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BDBM50453931 CHEMBL4212262

SMILES: Cl.FCCOc1ccc(CCC2CCN(CCc3ccccc3Cl)CC2)cc1

InChI Key: InChIKey=HPDWJASXBDZWKW-UHFFFAOYSA-N

Data: 3 KI  1 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 4 hits for monomerid = 50453931   
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
Synaptic vesicular amine transporter


(Rattus norvegicus (Rat))
BDBM50453931
PNG
(CHEMBL4212262)
Show SMILES Cl.FCCOc1ccc(CCC2CCN(CCc3ccccc3Cl)CC2)cc1
Show InChI InChI=1S/C23H29ClFNO/c24-23-4-2-1-3-21(23)13-17-26-15-11-20(12-16-26)6-5-19-7-9-22(10-8-19)27-18-14-25/h1-4,7-10,20H,5-6,11-18H2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
190n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine uptake at VMAT2 in rat striatal synaptic vesicles by scintillation spectrometry


Bioorg Med Chem Lett 27: 5467-5472 (2017)


Article DOI: 10.1016/j.bmcl.2017.10.039
BindingDB Entry DOI: 10.7270/Q2BP05B5
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50453931
PNG
(CHEMBL4212262)
Show SMILES Cl.FCCOc1ccc(CCC2CCN(CCc3ccccc3Cl)CC2)cc1
Show InChI InChI=1S/C23H29ClFNO/c24-23-4-2-1-3-21(23)13-17-26-15-11-20(12-16-26)6-5-19-7-9-22(10-8-19)27-18-14-25/h1-4,7-10,20H,5-6,11-18H2
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
2.71E+3n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of [3H]dopamine uptake at dopamine transporter in rat striatal synaptosomes preincubated for 5 mins followed by radioligand addition measu...


Bioorg Med Chem Lett 27: 5467-5472 (2017)


Article DOI: 10.1016/j.bmcl.2017.10.039
BindingDB Entry DOI: 10.7270/Q2BP05B5
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50453931
PNG
(CHEMBL4212262)
Show SMILES Cl.FCCOc1ccc(CCC2CCN(CCc3ccccc3Cl)CC2)cc1
Show InChI InChI=1S/C23H29ClFNO/c24-23-4-2-1-3-21(23)13-17-26-15-11-20(12-16-26)6-5-19-7-9-22(10-8-19)27-18-14-25/h1-4,7-10,20H,5-6,11-18H2
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
3.62E+3n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of [3H]serotonin uptake at SERT in rat striatal synaptosomes preincubated for 5 mins followed by radioligand addition measured after 10 mi...


Bioorg Med Chem Lett 27: 5467-5472 (2017)


Article DOI: 10.1016/j.bmcl.2017.10.039
BindingDB Entry DOI: 10.7270/Q2BP05B5
More data for this
Ligand-Target Pair
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50453931
PNG
(CHEMBL4212262)
Show SMILES Cl.FCCOc1ccc(CCC2CCN(CCc3ccccc3Cl)CC2)cc1
Show InChI InChI=1S/C23H29ClFNO/c24-23-4-2-1-3-21(23)13-17-26-15-11-20(12-16-26)6-5-19-7-9-22(10-8-19)27-18-14-25/h1-4,7-10,20H,5-6,11-18H2
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.20E+3n/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Displacement of [3H]Dofetilide from human ERG expressed in HEK293 cells after 60 mins by scintillation spectrometry


Bioorg Med Chem Lett 27: 5467-5472 (2017)


Article DOI: 10.1016/j.bmcl.2017.10.039
BindingDB Entry DOI: 10.7270/Q2BP05B5
More data for this
Ligand-Target Pair