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)	Ligand	Target/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	pH	Temp °C
SLC6A4 (MOUSE)	BDBM86422 (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	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	4.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 Structure (crystal)
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM86422 (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	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Univ. 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 (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	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Patents Similars	US Patent	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University					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...				J Med Chem 51: 68-76 (2008) BindingDB Entry DOI: 10.7270/Q2MW2KFS
					More data for this Ligand-Target Pair