BindingDB logo
myBDB logout

PubMed code 18387300

Compile data set for download or QSAR
Found 90 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50124566
PNG
((R)-2-((R)-(2-ethoxyphenoxy)(phenyl)methyl)morphol...)
Show SMILES CCOc1ccccc1OC(C1CNCCO1)c1ccccc1
Show InChI InChI=1/C19H23NO3/c1-2-21-16-10-6-7-11-17(16)23-19(15-8-4-3-5-9-15)18-14-20-12-13-22-18/h3-11,18-20H,2,12-14H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
5n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2562-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.050
BindingDB Entry DOI: 10.7270/Q2Z036RS
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50136680
PNG
(CHEMBL424660 | N-methyl-3-(1-naphthyloxy)-3-(2-thi...)
Show SMILES CNCCC(Oc1cccc2ccccc12)c1cccs1
Show InChI InChI=1/C18H19NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
Purchase

CHEBI
CHEMBL
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
5n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2562-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.050
BindingDB Entry DOI: 10.7270/Q2Z036RS
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM87043
PNG
((R)-2-((R)-(4-fluoro-2-methoxyphenoxy)(phenyl)meth...)
Show SMILES COc1cc(F)ccc1OC(C1CNCCO1)c1ccccc1
Show InChI InChI=1/C18H20FNO3/c1-21-16-11-14(19)7-8-15(16)23-18(13-5-3-2-4-6-13)17-12-20-9-10-22-17/h2-8,11,17-18,20H,9-10,12H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
6n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2562-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.050
BindingDB Entry DOI: 10.7270/Q2Z036RS
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM87036
PNG
((R)-2-((R)-(4-chloro-2-methoxyphenoxy)(phenyl)meth...)
Show SMILES COc1cc(Cl)ccc1OC(C1CNCCO1)c1ccccc1
Show InChI InChI=1/C18H20ClNO3/c1-21-16-11-14(19)7-8-15(16)23-18(13-5-3-2-4-6-13)17-12-20-9-10-22-17/h2-8,11,17-18,20H,9-10,12H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
8n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2562-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.050
BindingDB Entry DOI: 10.7270/Q2Z036RS
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM87037
PNG
((S)-2-((S)-(4-chloro-2-methoxyphenoxy)(3-fluorophe...)
Show SMILES COc1cc(Cl)ccc1OC(C1CNCCO1)c1cccc(F)c1
Show InChI InChI=1/C18H19ClFNO3/c1-22-16-10-13(19)5-6-15(16)24-18(17-11-21-7-8-23-17)12-3-2-4-14(20)9-12/h2-6,9-10,17-18,21H,7-8,11H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
9n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2562-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.050
BindingDB Entry DOI: 10.7270/Q2Z036RS
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM87024
PNG
((R)-2-((R)-(4-fluoro-2-methylphenoxy)(phenyl)methy...)
Show SMILES Cc1cc(F)ccc1OC(C1CNCCO1)c1ccccc1
Show InChI InChI=1/C18H20FNO2/c1-13-11-15(19)7-8-16(13)22-18(14-5-3-2-4-6-14)17-12-20-9-10-21-17/h2-8,11,17-18,20H,9-10,12H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
10n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2562-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.050
BindingDB Entry DOI: 10.7270/Q2Z036RS
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM87027
PNG
((R)-2-((R)-(2,3-difluorophenoxy)(phenyl)methyl)mor...)
Show SMILES Fc1cccc(OC(C2CNCCO2)c2ccccc2)c1F
Show InChI InChI=1/C17H17F2NO2/c18-13-7-4-8-14(16(13)19)22-17(12-5-2-1-3-6-12)15-11-20-9-10-21-15/h1-8,15,17,20H,9-11H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
10n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2562-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.050
BindingDB Entry DOI: 10.7270/Q2Z036RS
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM87032
PNG
((R)-2-((R)-(2-chloro-4-fluorophenoxy)(phenyl)methy...)
Show SMILES Fc1ccc(OC(C2CNCCO2)c2ccccc2)c(Cl)c1
Show InChI InChI=1/C17H17ClFNO2/c18-14-10-13(19)6-7-15(14)22-17(12-4-2-1-3-5-12)16-11-20-8-9-21-16/h1-7,10,16-17,20H,8-9,11H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
10n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2562-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.050
BindingDB Entry DOI: 10.7270/Q2Z036RS
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM87027
PNG
((R)-2-((R)-(2,3-difluorophenoxy)(phenyl)methyl)mor...)
Show SMILES Fc1cccc(OC(C2CNCCO2)c2ccccc2)c1F
Show InChI InChI=1/C17H17F2NO2/c18-13-7-4-8-14(16(13)19)22-17(12-5-2-1-3-6-12)15-11-20-9-10-21-15/h1-8,15,17,20H,9-11H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
10n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2562-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.050
BindingDB Entry DOI: 10.7270/Q2Z036RS
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM87043
PNG
((R)-2-((R)-(4-fluoro-2-methoxyphenoxy)(phenyl)meth...)
Show SMILES COc1cc(F)ccc1OC(C1CNCCO1)c1ccccc1
Show InChI InChI=1/C18H20FNO3/c1-21-16-11-14(19)7-8-15(16)23-18(13-5-3-2-4-6-13)17-12-20-9-10-22-17/h2-8,11,17-18,20H,9-10,12H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
10n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2562-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.050
BindingDB Entry DOI: 10.7270/Q2Z036RS
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM87025
PNG
((R)-2-((R)-(2,3-dihydrobenzofuran-7-yloxy)(phenyl)...)
Show SMILES C1Cc2cccc(OC(C3CNCCO3)c3ccccc3)c2O1
Show InChI InChI=1/C19H21NO3/c1-2-5-14(6-3-1)19(17-13-20-10-12-21-17)23-16-8-4-7-15-9-11-22-18(15)16/h1-8,17,19-20H,9-13H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
10n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2562-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.050
BindingDB Entry DOI: 10.7270/Q2Z036RS
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM87036
PNG
((R)-2-((R)-(4-chloro-2-methoxyphenoxy)(phenyl)meth...)
Show SMILES COc1cc(Cl)ccc1OC(C1CNCCO1)c1ccccc1
Show InChI InChI=1/C18H20ClNO3/c1-21-16-11-14(19)7-8-15(16)23-18(13-5-3-2-4-6-13)17-12-20-9-10-22-17/h2-8,11,17-18,20H,9-10,12H2,1H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
11n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2562-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.050
BindingDB Entry DOI: 10.7270/Q2Z036RS
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM87028
PNG
((S)-2-((S)-(4-bromo-2-methoxyphenoxy)(phenyl)methy...)
Show SMILES COc1cc(Br)ccc1OC(C1CNCCO1)c1ccccc1
Show InChI InChI=1/C18H20BrNO3/c1-21-16-11-14(19)7-8-15(16)23-18(13-5-3-2-4-6-13)17-12-20-9-10-22-17/h2-8,11,17-18,20H,9-10,12H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
12n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2562-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.050
BindingDB Entry DOI: 10.7270/Q2Z036RS
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM87032
PNG
((R)-2-((R)-(2-chloro-4-fluorophenoxy)(phenyl)methy...)
Show SMILES Fc1ccc(OC(C2CNCCO2)c2ccccc2)c(Cl)c1
Show InChI InChI=1/C17H17ClFNO2/c18-14-10-13(19)6-7-15(14)22-17(12-4-2-1-3-5-12)16-11-20-8-9-21-16/h1-7,10,16-17,20H,8-9,11H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
12n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2562-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.050
BindingDB Entry DOI: 10.7270/Q2Z036RS
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM87025
PNG
((R)-2-((R)-(2,3-dihydrobenzofuran-7-yloxy)(phenyl)...)
Show SMILES C1Cc2cccc(OC(C3CNCCO3)c3ccccc3)c2O1
Show InChI InChI=1/C19H21NO3/c1-2-5-14(6-3-1)19(17-13-20-10-12-21-17)23-16-8-4-7-15-9-11-22-18(15)16/h1-8,17,19-20H,9-13H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
12n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2562-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.050
BindingDB Entry DOI: 10.7270/Q2Z036RS
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM87030
PNG
(CAS_44449911 | NSC_44449911 | rac-syn-2-((4-chloro...)
Show SMILES CCOc1cc(Cl)ccc1OC(C1CNCCO1)c1ccccc1
Show InChI InChI=1/C19H22ClNO3/c1-2-22-17-12-15(20)8-9-16(17)24-19(14-6-4-3-5-7-14)18-13-21-10-11-23-18/h3-9,12,18-19,21H,2,10-11,13H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

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



Pfizer Global Research and Development

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2562-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.050
BindingDB Entry DOI: 10.7270/Q2Z036RS
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM87038
PNG
((S)-2-((S)-(4-chloro-2-methoxyphenoxy)(m-tolyl)met...)
Show SMILES COc1cc(Cl)ccc1OC(C1CNCCO1)c1cccc(C)c1
Show InChI InChI=1/C19H22ClNO3/c1-13-4-3-5-14(10-13)19(18-12-21-8-9-23-18)24-16-7-6-15(20)11-17(16)22-2/h3-7,10-11,18-19,21H,8-9,12H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
16n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2562-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.050
BindingDB Entry DOI: 10.7270/Q2Z036RS
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM87029
PNG
((S)-2-((S)-(2,3-dichlorophenoxy)(phenyl)methyl)mor...)
Show SMILES Clc1cccc(OC(C2CNCCO2)c2ccccc2)c1Cl
Show InChI InChI=1/C17H17Cl2NO2/c18-13-7-4-8-14(16(13)19)22-17(12-5-2-1-3-6-12)15-11-20-9-10-21-15/h1-8,15,17,20H,9-11H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
17n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2562-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.050
BindingDB Entry DOI: 10.7270/Q2Z036RS
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM87024
PNG
((R)-2-((R)-(4-fluoro-2-methylphenoxy)(phenyl)methy...)
Show SMILES Cc1cc(F)ccc1OC(C1CNCCO1)c1ccccc1
Show InChI InChI=1/C18H20FNO2/c1-13-11-15(19)7-8-16(13)22-18(14-5-3-2-4-6-14)17-12-20-9-10-21-17/h2-8,11,17-18,20H,9-10,12H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
18n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2562-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.050
BindingDB Entry DOI: 10.7270/Q2Z036RS
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM87032
PNG
((R)-2-((R)-(2-chloro-4-fluorophenoxy)(phenyl)methy...)
Show SMILES Fc1ccc(OC(C2CNCCO2)c2ccccc2)c(Cl)c1
Show InChI InChI=1/C17H17ClFNO2/c18-14-10-13(19)6-7-15(14)22-17(12-4-2-1-3-5-12)16-11-20-8-9-21-16/h1-7,10,16-17,20H,8-9,11H2
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
20n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2562-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.050
BindingDB Entry DOI: 10.7270/Q2Z036RS
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM87025
PNG
((R)-2-((R)-(2,3-dihydrobenzofuran-7-yloxy)(phenyl)...)
Show SMILES C1Cc2cccc(OC(C3CNCCO3)c3ccccc3)c2O1
Show InChI InChI=1/C19H21NO3/c1-2-5-14(6-3-1)19(17-13-20-10-12-21-17)23-16-8-4-7-15-9-11-22-18(15)16/h1-8,17,19-20H,9-13H2
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
20n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2562-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.050
BindingDB Entry DOI: 10.7270/Q2Z036RS
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM87043
PNG
((R)-2-((R)-(4-fluoro-2-methoxyphenoxy)(phenyl)meth...)
Show SMILES COc1cc(F)ccc1OC(C1CNCCO1)c1ccccc1
Show InChI InChI=1/C18H20FNO3/c1-21-16-11-14(19)7-8-15(16)23-18(13-5-3-2-4-6-13)17-12-20-9-10-22-17/h2-8,11,17-18,20H,9-10,12H2,1H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
22n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2562-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.050
BindingDB Entry DOI: 10.7270/Q2Z036RS
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM87023
PNG
((S)-2-((S)-(4-chloro-2-methoxyphenoxy)(2-fluorophe...)
Show SMILES COc1cc(Cl)ccc1OC(C1CNCCO1)c1ccccc1F
Show InChI InChI=1/C18H19ClFNO3/c1-22-16-10-12(19)6-7-15(16)24-18(17-11-21-8-9-23-17)13-4-2-3-5-14(13)20/h2-7,10,17-18,21H,8-9,11H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
22n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2562-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.050
BindingDB Entry DOI: 10.7270/Q2Z036RS
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM87036
PNG
((R)-2-((R)-(4-chloro-2-methoxyphenoxy)(phenyl)meth...)
Show SMILES COc1cc(Cl)ccc1OC(C1CNCCO1)c1ccccc1
Show InChI InChI=1/C18H20ClNO3/c1-21-16-11-14(19)7-8-15(16)23-18(13-5-3-2-4-6-13)17-12-20-9-10-22-17/h2-8,11,17-18,20H,9-10,12H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
26n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2562-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.050
BindingDB Entry DOI: 10.7270/Q2Z036RS
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM87036
PNG
((R)-2-((R)-(4-chloro-2-methoxyphenoxy)(phenyl)meth...)
Show SMILES COc1cc(Cl)ccc1OC(C1CNCCO1)c1ccccc1
Show InChI InChI=1/C18H20ClNO3/c1-21-16-11-14(19)7-8-15(16)23-18(13-5-3-2-4-6-13)17-12-20-9-10-22-17/h2-8,11,17-18,20H,9-10,12H2,1H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
28n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2562-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.050
BindingDB Entry DOI: 10.7270/Q2Z036RS
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM87046
PNG
((S)-2-((S)-(2-chloro-4-methoxyphenoxy)(phenyl)meth...)
Show SMILES COc1ccc(OC(C2CNCCO2)c2ccccc2)c(Cl)c1
Show InChI InChI=1/C18H20ClNO3/c1-21-14-7-8-16(15(19)11-14)23-18(13-5-3-2-4-6-13)17-12-20-9-10-22-17/h2-8,11,17-18,20H,9-10,12H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
28n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2562-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.050
BindingDB Entry DOI: 10.7270/Q2Z036RS
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM87031
PNG
((S)-2-((S)-(4-chloro-2-methoxyphenoxy)(4-fluorophe...)
Show SMILES COc1cc(Cl)ccc1OC(C1CNCCO1)c1ccc(F)cc1
Show InChI InChI=1/C18H19ClFNO3/c1-22-16-10-13(19)4-7-15(16)24-18(17-11-21-8-9-23-17)12-2-5-14(20)6-3-12/h2-7,10,17-18,21H,8-9,11H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

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



Pfizer Global Research and Development

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2562-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.050
BindingDB Entry DOI: 10.7270/Q2Z036RS
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM87028
PNG
((S)-2-((S)-(4-bromo-2-methoxyphenoxy)(phenyl)methy...)
Show SMILES COc1cc(Br)ccc1OC(C1CNCCO1)c1ccccc1
Show InChI InChI=1/C18H20BrNO3/c1-21-16-11-14(19)7-8-15(16)23-18(13-5-3-2-4-6-13)17-12-20-9-10-22-17/h2-8,11,17-18,20H,9-10,12H2,1H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
30n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2562-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.050
BindingDB Entry DOI: 10.7270/Q2Z036RS
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM87024
PNG
((R)-2-((R)-(4-fluoro-2-methylphenoxy)(phenyl)methy...)
Show SMILES Cc1cc(F)ccc1OC(C1CNCCO1)c1ccccc1
Show InChI InChI=1/C18H20FNO2/c1-13-11-15(19)7-8-16(13)22-18(14-5-3-2-4-6-14)17-12-20-9-10-21-17/h2-8,11,17-18,20H,9-10,12H2,1H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
34n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2562-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.050
BindingDB Entry DOI: 10.7270/Q2Z036RS
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM87036
PNG
((R)-2-((R)-(4-chloro-2-methoxyphenoxy)(phenyl)meth...)
Show SMILES COc1cc(Cl)ccc1OC(C1CNCCO1)c1ccccc1
Show InChI InChI=1/C18H20ClNO3/c1-21-16-11-14(19)7-8-15(16)23-18(13-5-3-2-4-6-13)17-12-20-9-10-22-17/h2-8,11,17-18,20H,9-10,12H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
36n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2562-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.050
BindingDB Entry DOI: 10.7270/Q2Z036RS
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM87040
PNG
((S)-2-((S)-(2-methoxy-4-(trifluoromethyl)phenoxy)(...)
Show SMILES COc1cc(ccc1OC(C1CNCCO1)c1ccccc1)C(F)(F)F
Show InChI InChI=1/C19H20F3NO3/c1-24-16-11-14(19(20,21)22)7-8-15(16)26-18(13-5-3-2-4-6-13)17-12-23-9-10-25-17/h2-8,11,17-18,23H,9-10,12H2,1H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
41n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2562-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.050
BindingDB Entry DOI: 10.7270/Q2Z036RS
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50136680
PNG
(CHEMBL424660 | N-methyl-3-(1-naphthyloxy)-3-(2-thi...)
Show SMILES CNCCC(Oc1cccc2ccccc12)c1cccs1
Show InChI InChI=1/C18H19NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
Purchase

CHEBI
CHEMBL
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
45n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2562-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.050
BindingDB Entry DOI: 10.7270/Q2Z036RS
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM87037
PNG
((S)-2-((S)-(4-chloro-2-methoxyphenoxy)(3-fluorophe...)
Show SMILES COc1cc(Cl)ccc1OC(C1CNCCO1)c1cccc(F)c1
Show InChI InChI=1/C18H19ClFNO3/c1-22-16-10-13(19)5-6-15(16)24-18(17-11-21-7-8-23-17)12-3-2-4-14(20)9-12/h2-6,9-10,17-18,21H,7-8,11H2,1H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
58n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2562-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.050
BindingDB Entry DOI: 10.7270/Q2Z036RS
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM87036
PNG
((R)-2-((R)-(4-chloro-2-methoxyphenoxy)(phenyl)meth...)
Show SMILES COc1cc(Cl)ccc1OC(C1CNCCO1)c1ccccc1
Show InChI InChI=1/C18H20ClNO3/c1-21-16-11-14(19)7-8-15(16)23-18(13-5-3-2-4-6-13)17-12-20-9-10-22-17/h2-8,11,17-18,20H,9-10,12H2,1H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
59n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2562-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.050
BindingDB Entry DOI: 10.7270/Q2Z036RS
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM87030
PNG
(CAS_44449911 | NSC_44449911 | rac-syn-2-((4-chloro...)
Show SMILES CCOc1cc(Cl)ccc1OC(C1CNCCO1)c1ccccc1
Show InChI InChI=1/C19H22ClNO3/c1-2-22-17-12-15(20)8-9-16(17)24-19(14-6-4-3-5-7-14)18-13-21-10-11-23-18/h3-9,12,18-19,21H,2,10-11,13H2,1H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
60n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2562-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.050
BindingDB Entry DOI: 10.7270/Q2Z036RS
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM87031
PNG
((S)-2-((S)-(4-chloro-2-methoxyphenoxy)(4-fluorophe...)
Show SMILES COc1cc(Cl)ccc1OC(C1CNCCO1)c1ccc(F)cc1
Show InChI InChI=1/C18H19ClFNO3/c1-22-16-10-13(19)4-7-15(16)24-18(17-11-21-8-9-23-17)12-2-5-14(20)6-3-12/h2-7,10,17-18,21H,8-9,11H2,1H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
62n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2562-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.050
BindingDB Entry DOI: 10.7270/Q2Z036RS
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM87038
PNG
((S)-2-((S)-(4-chloro-2-methoxyphenoxy)(m-tolyl)met...)
Show SMILES COc1cc(Cl)ccc1OC(C1CNCCO1)c1cccc(C)c1
Show InChI InChI=1/C19H22ClNO3/c1-13-4-3-5-14(10-13)19(18-12-21-8-9-23-18)24-16-7-6-15(20)11-17(16)22-2/h3-7,10-11,18-19,21H,8-9,12H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
69n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2562-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.050
BindingDB Entry DOI: 10.7270/Q2Z036RS
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM87021
PNG
((S)-2-((S)-(4-chloro-2-methoxyphenoxy)(o-tolyl)met...)
Show SMILES COc1cc(Cl)ccc1OC(C1CNCCO1)c1ccccc1C
Show InChI InChI=1/C19H22ClNO3/c1-13-5-3-4-6-15(13)19(18-12-21-9-10-23-18)24-16-8-7-14(20)11-17(16)22-2/h3-8,11,18-19,21H,9-10,12H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
70n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2562-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.050
BindingDB Entry DOI: 10.7270/Q2Z036RS
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM87023
PNG
((S)-2-((S)-(4-chloro-2-methoxyphenoxy)(2-fluorophe...)
Show SMILES COc1cc(Cl)ccc1OC(C1CNCCO1)c1ccccc1F
Show InChI InChI=1/C18H19ClFNO3/c1-22-16-10-12(19)6-7-15(16)24-18(17-11-21-8-9-23-17)13-4-2-3-5-14(13)20/h2-7,10,17-18,21H,8-9,11H2,1H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
70n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2562-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.050
BindingDB Entry DOI: 10.7270/Q2Z036RS
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM87021
PNG
((S)-2-((S)-(4-chloro-2-methoxyphenoxy)(o-tolyl)met...)
Show SMILES COc1cc(Cl)ccc1OC(C1CNCCO1)c1ccccc1C
Show InChI InChI=1/C19H22ClNO3/c1-13-5-3-4-6-15(13)19(18-12-21-9-10-23-18)24-16-8-7-14(20)11-17(16)22-2/h3-8,11,18-19,21H,9-10,12H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
84n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2562-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.050
BindingDB Entry DOI: 10.7270/Q2Z036RS
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM87036
PNG
((R)-2-((R)-(4-chloro-2-methoxyphenoxy)(phenyl)meth...)
Show SMILES COc1cc(Cl)ccc1OC(C1CNCCO1)c1ccccc1
Show InChI InChI=1/C18H20ClNO3/c1-21-16-11-14(19)7-8-15(16)23-18(13-5-3-2-4-6-13)17-12-20-9-10-22-17/h2-8,11,17-18,20H,9-10,12H2,1H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
85n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2562-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.050
BindingDB Entry DOI: 10.7270/Q2Z036RS
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM87022
PNG
((S)-2-((S)-(4-chloro-2-methoxyphenoxy)(p-tolyl)met...)
Show SMILES COc1cc(Cl)ccc1OC(C1CNCCO1)c1ccc(C)cc1
Show InChI InChI=1/C19H22ClNO3/c1-13-3-5-14(6-4-13)19(18-12-21-9-10-23-18)24-16-8-7-15(20)11-17(16)22-2/h3-8,11,18-19,21H,9-10,12H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
88n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2562-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.050
BindingDB Entry DOI: 10.7270/Q2Z036RS
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM87046
PNG
((S)-2-((S)-(2-chloro-4-methoxyphenoxy)(phenyl)meth...)
Show SMILES COc1ccc(OC(C2CNCCO2)c2ccccc2)c(Cl)c1
Show InChI InChI=1/C18H20ClNO3/c1-21-14-7-8-16(15(19)11-14)23-18(13-5-3-2-4-6-13)17-12-20-9-10-22-17/h2-8,11,17-18,20H,9-10,12H2,1H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
96n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2562-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.050
BindingDB Entry DOI: 10.7270/Q2Z036RS
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM87029
PNG
((S)-2-((S)-(2,3-dichlorophenoxy)(phenyl)methyl)mor...)
Show SMILES Clc1cccc(OC(C2CNCCO2)c2ccccc2)c1Cl
Show InChI InChI=1/C17H17Cl2NO2/c18-13-7-4-8-14(16(13)19)22-17(12-5-2-1-3-6-12)15-11-20-9-10-21-15/h1-8,15,17,20H,9-11H2
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
100n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2562-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.050
BindingDB Entry DOI: 10.7270/Q2Z036RS
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM87036
PNG
((R)-2-((R)-(4-chloro-2-methoxyphenoxy)(phenyl)meth...)
Show SMILES COc1cc(Cl)ccc1OC(C1CNCCO1)c1ccccc1
Show InChI InChI=1/C18H20ClNO3/c1-21-16-11-14(19)7-8-15(16)23-18(13-5-3-2-4-6-13)17-12-20-9-10-22-17/h2-8,11,17-18,20H,9-10,12H2,1H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
110n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2562-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.050
BindingDB Entry DOI: 10.7270/Q2Z036RS
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM87035
PNG
(3-methoxy-4-((S)-((S)-morpholin-2-yl)(phenyl)metho...)
Show SMILES COc1cc(ccc1OC(C1CNCCO1)c1ccccc1)C#N
Show InChI InChI=1/C19H20N2O3/c1-22-17-11-14(12-20)7-8-16(17)24-19(15-5-3-2-4-6-15)18-13-21-9-10-23-18/h2-8,11,18-19,21H,9-10,13H2,1H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
110n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2562-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.050
BindingDB Entry DOI: 10.7270/Q2Z036RS
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM87027
PNG
((R)-2-((R)-(2,3-difluorophenoxy)(phenyl)methyl)mor...)
Show SMILES Fc1cccc(OC(C2CNCCO2)c2ccccc2)c1F
Show InChI InChI=1/C17H17F2NO2/c18-13-7-4-8-14(16(13)19)22-17(12-5-2-1-3-6-12)15-11-20-9-10-21-15/h1-8,15,17,20H,9-11H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
130n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2562-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.050
BindingDB Entry DOI: 10.7270/Q2Z036RS
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM87040
PNG
((S)-2-((S)-(2-methoxy-4-(trifluoromethyl)phenoxy)(...)
Show SMILES COc1cc(ccc1OC(C1CNCCO1)c1ccccc1)C(F)(F)F
Show InChI InChI=1/C19H20F3NO3/c1-24-16-11-14(19(20,21)22)7-8-15(16)26-18(13-5-3-2-4-6-13)17-12-23-9-10-25-17/h2-8,11,17-18,23H,9-10,12H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
160n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2562-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.050
BindingDB Entry DOI: 10.7270/Q2Z036RS
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM87022
PNG
((S)-2-((S)-(4-chloro-2-methoxyphenoxy)(p-tolyl)met...)
Show SMILES COc1cc(Cl)ccc1OC(C1CNCCO1)c1ccc(C)cc1
Show InChI InChI=1/C19H22ClNO3/c1-13-3-5-14(6-4-13)19(18-12-21-9-10-23-18)24-16-8-7-15(20)11-17(16)22-2/h3-8,11,18-19,21H,9-10,12H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
180n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2562-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.050
BindingDB Entry DOI: 10.7270/Q2Z036RS
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM87024
PNG
((R)-2-((R)-(4-fluoro-2-methylphenoxy)(phenyl)methy...)
Show SMILES Cc1cc(F)ccc1OC(C1CNCCO1)c1ccccc1
Show InChI InChI=1/C18H20FNO2/c1-13-11-15(19)7-8-16(13)22-18(14-5-3-2-4-6-14)17-12-20-9-10-21-17/h2-8,11,17-18,20H,9-10,12H2,1H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
185n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2562-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.050
BindingDB Entry DOI: 10.7270/Q2Z036RS
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM87035
PNG
(3-methoxy-4-((S)-((S)-morpholin-2-yl)(phenyl)metho...)
Show SMILES COc1cc(ccc1OC(C1CNCCO1)c1ccccc1)C#N
Show InChI InChI=1/C19H20N2O3/c1-22-17-11-14(12-20)7-8-16(17)24-19(15-5-3-2-4-6-15)18-13-21-9-10-23-18/h2-8,11,18-19,21H,9-10,13H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
210n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2562-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.050
BindingDB Entry DOI: 10.7270/Q2Z036RS
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM87030
PNG
(CAS_44449911 | NSC_44449911 | rac-syn-2-((4-chloro...)
Show SMILES CCOc1cc(Cl)ccc1OC(C1CNCCO1)c1ccccc1
Show InChI InChI=1/C19H22ClNO3/c1-2-22-17-12-15(20)8-9-16(17)24-19(14-6-4-3-5-7-14)18-13-21-10-11-23-18/h3-9,12,18-19,21H,2,10-11,13H2,1H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
220n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2562-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.050
BindingDB Entry DOI: 10.7270/Q2Z036RS
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM87033
PNG
(CAS_44449944 | NSC_44449944 | rac-syn-2-((3-chloro...)
Show SMILES CCOc1c(Cl)cccc1OC(C1CNCCO1)c1ccccc1
Show InChI InChI=1/C19H22ClNO3/c1-2-22-19-15(20)9-6-10-16(19)24-18(14-7-4-3-5-8-14)17-13-21-11-12-23-17/h3-10,17-18,21H,2,11-13H2,1H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
240n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2562-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.050
BindingDB Entry DOI: 10.7270/Q2Z036RS
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM87032
PNG
((R)-2-((R)-(2-chloro-4-fluorophenoxy)(phenyl)methy...)
Show SMILES Fc1ccc(OC(C2CNCCO2)c2ccccc2)c(Cl)c1
Show InChI InChI=1/C17H17ClFNO2/c18-14-10-13(19)6-7-15(14)22-17(12-4-2-1-3-5-12)16-11-20-8-9-21-16/h1-7,10,16-17,20H,8-9,11H2
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
260n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2562-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.050
BindingDB Entry DOI: 10.7270/Q2Z036RS
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM87033
PNG
(CAS_44449944 | NSC_44449944 | rac-syn-2-((3-chloro...)
Show SMILES CCOc1c(Cl)cccc1OC(C1CNCCO1)c1ccccc1
Show InChI InChI=1/C19H22ClNO3/c1-2-22-19-15(20)9-6-10-16(19)24-18(14-7-4-3-5-8-14)17-13-21-11-12-23-17/h3-10,17-18,21H,2,11-13H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
275n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2562-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.050
BindingDB Entry DOI: 10.7270/Q2Z036RS
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM87036
PNG
((R)-2-((R)-(4-chloro-2-methoxyphenoxy)(phenyl)meth...)
Show SMILES COc1cc(Cl)ccc1OC(C1CNCCO1)c1ccccc1
Show InChI InChI=1/C18H20ClNO3/c1-21-16-11-14(19)7-8-15(16)23-18(13-5-3-2-4-6-13)17-12-20-9-10-22-17/h2-8,11,17-18,20H,9-10,12H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
320n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2562-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.050
BindingDB Entry DOI: 10.7270/Q2Z036RS
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM87033
PNG
(CAS_44449944 | NSC_44449944 | rac-syn-2-((3-chloro...)
Show SMILES CCOc1c(Cl)cccc1OC(C1CNCCO1)c1ccccc1
Show InChI InChI=1/C19H22ClNO3/c1-2-22-19-15(20)9-6-10-16(19)24-18(14-7-4-3-5-8-14)17-13-21-11-12-23-17/h3-10,17-18,21H,2,11-13H2,1H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
340n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2562-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.050
BindingDB Entry DOI: 10.7270/Q2Z036RS
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM87025
PNG
((R)-2-((R)-(2,3-dihydrobenzofuran-7-yloxy)(phenyl)...)
Show SMILES C1Cc2cccc(OC(C3CNCCO3)c3ccccc3)c2O1
Show InChI InChI=1/C19H21NO3/c1-2-5-14(6-3-1)19(17-13-20-10-12-21-17)23-16-8-4-7-15-9-11-22-18(15)16/h1-8,17,19-20H,9-13H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
350n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2562-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.050
BindingDB Entry DOI: 10.7270/Q2Z036RS
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM87027
PNG
((R)-2-((R)-(2,3-difluorophenoxy)(phenyl)methyl)mor...)
Show SMILES Fc1cccc(OC(C2CNCCO2)c2ccccc2)c1F
Show InChI InChI=1/C17H17F2NO2/c18-13-7-4-8-14(16(13)19)22-17(12-5-2-1-3-6-12)15-11-20-9-10-21-15/h1-8,15,17,20H,9-11H2
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
380n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2562-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.050
BindingDB Entry DOI: 10.7270/Q2Z036RS
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM87030
PNG
(CAS_44449911 | NSC_44449911 | rac-syn-2-((4-chloro...)
Show SMILES CCOc1cc(Cl)ccc1OC(C1CNCCO1)c1ccccc1
Show InChI InChI=1/C19H22ClNO3/c1-2-22-17-12-15(20)8-9-16(17)24-19(14-6-4-3-5-7-14)18-13-21-10-11-23-18/h3-9,12,18-19,21H,2,10-11,13H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
390n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2562-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.050
BindingDB Entry DOI: 10.7270/Q2Z036RS
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM87036
PNG
((R)-2-((R)-(4-chloro-2-methoxyphenoxy)(phenyl)meth...)
Show SMILES COc1cc(Cl)ccc1OC(C1CNCCO1)c1ccccc1
Show InChI InChI=1/C18H20ClNO3/c1-21-16-11-14(19)7-8-15(16)23-18(13-5-3-2-4-6-13)17-12-20-9-10-22-17/h2-8,11,17-18,20H,9-10,12H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
420n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2562-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.050
BindingDB Entry DOI: 10.7270/Q2Z036RS
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM87029
PNG
((S)-2-((S)-(2,3-dichlorophenoxy)(phenyl)methyl)mor...)
Show SMILES Clc1cccc(OC(C2CNCCO2)c2ccccc2)c1Cl
Show InChI InChI=1/C17H17Cl2NO2/c18-13-7-4-8-14(16(13)19)22-17(12-5-2-1-3-6-12)15-11-20-9-10-21-15/h1-8,15,17,20H,9-11H2
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
420n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2562-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.050
BindingDB Entry DOI: 10.7270/Q2Z036RS
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50136680
PNG
(CHEMBL424660 | N-methyl-3-(1-naphthyloxy)-3-(2-thi...)
Show SMILES CNCCC(Oc1cccc2ccccc12)c1cccs1
Show InChI InChI=1/C18H19NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
Purchase

CHEBI
CHEMBL
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
435n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2562-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.050
BindingDB Entry DOI: 10.7270/Q2Z036RS
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM87043
PNG
((R)-2-((R)-(4-fluoro-2-methoxyphenoxy)(phenyl)meth...)
Show SMILES COc1cc(F)ccc1OC(C1CNCCO1)c1ccccc1
Show InChI InChI=1/C18H20FNO3/c1-21-16-11-14(19)7-8-15(16)23-18(13-5-3-2-4-6-13)17-12-20-9-10-22-17/h2-8,11,17-18,20H,9-10,12H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
610n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2562-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.050
BindingDB Entry DOI: 10.7270/Q2Z036RS
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM87043
PNG
((R)-2-((R)-(4-fluoro-2-methoxyphenoxy)(phenyl)meth...)
Show SMILES COc1cc(F)ccc1OC(C1CNCCO1)c1ccccc1
Show InChI InChI=1/C18H20FNO3/c1-21-16-11-14(19)7-8-15(16)23-18(13-5-3-2-4-6-13)17-12-20-9-10-22-17/h2-8,11,17-18,20H,9-10,12H2,1H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
740n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2562-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.050
BindingDB Entry DOI: 10.7270/Q2Z036RS
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM87032
PNG
((R)-2-((R)-(2-chloro-4-fluorophenoxy)(phenyl)methy...)
Show SMILES Fc1ccc(OC(C2CNCCO2)c2ccccc2)c(Cl)c1
Show InChI InChI=1/C17H17ClFNO2/c18-14-10-13(19)6-7-15(14)22-17(12-4-2-1-3-5-12)16-11-20-8-9-21-16/h1-7,10,16-17,20H,8-9,11H2
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
760n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2562-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.050
BindingDB Entry DOI: 10.7270/Q2Z036RS
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM87032
PNG
((R)-2-((R)-(2-chloro-4-fluorophenoxy)(phenyl)methy...)
Show SMILES Fc1ccc(OC(C2CNCCO2)c2ccccc2)c(Cl)c1
Show InChI InChI=1/C17H17ClFNO2/c18-14-10-13(19)6-7-15(14)22-17(12-4-2-1-3-5-12)16-11-20-8-9-21-16/h1-7,10,16-17,20H,8-9,11H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
830n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2562-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.050
BindingDB Entry DOI: 10.7270/Q2Z036RS
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM87024
PNG
((R)-2-((R)-(4-fluoro-2-methylphenoxy)(phenyl)methy...)
Show SMILES Cc1cc(F)ccc1OC(C1CNCCO1)c1ccccc1
Show InChI InChI=1/C18H20FNO2/c1-13-11-15(19)7-8-16(13)22-18(14-5-3-2-4-6-14)17-12-20-9-10-21-17/h2-8,11,17-18,20H,9-10,12H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
860n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2562-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.050
BindingDB Entry DOI: 10.7270/Q2Z036RS
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM87024
PNG
((R)-2-((R)-(4-fluoro-2-methylphenoxy)(phenyl)methy...)
Show SMILES Cc1cc(F)ccc1OC(C1CNCCO1)c1ccccc1
Show InChI InChI=1/C18H20FNO2/c1-13-11-15(19)7-8-16(13)22-18(14-5-3-2-4-6-14)17-12-20-9-10-21-17/h2-8,11,17-18,20H,9-10,12H2,1H3
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
950n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2562-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.050
BindingDB Entry DOI: 10.7270/Q2Z036RS
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM87046
PNG
((S)-2-((S)-(2-chloro-4-methoxyphenoxy)(phenyl)meth...)
Show SMILES COc1ccc(OC(C2CNCCO2)c2ccccc2)c(Cl)c1
Show InChI InChI=1/C18H20ClNO3/c1-21-14-7-8-16(15(19)11-14)23-18(13-5-3-2-4-6-13)17-12-20-9-10-22-17/h2-8,11,17-18,20H,9-10,12H2,1H3
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.09E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2562-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.050
BindingDB Entry DOI: 10.7270/Q2Z036RS
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM87032
PNG
((R)-2-((R)-(2-chloro-4-fluorophenoxy)(phenyl)methy...)
Show SMILES Fc1ccc(OC(C2CNCCO2)c2ccccc2)c(Cl)c1
Show InChI InChI=1/C17H17ClFNO2/c18-14-10-13(19)6-7-15(14)22-17(12-4-2-1-3-5-12)16-11-20-8-9-21-16/h1-7,10,16-17,20H,8-9,11H2
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.17E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2562-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.050
BindingDB Entry DOI: 10.7270/Q2Z036RS
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM87024
PNG
((R)-2-((R)-(4-fluoro-2-methylphenoxy)(phenyl)methy...)
Show SMILES Cc1cc(F)ccc1OC(C1CNCCO1)c1ccccc1
Show InChI InChI=1/C18H20FNO2/c1-13-11-15(19)7-8-16(13)22-18(14-5-3-2-4-6-14)17-12-20-9-10-21-17/h2-8,11,17-18,20H,9-10,12H2,1H3
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.25E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2562-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.050
BindingDB Entry DOI: 10.7270/Q2Z036RS
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50124566
PNG
((R)-2-((R)-(2-ethoxyphenoxy)(phenyl)methyl)morphol...)
Show SMILES CCOc1ccccc1OC(C1CNCCO1)c1ccccc1
Show InChI InChI=1/C19H23NO3/c1-2-21-16-10-6-7-11-17(16)23-19(15-8-4-3-5-9-15)18-14-20-12-13-22-18/h3-11,18-20H,2,12-14H2,1H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
1.40E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2562-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.050
BindingDB Entry DOI: 10.7270/Q2Z036RS
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM87033
PNG
(CAS_44449944 | NSC_44449944 | rac-syn-2-((3-chloro...)
Show SMILES CCOc1c(Cl)cccc1OC(C1CNCCO1)c1ccccc1
Show InChI InChI=1/C19H22ClNO3/c1-2-22-19-15(20)9-6-10-16(19)24-18(14-7-4-3-5-8-14)17-13-21-11-12-23-17/h3-10,17-18,21H,2,11-13H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.49E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2562-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.050
BindingDB Entry DOI: 10.7270/Q2Z036RS
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM87030
PNG
(CAS_44449911 | NSC_44449911 | rac-syn-2-((4-chloro...)
Show SMILES CCOc1cc(Cl)ccc1OC(C1CNCCO1)c1ccccc1
Show InChI InChI=1/C19H22ClNO3/c1-2-22-17-12-15(20)8-9-16(17)24-19(14-6-4-3-5-7-14)18-13-21-10-11-23-18/h3-9,12,18-19,21H,2,10-11,13H2,1H3
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
1.54E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2562-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.050
BindingDB Entry DOI: 10.7270/Q2Z036RS
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM87036
PNG
((R)-2-((R)-(4-chloro-2-methoxyphenoxy)(phenyl)meth...)
Show SMILES COc1cc(Cl)ccc1OC(C1CNCCO1)c1ccccc1
Show InChI InChI=1/C18H20ClNO3/c1-21-16-11-14(19)7-8-15(16)23-18(13-5-3-2-4-6-13)17-12-20-9-10-22-17/h2-8,11,17-18,20H,9-10,12H2,1H3
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
1.57E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2562-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.050
BindingDB Entry DOI: 10.7270/Q2Z036RS
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM87022
PNG
((S)-2-((S)-(4-chloro-2-methoxyphenoxy)(p-tolyl)met...)
Show SMILES COc1cc(Cl)ccc1OC(C1CNCCO1)c1ccc(C)cc1
Show InChI InChI=1/C19H22ClNO3/c1-13-3-5-14(6-4-13)19(18-12-21-9-10-23-18)24-16-8-7-15(20)11-17(16)22-2/h3-8,11,18-19,21H,9-10,12H2,1-2H3
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.65E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2562-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.050
BindingDB Entry DOI: 10.7270/Q2Z036RS
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM87030
PNG
(CAS_44449911 | NSC_44449911 | rac-syn-2-((4-chloro...)
Show SMILES CCOc1cc(Cl)ccc1OC(C1CNCCO1)c1ccccc1
Show InChI InChI=1/C19H22ClNO3/c1-2-22-17-12-15(20)8-9-16(17)24-19(14-6-4-3-5-7-14)18-13-21-10-11-23-18/h3-9,12,18-19,21H,2,10-11,13H2,1H3
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
1.67E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2562-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.050
BindingDB Entry DOI: 10.7270/Q2Z036RS
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM87036
PNG
((R)-2-((R)-(4-chloro-2-methoxyphenoxy)(phenyl)meth...)
Show SMILES COc1cc(Cl)ccc1OC(C1CNCCO1)c1ccccc1
Show InChI InChI=1/C18H20ClNO3/c1-21-16-11-14(19)7-8-15(16)23-18(13-5-3-2-4-6-13)17-12-20-9-10-22-17/h2-8,11,17-18,20H,9-10,12H2,1H3
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
1.79E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2562-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.050
BindingDB Entry DOI: 10.7270/Q2Z036RS
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM87025
PNG
((R)-2-((R)-(2,3-dihydrobenzofuran-7-yloxy)(phenyl)...)
Show SMILES C1Cc2cccc(OC(C3CNCCO3)c3ccccc3)c2O1
Show InChI InChI=1/C19H21NO3/c1-2-5-14(6-3-1)19(17-13-20-10-12-21-17)23-16-8-4-7-15-9-11-22-18(15)16/h1-8,17,19-20H,9-13H2
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.80E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2562-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.050
BindingDB Entry DOI: 10.7270/Q2Z036RS
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM87036
PNG
((R)-2-((R)-(4-chloro-2-methoxyphenoxy)(phenyl)meth...)
Show SMILES COc1cc(Cl)ccc1OC(C1CNCCO1)c1ccccc1
Show InChI InChI=1/C18H20ClNO3/c1-21-16-11-14(19)7-8-15(16)23-18(13-5-3-2-4-6-13)17-12-20-9-10-22-17/h2-8,11,17-18,20H,9-10,12H2,1H3
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
2.20E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2562-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.050
BindingDB Entry DOI: 10.7270/Q2Z036RS
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM87027
PNG
((R)-2-((R)-(2,3-difluorophenoxy)(phenyl)methyl)mor...)
Show SMILES Fc1cccc(OC(C2CNCCO2)c2ccccc2)c1F
Show InChI InChI=1/C17H17F2NO2/c18-13-7-4-8-14(16(13)19)22-17(12-5-2-1-3-6-12)15-11-20-9-10-21-15/h1-8,15,17,20H,9-11H2
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.60E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2562-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.050
BindingDB Entry DOI: 10.7270/Q2Z036RS
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM87043
PNG
((R)-2-((R)-(4-fluoro-2-methoxyphenoxy)(phenyl)meth...)
Show SMILES COc1cc(F)ccc1OC(C1CNCCO1)c1ccccc1
Show InChI InChI=1/C18H20FNO3/c1-21-16-11-14(19)7-8-15(16)23-18(13-5-3-2-4-6-13)17-12-20-9-10-22-17/h2-8,11,17-18,20H,9-10,12H2,1H3
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.08E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2562-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.050
BindingDB Entry DOI: 10.7270/Q2Z036RS
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM87027
PNG
((R)-2-((R)-(2,3-difluorophenoxy)(phenyl)methyl)mor...)
Show SMILES Fc1cccc(OC(C2CNCCO2)c2ccccc2)c1F
Show InChI InChI=1/C17H17F2NO2/c18-13-7-4-8-14(16(13)19)22-17(12-5-2-1-3-6-12)15-11-20-9-10-21-15/h1-8,15,17,20H,9-11H2
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.39E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2562-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.050
BindingDB Entry DOI: 10.7270/Q2Z036RS
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM87036
PNG
((R)-2-((R)-(4-chloro-2-methoxyphenoxy)(phenyl)meth...)
Show SMILES COc1cc(Cl)ccc1OC(C1CNCCO1)c1ccccc1
Show InChI InChI=1/C18H20ClNO3/c1-21-16-11-14(19)7-8-15(16)23-18(13-5-3-2-4-6-13)17-12-20-9-10-22-17/h2-8,11,17-18,20H,9-10,12H2,1H3
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
5.05E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2562-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.050
BindingDB Entry DOI: 10.7270/Q2Z036RS
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM87025
PNG
((R)-2-((R)-(2,3-dihydrobenzofuran-7-yloxy)(phenyl)...)
Show SMILES C1Cc2cccc(OC(C3CNCCO3)c3ccccc3)c2O1
Show InChI InChI=1/C19H21NO3/c1-2-5-14(6-3-1)19(17-13-20-10-12-21-17)23-16-8-4-7-15-9-11-22-18(15)16/h1-8,17,19-20H,9-13H2
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
5.75E+3n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2562-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.050
BindingDB Entry DOI: 10.7270/Q2Z036RS
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM87033
PNG
(CAS_44449944 | NSC_44449944 | rac-syn-2-((3-chloro...)
Show SMILES CCOc1c(Cl)cccc1OC(C1CNCCO1)c1ccccc1
Show InChI InChI=1/C19H22ClNO3/c1-2-22-19-15(20)9-6-10-16(19)24-18(14-7-4-3-5-8-14)17-13-21-11-12-23-17/h3-10,17-18,21H,2,11-13H2,1H3
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

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



Pfizer Global Research and Development

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2562-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.050
BindingDB Entry DOI: 10.7270/Q2Z036RS
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM87037
PNG
((S)-2-((S)-(4-chloro-2-methoxyphenoxy)(3-fluorophe...)
Show SMILES COc1cc(Cl)ccc1OC(C1CNCCO1)c1cccc(F)c1
Show InChI InChI=1/C18H19ClFNO3/c1-22-16-10-13(19)5-6-15(16)24-18(17-11-21-7-8-23-17)12-3-2-4-14(20)9-12/h2-6,9-10,17-18,21H,7-8,11H2,1H3
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

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



Pfizer Global Research and Development

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2562-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.050
BindingDB Entry DOI: 10.7270/Q2Z036RS
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM87033
PNG
(CAS_44449944 | NSC_44449944 | rac-syn-2-((3-chloro...)
Show SMILES CCOc1c(Cl)cccc1OC(C1CNCCO1)c1ccccc1
Show InChI InChI=1/C19H22ClNO3/c1-2-22-19-15(20)9-6-10-16(19)24-18(14-7-4-3-5-8-14)17-13-21-11-12-23-17/h3-10,17-18,21H,2,11-13H2,1H3
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

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



Pfizer Global Research and Development

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2562-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.050
BindingDB Entry DOI: 10.7270/Q2Z036RS
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50124566
PNG
((R)-2-((R)-(2-ethoxyphenoxy)(phenyl)methyl)morphol...)
Show SMILES CCOc1ccccc1OC(C1CNCCO1)c1ccccc1
Show InChI InChI=1/C19H23NO3/c1-2-21-16-10-6-7-11-17(16)23-19(15-8-4-3-5-9-15)18-14-20-12-13-22-18/h3-11,18-20H,2,12-14H2,1H3
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Patents


Similars

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



Pfizer Global Research and Development

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 2562-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.050
BindingDB Entry DOI: 10.7270/Q2Z036RS
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%