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BDBM50414587 CHEMBL555565

SMILES: O=C(N(C1CCNCC1)c1ccc2[nH]ccc2c1)c1ccccc1

InChI Key: InChIKey=YKTFTKYTVUHUCP-UHFFFAOYSA-N

Data: 3 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50414587   
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 serotonin transporter


(Homo sapiens (Human))
BDBM50414587
PNG
(CHEMBL555565)
Show SMILES O=C(N(C1CCNCC1)c1ccc2[nH]ccc2c1)c1ccccc1
Show InChI InChI=1S/C20H21N3O/c24-20(15-4-2-1-3-5-15)23(17-9-11-21-12-10-17)18-6-7-19-16(14-18)8-13-22-19/h1-8,13-14,17,21-22H,9-12H2
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PC cid
PC sid
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Similars

Article
PubMed
25.1n/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 noradrenaline transporter


(Homo sapiens (Human))
BDBM50414587
PNG
(CHEMBL555565)
Show SMILES O=C(N(C1CCNCC1)c1ccc2[nH]ccc2c1)c1ccccc1
Show InChI InChI=1S/C20H21N3O/c24-20(15-4-2-1-3-5-15)23(17-9-11-21-12-10-17)18-6-7-19-16(14-18)8-13-22-19/h1-8,13-14,17,21-22H,9-12H2
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
794n/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 dopamine transporter


(Homo sapiens (Human))
BDBM50414587
PNG
(CHEMBL555565)
Show SMILES O=C(N(C1CCNCC1)c1ccc2[nH]ccc2c1)c1ccccc1
Show InChI InChI=1S/C20H21N3O/c24-20(15-4-2-1-3-5-15)23(17-9-11-21-12-10-17)18-6-7-19-16(14-18)8-13-22-19/h1-8,13-14,17,21-22H,9-12H2
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.98E+3n/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