BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 179 hits Enz. Inhib. hit(s) with all data for entry = 50027462   
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 serotonin transporter


(Homo sapiens (Human))
BDBM50246181
PNG
((2-(3,4-dichlorophenoxy)phenyl)-N,N-dimethylmethan...)
Show SMILES CN(C)Cc1ccccc1Oc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C15H15Cl2NO/c1-18(2)10-11-5-3-4-6-15(11)19-12-7-8-13(16)14(17)9-12/h3-9H,10H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.350n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of serotonin reuptake at SERT (unknown origin)


Bioorg Med Chem Lett 18: 6088-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.028
BindingDB Entry DOI: 10.7270/Q2RJ4JBK
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50246186
PNG
(CHEMBL450714 | N,N-dimethyl-1-(2-(4-(methylthio)ph...)
Show SMILES CSc1ccc(Oc2ccccc2CN(C)C)cc1
Show InChI InChI=1S/C16H19NOS/c1-17(2)12-13-6-4-5-7-16(13)18-14-8-10-15(19-3)11-9-14/h4-11H,12H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of serotonin reuptake at SERT (unknown origin)


Bioorg Med Chem Lett 18: 6088-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.028
BindingDB Entry DOI: 10.7270/Q2RJ4JBK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50246480
PNG
(1-(4-chloro-2-(p-tolyloxy)phenyl)-N-methylmethanam...)
Show SMILES CNCc1ccc(Cl)cc1Oc1ccc(C)cc1
Show InChI InChI=1S/C15H16ClNO/c1-11-3-7-14(8-4-11)18-15-9-13(16)6-5-12(15)10-17-2/h3-9,17H,10H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.18n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5HT2A receptor (unknown origin)


Bioorg Med Chem Lett 18: 6088-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.028
BindingDB Entry DOI: 10.7270/Q2RJ4JBK
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50233471
PNG
((2-(4-chlorophenoxy)phenyl)-N,N-dimethylmethanamin...)
Show SMILES CN(C)Cc1ccccc1Oc1ccc(Cl)cc1
Show InChI InChI=1S/C15H16ClNO/c1-17(2)11-12-5-3-4-6-15(12)18-14-9-7-13(16)8-10-14/h3-10H,11H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.68n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of serotonin reuptake at SERT (unknown origin)


Bioorg Med Chem Lett 18: 6088-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.028
BindingDB Entry DOI: 10.7270/Q2RJ4JBK
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50246323
PNG
(1-(2-(3,4-dichlorophenoxy)-5-methylphenyl)-N,N-dim...)
Show SMILES CN(C)Cc1cc(C)ccc1Oc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H17Cl2NO/c1-11-4-7-16(12(8-11)10-19(2)3)20-13-5-6-14(17)15(18)9-13/h4-9H,10H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.36n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of serotonin reuptake at SERT (unknown origin)


Bioorg Med Chem Lett 18: 6088-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.028
BindingDB Entry DOI: 10.7270/Q2RJ4JBK
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50246185
PNG
(2-(4-(3,4-dichlorophenoxy)-3-((dimethylamino)methy...)
Show SMILES CN(C)Cc1cc(CC(N)=O)ccc1Oc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H18Cl2N2O2/c1-21(2)10-12-7-11(8-17(20)22)3-6-16(12)23-13-4-5-14(18)15(19)9-13/h3-7,9H,8,10H2,1-2H3,(H2,20,22)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.43n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of serotonin reuptake at SERT (unknown origin)


Bioorg Med Chem Lett 18: 6088-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.028
BindingDB Entry DOI: 10.7270/Q2RJ4JBK
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50246372
PNG
(4-(3,4-dichlorophenoxy)-3-((methylamino)methyl)ben...)
Show SMILES CNCc1cc(ccc1Oc1ccc(Cl)c(Cl)c1)C#N
Show InChI InChI=1S/C15H12Cl2N2O/c1-19-9-11-6-10(8-18)2-5-15(11)20-12-3-4-13(16)14(17)7-12/h2-7,19H,9H2,1H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.5n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of serotonin reuptake at SERT (unknown origin)


Bioorg Med Chem Lett 18: 6088-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.028
BindingDB Entry DOI: 10.7270/Q2RJ4JBK
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50246229
PNG
(1-(2-(3,4-dichlorophenoxy)phenyl)-N,N-dimethyletha...)
Show SMILES CC(N(C)C)c1ccccc1Oc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H17Cl2NO/c1-11(19(2)3)13-6-4-5-7-16(13)20-12-8-9-14(17)15(18)10-12/h4-11H,1-3H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 3.27n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of serotonin reuptake at SERT (unknown origin)


Bioorg Med Chem Lett 18: 6088-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.028
BindingDB Entry DOI: 10.7270/Q2RJ4JBK
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50246182
PNG
(1-(2-(3,4-dichlorophenoxy)-5-fluorophenyl)-N-methy...)
Show SMILES CNCc1cc(F)ccc1Oc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C14H12Cl2FNO/c1-18-8-9-6-10(17)2-5-14(9)19-11-3-4-12(15)13(16)7-11/h2-7,18H,8H2,1H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 3.28n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of serotonin reuptake at SERT (unknown origin)


Bioorg Med Chem Lett 18: 6088-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.028
BindingDB Entry DOI: 10.7270/Q2RJ4JBK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50246134
PNG
(1-(4-chloro-2-(3,4-dimethylphenoxy)phenyl)-N-methy...)
Show SMILES CNCc1ccc(Cl)cc1Oc1ccc(C)c(C)c1
Show InChI InChI=1S/C16H18ClNO/c1-11-4-7-15(8-12(11)2)19-16-9-14(17)6-5-13(16)10-18-3/h4-9,18H,10H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.42n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5HT2A receptor (unknown origin)


Bioorg Med Chem Lett 18: 6088-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.028
BindingDB Entry DOI: 10.7270/Q2RJ4JBK
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50246230
PNG
(CHEMBL454288 | N,N-dimethyl-1-(2-(p-tolyloxy)pheny...)
Show SMILES CN(C)Cc1ccccc1Oc1ccc(C)cc1
Show InChI InChI=1S/C16H19NO/c1-13-8-10-15(11-9-13)18-16-7-5-4-6-14(16)12-17(2)3/h4-11H,12H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.46n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of serotonin reuptake at SERT (unknown origin)


Bioorg Med Chem Lett 18: 6088-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.028
BindingDB Entry DOI: 10.7270/Q2RJ4JBK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50246532
PNG
(1-(4-chloro-2-(p-tolyloxy)phenyl)-N-methylethanami...)
Show SMILES CNC(C)c1ccc(Cl)cc1Oc1ccc(C)cc1
Show InChI InChI=1S/C16H18ClNO/c1-11-4-7-14(8-5-11)19-16-10-13(17)6-9-15(16)12(2)18-3/h4-10,12,18H,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.54n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5HT2A receptor (unknown origin)


Bioorg Med Chem Lett 18: 6088-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.028
BindingDB Entry DOI: 10.7270/Q2RJ4JBK
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50246371
PNG
(1-(2-(3,4-dichlorophenoxy)-4-methoxyphenyl)-N,N-di...)
Show SMILES COc1ccc(CN(C)C)c(Oc2ccc(Cl)c(Cl)c2)c1
Show InChI InChI=1S/C16H17Cl2NO2/c1-19(2)10-11-4-5-12(20-3)9-16(11)21-13-6-7-14(17)15(18)8-13/h4-9H,10H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 3.61n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of serotonin reuptake at SERT (unknown origin)


Bioorg Med Chem Lett 18: 6088-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.028
BindingDB Entry DOI: 10.7270/Q2RJ4JBK
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50246320
PNG
(1-(2-(3,4-dichlorophenoxy)-5-methoxyphenyl)-N-meth...)
Show SMILES CNCc1cc(OC)ccc1Oc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C15H15Cl2NO2/c1-18-9-10-7-11(19-2)4-6-15(10)20-12-3-5-13(16)14(17)8-12/h3-8,18H,9H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 3.77n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of serotonin reuptake at SERT (unknown origin)


Bioorg Med Chem Lett 18: 6088-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.028
BindingDB Entry DOI: 10.7270/Q2RJ4JBK
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50246376
PNG
(4-(3,4-dichlorophenoxy)-3-((methylamino)methyl)ben...)
Show SMILES CNCc1cc(ccc1Oc1ccc(Cl)c(Cl)c1)C(N)=O
Show InChI InChI=1S/C15H14Cl2N2O2/c1-19-8-10-6-9(15(18)20)2-5-14(10)21-11-3-4-12(16)13(17)7-11/h2-7,19H,8H2,1H3,(H2,18,20)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.78n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of serotonin reuptake at SERT (unknown origin)


Bioorg Med Chem Lett 18: 6088-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.028
BindingDB Entry DOI: 10.7270/Q2RJ4JBK
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50246184
PNG
(1-(2-(3,4-dichlorophenoxy)phenyl)-N-methylmethanam...)
Show SMILES CNCc1ccccc1Oc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C14H13Cl2NO/c1-17-9-10-4-2-3-5-14(10)18-11-6-7-12(15)13(16)8-11/h2-8,17H,9H2,1H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.02n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of serotonin reuptake at SERT (unknown origin)


Bioorg Med Chem Lett 18: 6088-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.028
BindingDB Entry DOI: 10.7270/Q2RJ4JBK
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50246537
PNG
(1-(4-chloro-2-(3-chloro-4-methylphenoxy)phenyl)-N-...)
Show SMILES CNCc1ccc(Cl)cc1Oc1ccc(C)c(Cl)c1
Show InChI InChI=1S/C15H15Cl2NO/c1-10-3-6-13(8-14(10)17)19-15-7-12(16)5-4-11(15)9-18-2/h3-8,18H,9H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.19n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of serotonin reuptake at SERT (unknown origin)


Bioorg Med Chem Lett 18: 6088-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.028
BindingDB Entry DOI: 10.7270/Q2RJ4JBK
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50245791
PNG
(1-(4-chloro-2-(4-chloro-3-methylphenoxy)phenyl)-N-...)
Show SMILES CNCc1ccc(Cl)cc1Oc1ccc(Cl)c(C)c1
Show InChI InChI=1S/C15H15Cl2NO/c1-10-7-13(5-6-14(10)17)19-15-8-12(16)4-3-11(15)9-18-2/h3-8,18H,9H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.27n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of serotonin reuptake at SERT (unknown origin)


Bioorg Med Chem Lett 18: 6088-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.028
BindingDB Entry DOI: 10.7270/Q2RJ4JBK
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50246428
PNG
(1-(4-chloro-2-(3,4-dichlorophenoxy)-5-fluorophenyl...)
Show SMILES CNCc1cc(F)c(Cl)cc1Oc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C14H11Cl3FNO/c1-19-7-8-4-13(18)12(17)6-14(8)20-9-2-3-10(15)11(16)5-9/h2-6,19H,7H2,1H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.37n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of serotonin reuptake at SERT (unknown origin)


Bioorg Med Chem Lett 18: 6088-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.028
BindingDB Entry DOI: 10.7270/Q2RJ4JBK
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50246478
PNG
(1-(2-(3,4-dichlorophenoxy)-5-fluoro-4-methoxypheny...)
Show SMILES CNCc1cc(F)c(OC)cc1Oc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C15H14Cl2FNO2/c1-19-8-9-5-13(18)15(20-2)7-14(9)21-10-3-4-11(16)12(17)6-10/h3-7,19H,8H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 4.51n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of serotonin reuptake at SERT (unknown origin)


Bioorg Med Chem Lett 18: 6088-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.028
BindingDB Entry DOI: 10.7270/Q2RJ4JBK
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50246134
PNG
(1-(4-chloro-2-(3,4-dimethylphenoxy)phenyl)-N-methy...)
Show SMILES CNCc1ccc(Cl)cc1Oc1ccc(C)c(C)c1
Show InChI InChI=1S/C16H18ClNO/c1-11-4-7-15(8-12(11)2)19-16-9-14(17)6-5-13(16)10-18-3/h4-9,18H,10H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.67n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of serotonin reuptake at SERT (unknown origin)


Bioorg Med Chem Lett 18: 6088-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.028
BindingDB Entry DOI: 10.7270/Q2RJ4JBK
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50246325
PNG
(1-(5-bromo-2-(3,4-dichlorophenoxy)phenyl)-N-methyl...)
Show SMILES CNCc1cc(Br)ccc1Oc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C14H12BrCl2NO/c1-18-8-9-6-10(15)2-5-14(9)19-11-3-4-12(16)13(17)7-11/h2-7,18H,8H2,1H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 4.80n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of serotonin reuptake at SERT (unknown origin)


Bioorg Med Chem Lett 18: 6088-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.028
BindingDB Entry DOI: 10.7270/Q2RJ4JBK
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50246183
PNG
(4-(3,4-dichlorophenoxy)-3-((dimethylamino)methyl)a...)
Show SMILES CN(C)Cc1cc(N)ccc1Oc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C15H16Cl2N2O/c1-19(2)9-10-7-11(18)3-6-15(10)20-12-4-5-13(16)14(17)8-12/h3-8H,9,18H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 4.99n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of serotonin reuptake at SERT (unknown origin)


Bioorg Med Chem Lett 18: 6088-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.028
BindingDB Entry DOI: 10.7270/Q2RJ4JBK
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50246324
PNG
(1-(4-bromo-2-(3,4-dichlorophenoxy)phenyl)-N-methyl...)
Show SMILES CNCc1ccc(Br)cc1Oc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C14H12BrCl2NO/c1-18-8-9-2-3-10(15)6-14(9)19-11-4-5-12(16)13(17)7-11/h2-7,18H,8H2,1H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 5.10n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of serotonin reuptake at SERT (unknown origin)


Bioorg Med Chem Lett 18: 6088-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.028
BindingDB Entry DOI: 10.7270/Q2RJ4JBK
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50246481
PNG
(1-(2-(4-chloro-3-ethylphenoxy)-5-fluorophenyl)-N-m...)
Show SMILES CCc1cc(Oc2ccc(F)cc2CNC)ccc1Cl
Show InChI InChI=1S/C16H17ClFNO/c1-3-11-9-14(5-6-15(11)17)20-16-7-4-13(18)8-12(16)10-19-2/h4-9,19H,3,10H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.53n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of serotonin reuptake at SERT (unknown origin)


Bioorg Med Chem Lett 18: 6088-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.028
BindingDB Entry DOI: 10.7270/Q2RJ4JBK
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50246535
PNG
(1-(5-chloro-2-(3,4-dichlorophenoxy)phenyl)-N-methy...)
Show SMILES CNCc1cc(Cl)ccc1Oc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C14H12Cl3NO/c1-18-8-9-6-10(15)2-5-14(9)19-11-3-4-12(16)13(17)7-11/h2-7,18H,8H2,1H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.73n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of serotonin reuptake at SERT (unknown origin)


Bioorg Med Chem Lett 18: 6088-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.028
BindingDB Entry DOI: 10.7270/Q2RJ4JBK
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50246278
PNG
(1-(4-chloro-2-(3,4-dichlorophenoxy)phenyl)-N-methy...)
Show SMILES CNCc1ccc(Cl)cc1Oc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C14H12Cl3NO/c1-18-8-9-2-3-10(15)6-14(9)19-11-4-5-12(16)13(17)7-11/h2-7,18H,8H2,1H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 6.22n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of serotonin reuptake at SERT (unknown origin)


Bioorg Med Chem Lett 18: 6088-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.028
BindingDB Entry DOI: 10.7270/Q2RJ4JBK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50246531
PNG
(1-(4-chloro-2-(4-chlorophenoxy)phenyl)-N-methylmet...)
Show SMILES CNCc1ccc(Cl)cc1Oc1ccc(Cl)cc1
Show InChI InChI=1S/C14H13Cl2NO/c1-17-9-10-2-3-12(16)8-14(10)18-13-6-4-11(15)5-7-13/h2-8,17H,9H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.59n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5HT2A receptor (unknown origin)


Bioorg Med Chem Lett 18: 6088-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.028
BindingDB Entry DOI: 10.7270/Q2RJ4JBK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50246533
PNG
(1-(4-chloro-2-(3,4-dimethylphenoxy)phenyl)-N-methy...)
Show SMILES CNC(C)c1ccc(Cl)cc1Oc1ccc(C)c(C)c1
Show InChI InChI=1S/C17H20ClNO/c1-11-5-7-15(9-12(11)2)20-17-10-14(18)6-8-16(17)13(3)19-4/h5-10,13,19H,1-4H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.82n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5HT2A receptor (unknown origin)


Bioorg Med Chem Lett 18: 6088-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.028
BindingDB Entry DOI: 10.7270/Q2RJ4JBK
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50246536
PNG
(1-(5-chloro-2-(4-chlorophenoxy)phenyl)-N-methylmet...)
Show SMILES CNCc1cc(Cl)ccc1Oc1ccc(Cl)cc1
Show InChI InChI=1S/C14H13Cl2NO/c1-17-9-10-8-12(16)4-7-14(10)18-13-5-2-11(15)3-6-13/h2-8,17H,9H2,1H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.49n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of serotonin reuptake at SERT (unknown origin)


Bioorg Med Chem Lett 18: 6088-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.028
BindingDB Entry DOI: 10.7270/Q2RJ4JBK
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50246233
PNG
(1-(2-(3,4-dimethylphenoxy)-5-fluorophenyl)-N-methy...)
Show SMILES CNCc1cc(F)ccc1Oc1ccc(C)c(C)c1
Show InChI InChI=1S/C16H18FNO/c1-11-4-6-15(8-12(11)2)19-16-7-5-14(17)9-13(16)10-18-3/h4-9,18H,10H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.55n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of serotonin reuptake at SERT (unknown origin)


Bioorg Med Chem Lett 18: 6088-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.028
BindingDB Entry DOI: 10.7270/Q2RJ4JBK
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50246279
PNG
(1-(2-(3,4-dichlorophenoxy)-5-fluorophenyl)-N-methy...)
Show SMILES CNC(C)c1cc(F)ccc1Oc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C15H14Cl2FNO/c1-9(19-2)12-7-10(18)3-6-15(12)20-11-4-5-13(16)14(17)8-11/h3-9,19H,1-2H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 8.09n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of serotonin reuptake at SERT (unknown origin)


Bioorg Med Chem Lett 18: 6088-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.028
BindingDB Entry DOI: 10.7270/Q2RJ4JBK
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50246429
PNG
(1-(2-(3,4-dichlorophenoxy)-4-methoxyphenyl)-N-meth...)
Show SMILES CNCc1ccc(OC)cc1Oc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C15H15Cl2NO2/c1-18-9-10-3-4-11(19-2)8-15(10)20-12-5-6-13(16)14(17)7-12/h3-8,18H,9H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 8.72n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of serotonin reuptake at SERT (unknown origin)


Bioorg Med Chem Lett 18: 6088-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.028
BindingDB Entry DOI: 10.7270/Q2RJ4JBK
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50246374
PNG
(1-(2-(3,4-dichlorophenoxy)-4,5-dimethylphenyl)-N-m...)
Show SMILES CNCc1cc(C)c(C)cc1Oc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H17Cl2NO/c1-10-6-12(9-19-3)16(7-11(10)2)20-13-4-5-14(17)15(18)8-13/h4-8,19H,9H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 8.90n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of serotonin reuptake at SERT (unknown origin)


Bioorg Med Chem Lett 18: 6088-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.028
BindingDB Entry DOI: 10.7270/Q2RJ4JBK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50245791
PNG
(1-(4-chloro-2-(4-chloro-3-methylphenoxy)phenyl)-N-...)
Show SMILES CNCc1ccc(Cl)cc1Oc1ccc(Cl)c(C)c1
Show InChI InChI=1S/C15H15Cl2NO/c1-10-7-13(5-6-14(10)17)19-15-8-12(16)4-3-11(15)9-18-2/h3-8,18H,9H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9.04n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5HT2A receptor (unknown origin)


Bioorg Med Chem Lett 18: 6088-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.028
BindingDB Entry DOI: 10.7270/Q2RJ4JBK
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50246537
PNG
(1-(4-chloro-2-(3-chloro-4-methylphenoxy)phenyl)-N-...)
Show SMILES CNCc1ccc(Cl)cc1Oc1ccc(C)c(Cl)c1
Show InChI InChI=1S/C15H15Cl2NO/c1-10-3-6-13(8-14(10)17)19-15-7-12(16)5-4-11(15)9-18-2/h3-8,18H,9H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9.11n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Displacement of [3H]ketanserin from 5HT2A receptor (unknown origin)


Bioorg Med Chem Lett 18: 6088-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.028
BindingDB Entry DOI: 10.7270/Q2RJ4JBK
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50246531
PNG
(1-(4-chloro-2-(4-chlorophenoxy)phenyl)-N-methylmet...)
Show SMILES CNCc1ccc(Cl)cc1Oc1ccc(Cl)cc1
Show InChI InChI=1S/C14H13Cl2NO/c1-17-9-10-2-3-12(16)8-14(10)18-13-6-4-11(15)5-7-13/h2-8,17H,9H2,1H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9.20n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of serotonin reuptake at SERT (unknown origin)


Bioorg Med Chem Lett 18: 6088-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.028
BindingDB Entry DOI: 10.7270/Q2RJ4JBK
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50246373
PNG
(4-(3,4-dichlorophenoxy)-N-methyl-3-((methylamino)m...)
Show SMILES CNCc1cc(ccc1Oc1ccc(Cl)c(Cl)c1)S(=O)(=O)NC
Show InChI InChI=1S/C15H16Cl2N2O3S/c1-18-9-10-7-12(23(20,21)19-2)4-6-15(10)22-11-3-5-13(16)14(17)8-11/h3-8,18-19H,9H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9.35n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of serotonin reuptake at SERT (unknown origin)


Bioorg Med Chem Lett 18: 6088-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.028
BindingDB Entry DOI: 10.7270/Q2RJ4JBK
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50246321
PNG
(1-(2-(4-chlorophenoxy)-5-fluorophenyl)-N-methylmet...)
Show SMILES CNCc1cc(F)ccc1Oc1ccc(Cl)cc1
Show InChI InChI=1S/C14H13ClFNO/c1-17-9-10-8-12(16)4-7-14(10)18-13-5-2-11(15)3-6-13/h2-8,17H,9H2,1H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 9.47n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of serotonin reuptake at SERT (unknown origin)


Bioorg Med Chem Lett 18: 6088-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.028
BindingDB Entry DOI: 10.7270/Q2RJ4JBK
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50245795
PNG
(1-(4-chloro-2-(4-fluoro-3-(trifluoromethyl)phenoxy...)
Show SMILES CNCc1ccc(Cl)cc1Oc1ccc(F)c(c1)C(F)(F)F
Show InChI InChI=1S/C15H12ClF4NO/c1-21-8-9-2-3-10(16)6-14(9)22-11-4-5-13(17)12(7-11)15(18,19)20/h2-7,21H,8H2,1H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9.71n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of serotonin reuptake at SERT (unknown origin)


Bioorg Med Chem Lett 18: 6088-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.028
BindingDB Entry DOI: 10.7270/Q2RJ4JBK
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50246534
PNG
(1-(5-chloro-2-(3,4-dimethylphenoxy)phenyl)-N-methy...)
Show SMILES CNCc1cc(Cl)ccc1Oc1ccc(C)c(C)c1
Show InChI InChI=1S/C16H18ClNO/c1-11-4-6-15(8-12(11)2)19-16-7-5-14(17)9-13(16)10-18-3/h4-9,18H,10H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9.81n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of serotonin reuptake at SERT (unknown origin)


Bioorg Med Chem Lett 18: 6088-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.028
BindingDB Entry DOI: 10.7270/Q2RJ4JBK
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50246234
PNG
(1-(2-(3,4-dimethylphenoxy)phenyl)-N-methylmethanam...)
Show SMILES CNCc1ccccc1Oc1ccc(C)c(C)c1
Show InChI InChI=1S/C16H19NO/c1-12-8-9-15(10-13(12)2)18-16-7-5-4-6-14(16)11-17-3/h4-10,17H,11H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 12.8n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of serotonin reuptake at SERT (unknown origin)


Bioorg Med Chem Lett 18: 6088-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.028
BindingDB Entry DOI: 10.7270/Q2RJ4JBK
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50246235
PNG
(1-(2-(4-chlorophenoxy)phenyl)-N-methylmethanamine ...)
Show SMILES CNCc1ccccc1Oc1ccc(Cl)cc1
Show InChI InChI=1S/C14H14ClNO/c1-16-10-11-4-2-3-5-14(11)17-13-8-6-12(15)7-9-13/h2-9,16H,10H2,1H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 13.9n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of serotonin reuptake at SERT (unknown origin)


Bioorg Med Chem Lett 18: 6088-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.028
BindingDB Entry DOI: 10.7270/Q2RJ4JBK
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50246326
PNG
(1-(2-(3,4-dichlorophenoxy)-4,5-dimethoxyphenyl)-N-...)
Show SMILES CNCc1cc(OC)c(OC)cc1Oc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H17Cl2NO3/c1-19-9-10-6-15(20-2)16(21-3)8-14(10)22-11-4-5-12(17)13(18)7-11/h4-8,19H,9H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 14.1n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of serotonin reuptake at SERT (unknown origin)


Bioorg Med Chem Lett 18: 6088-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.028
BindingDB Entry DOI: 10.7270/Q2RJ4JBK
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50246480
PNG
(1-(4-chloro-2-(p-tolyloxy)phenyl)-N-methylmethanam...)
Show SMILES CNCc1ccc(Cl)cc1Oc1ccc(C)cc1
Show InChI InChI=1S/C15H16ClNO/c1-11-3-7-14(8-4-11)18-15-9-13(16)6-5-12(15)10-17-2/h3-9,17H,10H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of serotonin reuptake at SERT (unknown origin)


Bioorg Med Chem Lett 18: 6088-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.028
BindingDB Entry DOI: 10.7270/Q2RJ4JBK
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50246231
PNG
(1-(2-(3,4-dichlorophenoxy)-4-(trifluoromethyl)phen...)
Show SMILES CN(C)Cc1ccc(cc1Oc1ccc(Cl)c(Cl)c1)C(F)(F)F
Show InChI InChI=1S/C16H14Cl2F3NO/c1-22(2)9-10-3-4-11(16(19,20)21)7-15(10)23-12-5-6-13(17)14(18)8-12/h3-8H,9H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 17.1n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of serotonin reuptake at SERT (unknown origin)


Bioorg Med Chem Lett 18: 6088-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.028
BindingDB Entry DOI: 10.7270/Q2RJ4JBK
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50246430
PNG
(1-(2-(4-chloro-3-fluorophenoxy)-5-fluorophenyl)-N-...)
Show SMILES CNCc1cc(F)ccc1Oc1ccc(Cl)c(F)c1
Show InChI InChI=1S/C14H12ClF2NO/c1-18-8-9-6-10(16)2-5-14(9)19-11-3-4-12(15)13(17)7-11/h2-7,18H,8H2,1H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 19.3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of serotonin reuptake at SERT (unknown origin)


Bioorg Med Chem Lett 18: 6088-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.028
BindingDB Entry DOI: 10.7270/Q2RJ4JBK
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50246482
PNG
(1-(4-chloro-2-(4-chloro-3-ethylphenoxy)phenyl)-N-m...)
Show SMILES CCc1cc(Oc2cc(Cl)ccc2CNC)ccc1Cl
Show InChI InChI=1S/C16H17Cl2NO/c1-3-11-8-14(6-7-15(11)18)20-16-9-13(17)5-4-12(16)10-19-2/h4-9,19H,3,10H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 20.7n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of serotonin reuptake at SERT (unknown origin)


Bioorg Med Chem Lett 18: 6088-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.028
BindingDB Entry DOI: 10.7270/Q2RJ4JBK
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50246427
PNG
(1-(2-(3,4-dichlorophenoxy)-5-(trifluoromethyl)phen...)
Show SMILES CNCc1cc(ccc1Oc1ccc(Cl)c(Cl)c1)C(F)(F)F
Show InChI InChI=1S/C15H12Cl2F3NO/c1-21-8-9-6-10(15(18,19)20)2-5-14(9)22-11-3-4-12(16)13(17)7-11/h2-7,21H,8H2,1H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 21.8n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of serotonin reuptake at SERT (unknown origin)


Bioorg Med Chem Lett 18: 6088-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.028
BindingDB Entry DOI: 10.7270/Q2RJ4JBK
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50246281
PNG
(1-(2-(3,4-dichlorophenoxy)phenyl)-N-methylethanami...)
Show SMILES CNC(C)c1ccccc1Oc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C15H15Cl2NO/c1-10(18-2)12-5-3-4-6-15(12)19-11-7-8-13(16)14(17)9-11/h3-10,18H,1-2H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 23n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of serotonin reuptake at SERT (unknown origin)


Bioorg Med Chem Lett 18: 6088-92 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.028
BindingDB Entry DOI: 10.7270/Q2RJ4JBK
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 179 total )  |  Next  |  Last  >>
Jump to: