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BDBM86422 CAS_61869-08-7::NSC_43815::PAROXETINE::US9873683, Paroxetine

SMILES: Fc1ccc(cc1)C1CCNCC1COc1ccc2OCOc2c1

InChI Key: InChIKey=AHOUBRCZNHFOSL-UHFFFAOYSA-N

Data: 2 KI  1 IC50

PDB links: 9 PDB IDs match this monomer.

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 = 86422   
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
SLC6A4


(MOUSE)
BDBM86422
PNG
(CAS_61869-08-7 | NSC_43815 | PAROXETINE | US987368...)
Show SMILES Fc1ccc(cc1)C1CCNCC1COc1ccc2OCOc2c1
Show InChI InChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2
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PDB
Article
PubMed
4.70n/an/an/an/an/an/an/an/a



National Institutes of Health

Curated by PDSP Ki Database




J Pharmacol Exp Ther 308: 481-6 (2004)


Article DOI: 10.1124/jpet.103.058636
BindingDB Entry DOI: 10.7270/Q2QZ28J1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM86422
PNG
(CAS_61869-08-7 | NSC_43815 | PAROXETINE | US987368...)
Show SMILES Fc1ccc(cc1)C1CCNCC1COc1ccc2OCOc2c1
Show InChI InChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2
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Article
PubMed
1.00E+3n/an/an/an/an/an/an/an/a



University of Tours

Curated by PDSP Ki Database




J Pharmacol Exp Ther 317: 147-52 (2006)


Article DOI: 10.1124/jpet.105.096792
BindingDB Entry DOI: 10.7270/Q2JW8CFZ
More data for this
Ligand-Target Pair
P2X purinoceptor 4


(Homo sapiens (Human))
BDBM86422
PNG
(CAS_61869-08-7 | NSC_43815 | PAROXETINE | US987368...)
Show SMILES Fc1ccc(cc1)C1CCNCC1COc1ccc2OCOc2c1
Show InChI InChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2
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US Patent
n/an/a 4.00E+3n/an/an/an/an/an/a



Nippon Chemiphar Co., Ltd

US Patent


Assay Description
The 1321N1 cells stably expressing human P2X4 receptor were seeded on a 96-well plate, cultured under the conditions of 37 C. and 5% CO2 for 24 hour...


US Patent US9873683 (2018)


BindingDB Entry DOI: 10.7270/Q2MW2KFS
More data for this
Ligand-Target Pair