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BDBM50373250 CHEMBL427904

SMILES: CCN(CC=C)C(=O)[C@]1(C[C@H]1CN)c1ccc2OCCOc2c1

InChI Key: InChIKey=HKERIGVYOINJIO-KBXCAEBGSA-N

Data: 3 IC50

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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 = 50373250   
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))
BDBM50373250
PNG
(CHEMBL427904)
Show SMILES CCN(CC=C)C(=O)[C@]1(C[C@H]1CN)c1ccc2OCCOc2c1
Show InChI InChI=1S/C18H24N2O3/c1-3-7-20(4-2)17(21)18(11-14(18)12-19)13-5-6-15-16(10-13)23-9-8-22-15/h3,5-6,10,14H,1,4,7-9,11-12,19H2,2H3/t14-,18+/m0/s1
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 2.90n/an/an/an/an/an/a



Neurocrine Bioscience, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human NET


Bioorg Med Chem Lett 18: 3328-32 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.025
BindingDB Entry DOI: 10.7270/Q21V5FTK
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50373250
PNG
(CHEMBL427904)
Show SMILES CCN(CC=C)C(=O)[C@]1(C[C@H]1CN)c1ccc2OCCOc2c1
Show InChI InChI=1S/C18H24N2O3/c1-3-7-20(4-2)17(21)18(11-14(18)12-19)13-5-6-15-16(10-13)23-9-8-22-15/h3,5-6,10,14H,1,4,7-9,11-12,19H2,2H3/t14-,18+/m0/s1
NCI pathway
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KEGG

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DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Neurocrine Bioscience, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DAT


Bioorg Med Chem Lett 18: 3328-32 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.025
BindingDB Entry DOI: 10.7270/Q21V5FTK
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50373250
PNG
(CHEMBL427904)
Show SMILES CCN(CC=C)C(=O)[C@]1(C[C@H]1CN)c1ccc2OCCOc2c1
Show InChI InChI=1S/C18H24N2O3/c1-3-7-20(4-2)17(21)18(11-14(18)12-19)13-5-6-15-16(10-13)23-9-8-22-15/h3,5-6,10,14H,1,4,7-9,11-12,19H2,2H3/t14-,18+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 65n/an/an/an/an/an/a



Neurocrine Bioscience, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human SERT


Bioorg Med Chem Lett 18: 3328-32 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.025
BindingDB Entry DOI: 10.7270/Q21V5FTK
More data for this
Ligand-Target Pair