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BDBM50414595 CHEMBL550932

SMILES: CNCCN(c1ccccc1)c1ccc2[nH]ccc2c1

InChI Key: InChIKey=RIMYGAIUGCFOTN-UHFFFAOYSA-N

Data: 3 KI

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50414595   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50414595
PNG
(CHEMBL550932)
Show SMILES CNCCN(c1ccccc1)c1ccc2[nH]ccc2c1
Show InChI InChI=1S/C17H19N3/c1-18-11-12-20(15-5-3-2-4-6-15)16-7-8-17-14(13-16)9-10-19-17/h2-10,13,18-19H,11-12H2,1H3
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PC cid
PC sid
UniChem
Article
PubMed
200n/an/an/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Inhibition of NET


Bioorg Med Chem Lett 19: 4630-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.076
BindingDB Entry DOI: 10.7270/Q2WH2R7V
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50414595
PNG
(CHEMBL550932)
Show SMILES CNCCN(c1ccccc1)c1ccc2[nH]ccc2c1
Show InChI InChI=1S/C17H19N3/c1-18-11-12-20(15-5-3-2-4-6-15)16-7-8-17-14(13-16)9-10-19-17/h2-10,13,18-19H,11-12H2,1H3
PDB

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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
398n/an/an/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Inhibition of SERT


Bioorg Med Chem Lett 19: 4630-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.076
BindingDB Entry DOI: 10.7270/Q2WH2R7V
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50414595
PNG
(CHEMBL550932)
Show SMILES CNCCN(c1ccccc1)c1ccc2[nH]ccc2c1
Show InChI InChI=1S/C17H19N3/c1-18-11-12-20(15-5-3-2-4-6-15)16-7-8-17-14(13-16)9-10-19-17/h2-10,13,18-19H,11-12H2,1H3
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
501n/an/an/an/an/an/an/an/a



Roche Palo Alto LLC

Curated by ChEMBL


Assay Description
Inhibition of DAT


Bioorg Med Chem Lett 19: 4630-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.076
BindingDB Entry DOI: 10.7270/Q2WH2R7V
More data for this
Ligand-Target Pair