21-17-9-4-7-14-6-2-3-8-16(14)17/h2-11,15,20H,12-13H2,1H3/t15-,19-/m0/s1
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1.19n/an/an/an/an/an/an/an/a



Oregon State University

Curated by ChEMBL


Assay Description
Inhibition of [3H]norepinephrine reuptake at norepinephrine transporter


J Med Chem 52: 5872-9 (2009)


Article DOI: 10.1021/jm900847b
BindingDB Entry DOI: 10.7270/Q26Q1XBR
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50297420
PNG
((Z)-N-Methyl-2-(naphthalen-1-yloxy)-2-(thiophen-2-...)
Show SMILES CNC[C@@H]1C[C@@]1(Oc1cccc2ccccc12)c1cccs1 |r|
Show InChI InChI=1S/C19H19NOS/c1-20-13-15-12-19(15,18-10-5-11-22-18)21-17-9-4-7-14-6-2-3-8-16(14)17/h2-11,15,20H,12-13H2,1H3/t15-,19-/m0/s1
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2.01n/an/an/an/an/an/an/an/a



Oregon State University

Curated by ChEMBL


Assay Description
Inhibition of [3H]serotonin reuptake at serotonin transporter


J Med Chem 52: 5872-9 (2009)


Article DOI: 10.1021/jm900847b
BindingDB Entry DOI: 10.7270/Q26Q1XBR
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50297420
PNG
((Z)-N-Methyl-2-(naphthalen-1-yloxy)-2-(thiophen-2-...)
Show SMILES CNC[C@@H]1C[C@@]1(Oc1cccc2ccccc12)c1cccs1 |r|
Show InChI InChI=1S/C19H19NOS/c1-20-13-15-12-19(15,18-10-5-11-22-18)21-17-9-4-7-14-6-2-3-8-16(14)17/h2-11,15,20H,12-13H2,1H3/t15-,19-/m0/s1
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2.10n/an/an/an/an/an/an/an/a



Oregon State University

Curated by ChEMBL


Assay Description
Inhibition of [3H]serotonin reuptake at serotonin transporter


J Med Chem 52: 5872-9 (2009)


Article DOI: 10.1021/jm900847b
BindingDB Entry DOI: 10.7270/Q26Q1XBR
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50297420
PNG
((Z)-N-Methyl-2-(naphthalen-1-yloxy)-2-(thiophen-2-...)
Show SMILES CNC[C@@H]1C[C@@]1(Oc1cccc2ccccc12)c1cccs1 |r|
Show InChI InChI=1S/C19H19NOS/c1-20-13-15-12-19(15,18-10-5-11-22-18)21-17-9-4-7-14-6-2-3-8-16(14)17/h2-11,15,20H,12-13H2,1H3/t15-,19-/m0/s1
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4.16n/an/an/an/an/an/an/an/a



Oregon State University

Curated by ChEMBL


Assay Description
Inhibition of [3H]norepinephrine reuptake at norepinephrine transporter


J Med Chem 52: 5872-9 (2009)


Article DOI: 10.1021/jm900847b
BindingDB Entry DOI: 10.7270/Q26Q1XBR
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50297420
PNG
((Z)-N-Methyl-2-(naphthalen-1-yloxy)-2-(thiophen-2-...)
Show SMILES CNC[C@@H]1C[C@@]1(Oc1cccc2ccccc12)c1cccs1 |r|
Show InChI InChI=1S/C19H19NOS/c1-20-13-15-12-19(15,18-10-5-11-22-18)21-17-9-4-7-14-6-2-3-8-16(14)17/h2-11,15,20H,12-13H2,1H3/t15-,19-/m0/s1
NCI pathway
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223n/an/an/an/an/an/an/an/a



Oregon State University

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine reuptake at dopamine transporter


J Med Chem 52: 5872-9 (2009)


Article DOI: 10.1021/jm900847b
BindingDB Entry DOI: 10.7270/Q26Q1XBR
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50297420
PNG
((Z)-N-Methyl-2-(naphthalen-1-yloxy)-2-(thiophen-2-...)
Show SMILES CNC[C@@H]1C[C@@]1(Oc1cccc2ccccc12)c1cccs1 |r|
Show InChI InChI=1S/C19H19NOS/c1-20-13-15-12-19(15,18-10-5-11-22-18)21-17-9-4-7-14-6-2-3-8-16(14)17/h2-11,15,20H,12-13H2,1H3/t15-,19-/m0/s1
NCI pathway
Reactome pathway
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283n/an/an/an/an/an/an/an/a



Oregon State University

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine reuptake at dopamine transporter


J Med Chem 52: 5872-9 (2009)


Article DOI: 10.1021/jm900847b
BindingDB Entry DOI: 10.7270/Q26Q1XBR
More data for this
Ligand-Target Pair