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BDBM50026738 CHEMBL3331486

SMILES: Clc1ccc(CN(CC2CNC2)c2ccccc2)cc1

InChI Key: InChIKey=VDBBSSQCQRSAQG-UHFFFAOYSA-N

Data: 3 IC50

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 3 hits for monomerid = 50026738   
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))
BDBM50026738
PNG
(CHEMBL3331486)
Show SMILES Clc1ccc(CN(CC2CNC2)c2ccccc2)cc1
Show InChI InChI=1S/C17H19ClN2/c18-16-8-6-14(7-9-16)12-20(13-15-10-19-11-15)17-4-2-1-3-5-17/h1-9,15,19H,10-13H2
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 29n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of human NET expressed in HEK293 cells at incubated for 15 mins by neurotransmitter reuptake assay


ACS Med Chem Lett 5: 999-1004 (2014)


Article DOI: 10.1021/ml500187a
BindingDB Entry DOI: 10.7270/Q2MW2JRD
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50026738
PNG
(CHEMBL3331486)
Show SMILES Clc1ccc(CN(CC2CNC2)c2ccccc2)cc1
Show InChI InChI=1S/C17H19ClN2/c18-16-8-6-14(7-9-16)12-20(13-15-10-19-11-15)17-4-2-1-3-5-17/h1-9,15,19H,10-13H2
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 15n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of human SERT expressed in HEK293 cells at incubated for 15 mins by neurotransmitter reuptake assay


ACS Med Chem Lett 5: 999-1004 (2014)


Article DOI: 10.1021/ml500187a
BindingDB Entry DOI: 10.7270/Q2MW2JRD
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50026738
PNG
(CHEMBL3331486)
Show SMILES Clc1ccc(CN(CC2CNC2)c2ccccc2)cc1
Show InChI InChI=1S/C17H19ClN2/c18-16-8-6-14(7-9-16)12-20(13-15-10-19-11-15)17-4-2-1-3-5-17/h1-9,15,19H,10-13H2
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 540n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of human DAT expressed in HEK293 cells at incubated for 15 mins by neurotransmitter reuptake assay


ACS Med Chem Lett 5: 999-1004 (2014)


Article DOI: 10.1021/ml500187a
BindingDB Entry DOI: 10.7270/Q2MW2JRD
More data for this
Ligand-Target Pair