BindingDB logo
myBDB logout

PubMed code 16821783

Compile data set for download or QSAR
Found 60 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
Transporter


(Rattus norvegicus)
BDBM50190601
PNG
((2S,4R,5R)-2-benzhydryl-5-[(1H-indol-5-ylmethyl)-a...)
Show SMILES O[C@@H]1C[C@H](OC[C@H]1NCc1ccc2[nH]ccc2c1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C27H28N2O2/c30-25-16-26(27(20-7-3-1-4-8-20)21-9-5-2-6-10-21)31-18-24(25)29-17-19-11-12-23-22(15-19)13-14-28-23/h1-15,24-30H,16-18H2/t24-,25-,26+/m1/s1
Reactome pathway
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.10n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of NET-mediated [3H]NE uptake in rat cerebral cortex


J Med Chem 49: 4239-47 (2006)


Article DOI: 10.1021/jm0601699
BindingDB Entry DOI: 10.7270/Q2XS5V05
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)
BDBM50190607
PNG
((2S,4R,5R)-2-benzhydryl-5-(benzylamino)-tetrahydro...)
Show SMILES O[C@@H]1C[C@H](OC[C@H]1NCc1ccccc1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H27NO2/c27-23-16-24(28-18-22(23)26-17-19-10-4-1-5-11-19)25(20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,22-27H,16-18H2/t22-,23-,24+/m1/s1
Reactome pathway
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
4.90n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of NET-mediated [3H]NE uptake in rat cerebral cortex


J Med Chem 49: 4239-47 (2006)


Article DOI: 10.1021/jm0601699
BindingDB Entry DOI: 10.7270/Q2XS5V05
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)
BDBM50190603
PNG
(CHEMBL211077 | cis-(3S,6S)-(6-benzhydryl-tetrahydr...)
Show SMILES Oc1ccc(CN[C@H]2CC[C@H](OC2)C(c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C25H27NO2/c27-23-14-11-19(12-15-23)17-26-22-13-16-24(28-18-22)25(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-12,14-15,22,24-27H,13,16-18H2/t22-,24-/m0/s1
Reactome pathway
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of NET-mediated [3H]NE uptake in rat cerebral cortex


J Med Chem 49: 4239-47 (2006)


Article DOI: 10.1021/jm0601699
BindingDB Entry DOI: 10.7270/Q2XS5V05
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)
BDBM50190605
PNG
(CHEMBL209603 | cis-(3S-6S)-(6-benzhydryl-tetrahydr...)
Show SMILES C(N[C@H]1CC[C@H](OC1)C(c1ccccc1)c1ccccc1)c1ccc2[nH]ccc2c1
Show InChI InChI=1S/C27H28N2O/c1-3-7-21(8-4-1)27(22-9-5-2-6-10-22)26-14-12-24(19-30-26)29-18-20-11-13-25-23(17-20)15-16-28-25/h1-11,13,15-17,24,26-29H,12,14,18-19H2/t24-,26-/m0/s1
Reactome pathway
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
6.60n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of NET-mediated [3H]NE uptake in rat cerebral cortex


J Med Chem 49: 4239-47 (2006)


Article DOI: 10.1021/jm0601699
BindingDB Entry DOI: 10.7270/Q2XS5V05
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM22165
PNG
(1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-(3-pheny...)
Show SMILES Fc1ccc(cc1)C(OCCN1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C28H32F2N2O/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23/h1-3,5-6,8-15,28H,4,7,16-22H2
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
8.60n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of [3H]WIN 35428 binding to rat striatum DAT


J Med Chem 49: 4239-47 (2006)


Article DOI: 10.1021/jm0601699
BindingDB Entry DOI: 10.7270/Q2XS5V05
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)
BDBM50190606
PNG
((2S,4R,5R)-2-benzhydryl-5-(4-hydroxy-benzylamino)-...)
Show SMILES O[C@@H]1C[C@H](OC[C@H]1NCc1ccc(O)cc1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H27NO3/c27-21-13-11-18(12-14-21)16-26-22-17-29-24(15-23(22)28)25(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-14,22-28H,15-17H2/t22-,23-,24+/m1/s1
Reactome pathway
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of NET-mediated [3H]NE uptake in rat cerebral cortex


J Med Chem 49: 4239-47 (2006)


Article DOI: 10.1021/jm0601699
BindingDB Entry DOI: 10.7270/Q2XS5V05
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM22165
PNG
(1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-(3-pheny...)
Show SMILES Fc1ccc(cc1)C(OCCN1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C28H32F2N2O/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23/h1-3,5-6,8-15,28H,4,7,16-22H2
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents


Similars

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



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of DAT-mediated [3H]DA uptake in rat striatum


J Med Chem 49: 4239-47 (2006)


Article DOI: 10.1021/jm0601699
BindingDB Entry DOI: 10.7270/Q2XS5V05
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50190600
PNG
(CHEMBL378437 | cis-(3R,6R)-(6-benzhydryl-tetrahydr...)
Show SMILES C(N[C@@H]1CC[C@@H](OC1)C(c1ccccc1)c1ccccc1)c1ccc2[nH]ccc2c1
Show InChI InChI=1S/C27H28N2O/c1-3-7-21(8-4-1)27(22-9-5-2-6-10-22)26-14-12-24(19-30-26)29-18-20-11-13-25-23(17-20)15-16-28-25/h1-11,13,15-17,24,26-29H,12,14,18-19H2/t24-,26-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of SERT-mediated [3H]5HT uptake in rat cerebral cortex


J Med Chem 49: 4239-47 (2006)


Article DOI: 10.1021/jm0601699
BindingDB Entry DOI: 10.7270/Q2XS5V05
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)
BDBM50190610
PNG
((2R,4S,5S)-2-benzhydryl-5-[(1H-indol-5-ylmethyl)-a...)
Show SMILES O[C@H]1C[C@@H](OC[C@@H]1NCc1ccc2[nH]ccc2c1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C27H28N2O2/c30-25-16-26(27(20-7-3-1-4-8-20)21-9-5-2-6-10-21)31-18-24(25)29-17-19-11-12-23-22(15-19)13-14-28-23/h1-15,24-30H,16-18H2/t24-,25-,26+/m0/s1
Reactome pathway
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
13n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of NET-mediated [3H]NE uptake in rat cerebral cortex


J Med Chem 49: 4239-47 (2006)


Article DOI: 10.1021/jm0601699
BindingDB Entry DOI: 10.7270/Q2XS5V05
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)
BDBM50190608
PNG
(CHEMBL213627 | cis-(3S,6S)-(6-benzhydryl-tetrahydr...)
Show SMILES Nc1ccc(CN[C@H]2CC[C@H](OC2)C(c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C25H28N2O/c26-22-13-11-19(12-14-22)17-27-23-15-16-24(28-18-23)25(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-14,23-25,27H,15-18,26H2/t23-,24-/m0/s1
Reactome pathway
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
13n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of NET-mediated [3H]NE uptake in rat cerebral cortex


J Med Chem 49: 4239-47 (2006)


Article DOI: 10.1021/jm0601699
BindingDB Entry DOI: 10.7270/Q2XS5V05
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50190605
PNG
(CHEMBL209603 | cis-(3S-6S)-(6-benzhydryl-tetrahydr...)
Show SMILES C(N[C@H]1CC[C@H](OC1)C(c1ccccc1)c1ccccc1)c1ccc2[nH]ccc2c1
Show InChI InChI=1S/C27H28N2O/c1-3-7-21(8-4-1)27(22-9-5-2-6-10-22)26-14-12-24(19-30-26)29-18-20-11-13-25-23(17-20)15-16-28-25/h1-11,13,15-17,24,26-29H,12,14,18-19H2/t24-,26-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of SERT-mediated [3H]5HT uptake in rat cerebral cortex


J Med Chem 49: 4239-47 (2006)


Article DOI: 10.1021/jm0601699
BindingDB Entry DOI: 10.7270/Q2XS5V05
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50190601
PNG
((2S,4R,5R)-2-benzhydryl-5-[(1H-indol-5-ylmethyl)-a...)
Show SMILES O[C@@H]1C[C@H](OC[C@H]1NCc1ccc2[nH]ccc2c1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C27H28N2O2/c30-25-16-26(27(20-7-3-1-4-8-20)21-9-5-2-6-10-21)31-18-24(25)29-17-19-11-12-23-22(15-19)13-14-28-23/h1-15,24-30H,16-18H2/t24-,25-,26+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of SERT-mediated [3H]5HT uptake in rat cerebral cortex


J Med Chem 49: 4239-47 (2006)


Article DOI: 10.1021/jm0601699
BindingDB Entry DOI: 10.7270/Q2XS5V05
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50190608
PNG
(CHEMBL213627 | cis-(3S,6S)-(6-benzhydryl-tetrahydr...)
Show SMILES Nc1ccc(CN[C@H]2CC[C@H](OC2)C(c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C25H28N2O/c26-22-13-11-19(12-14-22)17-27-23-15-16-24(28-18-23)25(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-14,23-25,27H,15-18,26H2/t23-,24-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of SERT-mediated [3H]5HT uptake in rat cerebral cortex


J Med Chem 49: 4239-47 (2006)


Article DOI: 10.1021/jm0601699
BindingDB Entry DOI: 10.7270/Q2XS5V05
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)
BDBM50190609
PNG
((2S,4R,5R)-5-(4-methoxybenzylamino)-2-benzhydryl-t...)
Show SMILES COc1ccc(CN[C@@H]2CO[C@@H](C[C@H]2O)C(c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C26H29NO3/c1-29-22-14-12-19(13-15-22)17-27-23-18-30-25(16-24(23)28)26(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-15,23-28H,16-18H2,1H3/t23-,24-,25+/m1/s1
Reactome pathway
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of NET-mediated [3H]NE uptake in rat cerebral cortex


J Med Chem 49: 4239-47 (2006)


Article DOI: 10.1021/jm0601699
BindingDB Entry DOI: 10.7270/Q2XS5V05
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)
BDBM50190600
PNG
(CHEMBL378437 | cis-(3R,6R)-(6-benzhydryl-tetrahydr...)
Show SMILES C(N[C@@H]1CC[C@@H](OC1)C(c1ccccc1)c1ccccc1)c1ccc2[nH]ccc2c1
Show InChI InChI=1S/C27H28N2O/c1-3-7-21(8-4-1)27(22-9-5-2-6-10-22)26-14-12-24(19-30-26)29-18-20-11-13-25-23(17-20)15-16-28-25/h1-11,13,15-17,24,26-29H,12,14,18-19H2/t24-,26-/m1/s1
Reactome pathway
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of NET-mediated [3H]NE uptake in rat cerebral cortex


J Med Chem 49: 4239-47 (2006)


Article DOI: 10.1021/jm0601699
BindingDB Entry DOI: 10.7270/Q2XS5V05
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50190611
PNG
(CHEMBL211302 | cis-(3S,6S)-(6-benzhydryl-tetrahydr...)
Show SMILES [O-][N+](=O)c1ccc(CN[C@H]2CC[C@H](OC2)C(c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C25H26N2O3/c28-27(29)23-14-11-19(12-15-23)17-26-22-13-16-24(30-18-22)25(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-12,14-15,22,24-26H,13,16-18H2/t22-,24-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of SERT-mediated [3H]5HT uptake in rat cerebral cortex


J Med Chem 49: 4239-47 (2006)


Article DOI: 10.1021/jm0601699
BindingDB Entry DOI: 10.7270/Q2XS5V05
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50190609
PNG
((2S,4R,5R)-5-(4-methoxybenzylamino)-2-benzhydryl-t...)
Show SMILES COc1ccc(CN[C@@H]2CO[C@@H](C[C@H]2O)C(c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C26H29NO3/c1-29-22-14-12-19(13-15-22)17-27-23-18-30-25(16-24(23)28)26(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-15,23-28H,16-18H2,1H3/t23-,24-,25+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of SERT-mediated [3H]5HT uptake in rat cerebral cortex


J Med Chem 49: 4239-47 (2006)


Article DOI: 10.1021/jm0601699
BindingDB Entry DOI: 10.7270/Q2XS5V05
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)
BDBM50190598
PNG
(CHEMBL209843 | cis-(3R,6R)-(6-benzhydryl-tetrahydr...)
Show SMILES Nc1ccc(CN[C@@H]2CC[C@@H](OC2)C(c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C25H28N2O/c26-22-13-11-19(12-14-22)17-27-23-15-16-24(28-18-23)25(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-14,23-25,27H,15-18,26H2/t23-,24-/m1/s1
Reactome pathway
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of NET-mediated [3H]NE uptake in rat cerebral cortex


J Med Chem 49: 4239-47 (2006)


Article DOI: 10.1021/jm0601699
BindingDB Entry DOI: 10.7270/Q2XS5V05
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50190611
PNG
(CHEMBL211302 | cis-(3S,6S)-(6-benzhydryl-tetrahydr...)
Show SMILES [O-][N+](=O)c1ccc(CN[C@H]2CC[C@H](OC2)C(c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C25H26N2O3/c28-27(29)23-14-11-19(12-15-23)17-26-22-13-16-24(30-18-22)25(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-12,14-15,22,24-26H,13,16-18H2/t22-,24-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
35n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of DAT-mediated [3H]DA uptake in rat striatum


J Med Chem 49: 4239-47 (2006)


Article DOI: 10.1021/jm0601699
BindingDB Entry DOI: 10.7270/Q2XS5V05
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50190603
PNG
(CHEMBL211077 | cis-(3S,6S)-(6-benzhydryl-tetrahydr...)
Show SMILES Oc1ccc(CN[C@H]2CC[C@H](OC2)C(c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C25H27NO2/c27-23-14-11-19(12-15-23)17-26-22-13-16-24(28-18-22)25(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-12,14-15,22,24-27H,13,16-18H2/t22-,24-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
38n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of SERT-mediated [3H]5HT uptake in rat cerebral cortex


J Med Chem 49: 4239-47 (2006)


Article DOI: 10.1021/jm0601699
BindingDB Entry DOI: 10.7270/Q2XS5V05
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50190611
PNG
(CHEMBL211302 | cis-(3S,6S)-(6-benzhydryl-tetrahydr...)
Show SMILES [O-][N+](=O)c1ccc(CN[C@H]2CC[C@H](OC2)C(c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C25H26N2O3/c28-27(29)23-14-11-19(12-15-23)17-26-22-13-16-24(30-18-22)25(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-12,14-15,22,24-26H,13,16-18H2/t22-,24-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
38n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of [3H]WIN 35428 binding to rat striatum DAT


J Med Chem 49: 4239-47 (2006)


Article DOI: 10.1021/jm0601699
BindingDB Entry DOI: 10.7270/Q2XS5V05
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)
BDBM50190602
PNG
(CHEMBL209809 | cis-(3R,6R)-(6-benzhydryl-tetrahydr...)
Show SMILES Oc1ccc(CN[C@@H]2CC[C@@H](OC2)C(c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C25H27NO2/c27-23-14-11-19(12-15-23)17-26-22-13-16-24(28-18-22)25(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-12,14-15,22,24-27H,13,16-18H2/t22-,24-/m1/s1
Reactome pathway
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of NET-mediated [3H]NE uptake in rat cerebral cortex


J Med Chem 49: 4239-47 (2006)


Article DOI: 10.1021/jm0601699
BindingDB Entry DOI: 10.7270/Q2XS5V05
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50190598
PNG
(CHEMBL209843 | cis-(3R,6R)-(6-benzhydryl-tetrahydr...)
Show SMILES Nc1ccc(CN[C@@H]2CC[C@@H](OC2)C(c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C25H28N2O/c26-22-13-11-19(12-14-22)17-27-23-15-16-24(28-18-23)25(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-14,23-25,27H,15-18,26H2/t23-,24-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
44n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of DAT-mediated [3H]DA uptake in rat striatum


J Med Chem 49: 4239-47 (2006)


Article DOI: 10.1021/jm0601699
BindingDB Entry DOI: 10.7270/Q2XS5V05
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50190598
PNG
(CHEMBL209843 | cis-(3R,6R)-(6-benzhydryl-tetrahydr...)
Show SMILES Nc1ccc(CN[C@@H]2CC[C@@H](OC2)C(c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C25H28N2O/c26-22-13-11-19(12-14-22)17-27-23-15-16-24(28-18-23)25(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-14,23-25,27H,15-18,26H2/t23-,24-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
46n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of SERT-mediated [3H]5HT uptake in rat cerebral cortex


J Med Chem 49: 4239-47 (2006)


Article DOI: 10.1021/jm0601699
BindingDB Entry DOI: 10.7270/Q2XS5V05
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)
BDBM50190611
PNG
(CHEMBL211302 | cis-(3S,6S)-(6-benzhydryl-tetrahydr...)
Show SMILES [O-][N+](=O)c1ccc(CN[C@H]2CC[C@H](OC2)C(c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C25H26N2O3/c28-27(29)23-14-11-19(12-15-23)17-26-22-13-16-24(30-18-22)25(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-12,14-15,22,24-26H,13,16-18H2/t22-,24-/m0/s1
Reactome pathway
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
54n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of NET-mediated [3H]NE uptake in rat cerebral cortex


J Med Chem 49: 4239-47 (2006)


Article DOI: 10.1021/jm0601699
BindingDB Entry DOI: 10.7270/Q2XS5V05
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50190604
PNG
(CHEMBL209651 | cis-(3R,6R)-(6-benzhydryl-tetrahydr...)
Show SMILES [O-][N+](=O)c1ccc(CN[C@@H]2CC[C@@H](OC2)C(c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C25H26N2O3/c28-27(29)23-14-11-19(12-15-23)17-26-22-13-16-24(30-18-22)25(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-12,14-15,22,24-26H,13,16-18H2/t22-,24-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of DAT-mediated [3H]DA uptake in rat striatum


J Med Chem 49: 4239-47 (2006)


Article DOI: 10.1021/jm0601699
BindingDB Entry DOI: 10.7270/Q2XS5V05
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50190608
PNG
(CHEMBL213627 | cis-(3S,6S)-(6-benzhydryl-tetrahydr...)
Show SMILES Nc1ccc(CN[C@H]2CC[C@H](OC2)C(c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C25H28N2O/c26-22-13-11-19(12-14-22)17-27-23-15-16-24(28-18-23)25(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-14,23-25,27H,15-18,26H2/t23-,24-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of DAT-mediated [3H]DA uptake in rat striatum


J Med Chem 49: 4239-47 (2006)


Article DOI: 10.1021/jm0601699
BindingDB Entry DOI: 10.7270/Q2XS5V05
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50190604
PNG
(CHEMBL209651 | cis-(3R,6R)-(6-benzhydryl-tetrahydr...)
Show SMILES [O-][N+](=O)c1ccc(CN[C@@H]2CC[C@@H](OC2)C(c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C25H26N2O3/c28-27(29)23-14-11-19(12-15-23)17-26-22-13-16-24(30-18-22)25(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-12,14-15,22,24-26H,13,16-18H2/t22-,24-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
65n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of [3H]WIN 35428 binding to rat striatum DAT


J Med Chem 49: 4239-47 (2006)


Article DOI: 10.1021/jm0601699
BindingDB Entry DOI: 10.7270/Q2XS5V05
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50190604
PNG
(CHEMBL209651 | cis-(3R,6R)-(6-benzhydryl-tetrahydr...)
Show SMILES [O-][N+](=O)c1ccc(CN[C@@H]2CC[C@@H](OC2)C(c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C25H26N2O3/c28-27(29)23-14-11-19(12-15-23)17-26-22-13-16-24(30-18-22)25(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-12,14-15,22,24-26H,13,16-18H2/t22-,24-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
65n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of SERT-mediated [3H]5HT uptake in rat cerebral cortex


J Med Chem 49: 4239-47 (2006)


Article DOI: 10.1021/jm0601699
BindingDB Entry DOI: 10.7270/Q2XS5V05
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50190602
PNG
(CHEMBL209809 | cis-(3R,6R)-(6-benzhydryl-tetrahydr...)
Show SMILES Oc1ccc(CN[C@@H]2CC[C@@H](OC2)C(c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C25H27NO2/c27-23-14-11-19(12-15-23)17-26-22-13-16-24(28-18-22)25(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-12,14-15,22,24-27H,13,16-18H2/t22-,24-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
67n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of DAT-mediated [3H]DA uptake in rat striatum


J Med Chem 49: 4239-47 (2006)


Article DOI: 10.1021/jm0601699
BindingDB Entry DOI: 10.7270/Q2XS5V05
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)
BDBM50190604
PNG
(CHEMBL209651 | cis-(3R,6R)-(6-benzhydryl-tetrahydr...)
Show SMILES [O-][N+](=O)c1ccc(CN[C@@H]2CC[C@@H](OC2)C(c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C25H26N2O3/c28-27(29)23-14-11-19(12-15-23)17-26-22-13-16-24(30-18-22)25(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-12,14-15,22,24-26H,13,16-18H2/t22-,24-/m1/s1
Reactome pathway
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
82n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of NET-mediated [3H]NE uptake in rat cerebral cortex


J Med Chem 49: 4239-47 (2006)


Article DOI: 10.1021/jm0601699
BindingDB Entry DOI: 10.7270/Q2XS5V05
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50190603
PNG
(CHEMBL211077 | cis-(3S,6S)-(6-benzhydryl-tetrahydr...)
Show SMILES Oc1ccc(CN[C@H]2CC[C@H](OC2)C(c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C25H27NO2/c27-23-14-11-19(12-15-23)17-26-22-13-16-24(28-18-22)25(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-12,14-15,22,24-27H,13,16-18H2/t22-,24-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of DAT-mediated [3H]DA uptake in rat striatum


J Med Chem 49: 4239-47 (2006)


Article DOI: 10.1021/jm0601699
BindingDB Entry DOI: 10.7270/Q2XS5V05
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM22165
PNG
(1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-(3-pheny...)
Show SMILES Fc1ccc(cc1)C(OCCN1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C28H32F2N2O/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23/h1-3,5-6,8-15,28H,4,7,16-22H2
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
91n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of SERT-mediated [3H]5HT uptake in rat cerebral cortex


J Med Chem 49: 4239-47 (2006)


Article DOI: 10.1021/jm0601699
BindingDB Entry DOI: 10.7270/Q2XS5V05
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50190599
PNG
((2R,4S, 5S)-2-benzhydryl-5-(4-hydroxy-benzylamino)...)
Show SMILES O[C@H]1C[C@@H](OC[C@@H]1NCc1ccc(O)cc1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H27NO3/c27-21-13-11-18(12-14-21)16-26-22-17-29-24(15-23(22)28)25(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-14,22-28H,15-17H2/t22-,23-,24+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
92n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of DAT-mediated [3H]DA uptake in rat striatum


J Med Chem 49: 4239-47 (2006)


Article DOI: 10.1021/jm0601699
BindingDB Entry DOI: 10.7270/Q2XS5V05
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)
BDBM50190599
PNG
((2R,4S, 5S)-2-benzhydryl-5-(4-hydroxy-benzylamino)...)
Show SMILES O[C@H]1C[C@@H](OC[C@@H]1NCc1ccc(O)cc1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H27NO3/c27-21-13-11-18(12-14-21)16-26-22-17-29-24(15-23(22)28)25(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-14,22-28H,15-17H2/t22-,23-,24+/m0/s1
Reactome pathway
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
94n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of NET-mediated [3H]NE uptake in rat cerebral cortex


J Med Chem 49: 4239-47 (2006)


Article DOI: 10.1021/jm0601699
BindingDB Entry DOI: 10.7270/Q2XS5V05
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus)
BDBM22165
PNG
(1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-(3-pheny...)
Show SMILES Fc1ccc(cc1)C(OCCN1CCN(CCCc2ccccc2)CC1)c1ccc(F)cc1
Show InChI InChI=1S/C28H32F2N2O/c29-26-12-8-24(9-13-26)28(25-10-14-27(30)15-11-25)33-22-21-32-19-17-31(18-20-32)16-4-7-23-5-2-1-3-6-23/h1-3,5-6,8-15,28H,4,7,16-22H2
Reactome pathway
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
102n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of NET-mediated [3H]NE uptake in rat cerebral cortex


J Med Chem 49: 4239-47 (2006)


Article DOI: 10.1021/jm0601699
BindingDB Entry DOI: 10.7270/Q2XS5V05
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50190602
PNG
(CHEMBL209809 | cis-(3R,6R)-(6-benzhydryl-tetrahydr...)
Show SMILES Oc1ccc(CN[C@@H]2CC[C@@H](OC2)C(c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C25H27NO2/c27-23-14-11-19(12-15-23)17-26-22-13-16-24(28-18-22)25(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-12,14-15,22,24-27H,13,16-18H2/t22-,24-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
114n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of [3H]WIN 35428 binding to rat striatum DAT


J Med Chem 49: 4239-47 (2006)


Article DOI: 10.1021/jm0601699
BindingDB Entry DOI: 10.7270/Q2XS5V05
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50190609
PNG
((2S,4R,5R)-5-(4-methoxybenzylamino)-2-benzhydryl-t...)
Show SMILES COc1ccc(CN[C@@H]2CO[C@@H](C[C@H]2O)C(c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C26H29NO3/c1-29-22-14-12-19(13-15-22)17-27-23-18-30-25(16-24(23)28)26(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-15,23-28H,16-18H2,1H3/t23-,24-,25+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
115n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of DAT-mediated [3H]DA uptake in rat striatum


J Med Chem 49: 4239-47 (2006)


Article DOI: 10.1021/jm0601699
BindingDB Entry DOI: 10.7270/Q2XS5V05
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50190598
PNG
(CHEMBL209843 | cis-(3R,6R)-(6-benzhydryl-tetrahydr...)
Show SMILES Nc1ccc(CN[C@@H]2CC[C@@H](OC2)C(c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C25H28N2O/c26-22-13-11-19(12-14-22)17-27-23-15-16-24(28-18-23)25(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-14,23-25,27H,15-18,26H2/t23-,24-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
118n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of [3H]WIN 35428 binding to rat striatum DAT


J Med Chem 49: 4239-47 (2006)


Article DOI: 10.1021/jm0601699
BindingDB Entry DOI: 10.7270/Q2XS5V05
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50190601
PNG
((2S,4R,5R)-2-benzhydryl-5-[(1H-indol-5-ylmethyl)-a...)
Show SMILES O[C@@H]1C[C@H](OC[C@H]1NCc1ccc2[nH]ccc2c1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C27H28N2O2/c30-25-16-26(27(20-7-3-1-4-8-20)21-9-5-2-6-10-21)31-18-24(25)29-17-19-11-12-23-22(15-19)13-14-28-23/h1-15,24-30H,16-18H2/t24-,25-,26+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
120n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of DAT-mediated [3H]DA uptake in rat striatum


J Med Chem 49: 4239-47 (2006)


Article DOI: 10.1021/jm0601699
BindingDB Entry DOI: 10.7270/Q2XS5V05
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50190599
PNG
((2R,4S, 5S)-2-benzhydryl-5-(4-hydroxy-benzylamino)...)
Show SMILES O[C@H]1C[C@@H](OC[C@@H]1NCc1ccc(O)cc1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H27NO3/c27-21-13-11-18(12-14-21)16-26-22-17-29-24(15-23(22)28)25(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-14,22-28H,15-17H2/t22-,23-,24+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
125n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of [3H]WIN 35428 binding to rat striatum DAT


J Med Chem 49: 4239-47 (2006)


Article DOI: 10.1021/jm0601699
BindingDB Entry DOI: 10.7270/Q2XS5V05
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50190600
PNG
(CHEMBL378437 | cis-(3R,6R)-(6-benzhydryl-tetrahydr...)
Show SMILES C(N[C@@H]1CC[C@@H](OC1)C(c1ccccc1)c1ccccc1)c1ccc2[nH]ccc2c1
Show InChI InChI=1S/C27H28N2O/c1-3-7-21(8-4-1)27(22-9-5-2-6-10-22)26-14-12-24(19-30-26)29-18-20-11-13-25-23(17-20)15-16-28-25/h1-11,13,15-17,24,26-29H,12,14,18-19H2/t24-,26-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
142n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of DAT-mediated [3H]DA uptake in rat striatum


J Med Chem 49: 4239-47 (2006)


Article DOI: 10.1021/jm0601699
BindingDB Entry DOI: 10.7270/Q2XS5V05
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50190608
PNG
(CHEMBL213627 | cis-(3S,6S)-(6-benzhydryl-tetrahydr...)
Show SMILES Nc1ccc(CN[C@H]2CC[C@H](OC2)C(c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C25H28N2O/c26-22-13-11-19(12-14-22)17-27-23-15-16-24(28-18-23)25(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-14,23-25,27H,15-18,26H2/t23-,24-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
142n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of [3H]WIN 35428 binding to rat striatum DAT


J Med Chem 49: 4239-47 (2006)


Article DOI: 10.1021/jm0601699
BindingDB Entry DOI: 10.7270/Q2XS5V05
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50190606
PNG
((2S,4R,5R)-2-benzhydryl-5-(4-hydroxy-benzylamino)-...)
Show SMILES O[C@@H]1C[C@H](OC[C@H]1NCc1ccc(O)cc1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H27NO3/c27-21-13-11-18(12-14-21)16-26-22-17-29-24(15-23(22)28)25(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-14,22-28H,15-17H2/t22-,23-,24+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
172n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of DAT-mediated [3H]DA uptake in rat striatum


J Med Chem 49: 4239-47 (2006)


Article DOI: 10.1021/jm0601699
BindingDB Entry DOI: 10.7270/Q2XS5V05
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50190609
PNG
((2S,4R,5R)-5-(4-methoxybenzylamino)-2-benzhydryl-t...)
Show SMILES COc1ccc(CN[C@@H]2CO[C@@H](C[C@H]2O)C(c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C26H29NO3/c1-29-22-14-12-19(13-15-22)17-27-23-18-30-25(16-24(23)28)26(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-15,23-28H,16-18H2,1H3/t23-,24-,25+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
183n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of [3H]WIN 35428 binding to rat striatum DAT


J Med Chem 49: 4239-47 (2006)


Article DOI: 10.1021/jm0601699
BindingDB Entry DOI: 10.7270/Q2XS5V05
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50190610
PNG
((2R,4S,5S)-2-benzhydryl-5-[(1H-indol-5-ylmethyl)-a...)
Show SMILES O[C@H]1C[C@@H](OC[C@@H]1NCc1ccc2[nH]ccc2c1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C27H28N2O2/c30-25-16-26(27(20-7-3-1-4-8-20)21-9-5-2-6-10-21)31-18-24(25)29-17-19-11-12-23-22(15-19)13-14-28-23/h1-15,24-30H,16-18H2/t24-,25-,26+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
184n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of DAT-mediated [3H]DA uptake in rat striatum


J Med Chem 49: 4239-47 (2006)


Article DOI: 10.1021/jm0601699
BindingDB Entry DOI: 10.7270/Q2XS5V05
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50190602
PNG
(CHEMBL209809 | cis-(3R,6R)-(6-benzhydryl-tetrahydr...)
Show SMILES Oc1ccc(CN[C@@H]2CC[C@@H](OC2)C(c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C25H27NO2/c27-23-14-11-19(12-15-23)17-26-22-13-16-24(28-18-22)25(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-12,14-15,22,24-27H,13,16-18H2/t22-,24-/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
187n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of SERT-mediated [3H]5HT uptake in rat cerebral cortex


J Med Chem 49: 4239-47 (2006)


Article DOI: 10.1021/jm0601699
BindingDB Entry DOI: 10.7270/Q2XS5V05
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50190605
PNG
(CHEMBL209603 | cis-(3S-6S)-(6-benzhydryl-tetrahydr...)
Show SMILES C(N[C@H]1CC[C@H](OC1)C(c1ccccc1)c1ccccc1)c1ccc2[nH]ccc2c1
Show InChI InChI=1S/C27H28N2O/c1-3-7-21(8-4-1)27(22-9-5-2-6-10-22)26-14-12-24(19-30-26)29-18-20-11-13-25-23(17-20)15-16-28-25/h1-11,13,15-17,24,26-29H,12,14,18-19H2/t24-,26-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
214n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of DAT-mediated [3H]DA uptake in rat striatum


J Med Chem 49: 4239-47 (2006)


Article DOI: 10.1021/jm0601699
BindingDB Entry DOI: 10.7270/Q2XS5V05
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50190610
PNG
((2R,4S,5S)-2-benzhydryl-5-[(1H-indol-5-ylmethyl)-a...)
Show SMILES O[C@H]1C[C@@H](OC[C@@H]1NCc1ccc2[nH]ccc2c1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C27H28N2O2/c30-25-16-26(27(20-7-3-1-4-8-20)21-9-5-2-6-10-21)31-18-24(25)29-17-19-11-12-23-22(15-19)13-14-28-23/h1-15,24-30H,16-18H2/t24-,25-,26+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
223n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of SERT-mediated [3H]5HT uptake in rat cerebral cortex


J Med Chem 49: 4239-47 (2006)


Article DOI: 10.1021/jm0601699
BindingDB Entry DOI: 10.7270/Q2XS5V05
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50190603
PNG
(CHEMBL211077 | cis-(3S,6S)-(6-benzhydryl-tetrahydr...)
Show SMILES Oc1ccc(CN[C@H]2CC[C@H](OC2)C(c2ccccc2)c2ccccc2)cc1
Show InChI InChI=1S/C25H27NO2/c27-23-14-11-19(12-15-23)17-26-22-13-16-24(28-18-22)25(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-12,14-15,22,24-27H,13,16-18H2/t22-,24-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
226n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of [3H]WIN 35428 binding to rat striatum DAT


J Med Chem 49: 4239-47 (2006)


Article DOI: 10.1021/jm0601699
BindingDB Entry DOI: 10.7270/Q2XS5V05
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50190606
PNG
((2S,4R,5R)-2-benzhydryl-5-(4-hydroxy-benzylamino)-...)
Show SMILES O[C@@H]1C[C@H](OC[C@H]1NCc1ccc(O)cc1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H27NO3/c27-21-13-11-18(12-14-21)16-26-22-17-29-24(15-23(22)28)25(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-14,22-28H,15-17H2/t22-,23-,24+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
234n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of [3H]WIN 35428 binding to rat striatum DAT


J Med Chem 49: 4239-47 (2006)


Article DOI: 10.1021/jm0601699
BindingDB Entry DOI: 10.7270/Q2XS5V05
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50190606
PNG
((2S,4R,5R)-2-benzhydryl-5-(4-hydroxy-benzylamino)-...)
Show SMILES O[C@@H]1C[C@H](OC[C@H]1NCc1ccc(O)cc1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H27NO3/c27-21-13-11-18(12-14-21)16-26-22-17-29-24(15-23(22)28)25(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-14,22-28H,15-17H2/t22-,23-,24+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
237n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of SERT-mediated [3H]5HT uptake in rat cerebral cortex


J Med Chem 49: 4239-47 (2006)


Article DOI: 10.1021/jm0601699
BindingDB Entry DOI: 10.7270/Q2XS5V05
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50190605
PNG
(CHEMBL209603 | cis-(3S-6S)-(6-benzhydryl-tetrahydr...)
Show SMILES C(N[C@H]1CC[C@H](OC1)C(c1ccccc1)c1ccccc1)c1ccc2[nH]ccc2c1
Show InChI InChI=1S/C27H28N2O/c1-3-7-21(8-4-1)27(22-9-5-2-6-10-22)26-14-12-24(19-30-26)29-18-20-11-13-25-23(17-20)15-16-28-25/h1-11,13,15-17,24,26-29H,12,14,18-19H2/t24-,26-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
338n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of [3H]WIN 35428 binding to rat striatum DAT


J Med Chem 49: 4239-47 (2006)


Article DOI: 10.1021/jm0601699
BindingDB Entry DOI: 10.7270/Q2XS5V05
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50190610
PNG
((2R,4S,5S)-2-benzhydryl-5-[(1H-indol-5-ylmethyl)-a...)
Show SMILES O[C@H]1C[C@@H](OC[C@@H]1NCc1ccc2[nH]ccc2c1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C27H28N2O2/c30-25-16-26(27(20-7-3-1-4-8-20)21-9-5-2-6-10-21)31-18-24(25)29-17-19-11-12-23-22(15-19)13-14-28-23/h1-15,24-30H,16-18H2/t24-,25-,26+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
399n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of [3H]WIN 35428 binding to rat striatum DAT


J Med Chem 49: 4239-47 (2006)


Article DOI: 10.1021/jm0601699
BindingDB Entry DOI: 10.7270/Q2XS5V05
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50190607
PNG
((2S,4R,5R)-2-benzhydryl-5-(benzylamino)-tetrahydro...)
Show SMILES O[C@@H]1C[C@H](OC[C@H]1NCc1ccccc1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H27NO2/c27-23-16-24(28-18-22(23)26-17-19-10-4-1-5-11-19)25(20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,22-27H,16-18H2/t22-,23-,24+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
446n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of DAT-mediated [3H]DA uptake in rat striatum


J Med Chem 49: 4239-47 (2006)


Article DOI: 10.1021/jm0601699
BindingDB Entry DOI: 10.7270/Q2XS5V05
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50190600
PNG
(CHEMBL378437 | cis-(3R,6R)-(6-benzhydryl-tetrahydr...)
Show SMILES C(N[C@@H]1CC[C@@H](OC1)C(c1ccccc1)c1ccccc1)c1ccc2[nH]ccc2c1
Show InChI InChI=1S/C27H28N2O/c1-3-7-21(8-4-1)27(22-9-5-2-6-10-22)26-14-12-24(19-30-26)29-18-20-11-13-25-23(17-20)15-16-28-25/h1-11,13,15-17,24,26-29H,12,14,18-19H2/t24-,26-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
467n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of [3H]WIN 35428 binding to rat striatum DAT


J Med Chem 49: 4239-47 (2006)


Article DOI: 10.1021/jm0601699
BindingDB Entry DOI: 10.7270/Q2XS5V05
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50190601
PNG
((2S,4R,5R)-2-benzhydryl-5-[(1H-indol-5-ylmethyl)-a...)
Show SMILES O[C@@H]1C[C@H](OC[C@H]1NCc1ccc2[nH]ccc2c1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C27H28N2O2/c30-25-16-26(27(20-7-3-1-4-8-20)21-9-5-2-6-10-21)31-18-24(25)29-17-19-11-12-23-22(15-19)13-14-28-23/h1-15,24-30H,16-18H2/t24-,25-,26+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
570n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of [3H]WIN 35428 binding to rat striatum DAT


J Med Chem 49: 4239-47 (2006)


Article DOI: 10.1021/jm0601699
BindingDB Entry DOI: 10.7270/Q2XS5V05
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50190607
PNG
((2S,4R,5R)-2-benzhydryl-5-(benzylamino)-tetrahydro...)
Show SMILES O[C@@H]1C[C@H](OC[C@H]1NCc1ccccc1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H27NO2/c27-23-16-24(28-18-22(23)26-17-19-10-4-1-5-11-19)25(20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,22-27H,16-18H2/t22-,23-,24+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
707n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of SERT-mediated [3H]5HT uptake in rat cerebral cortex


J Med Chem 49: 4239-47 (2006)


Article DOI: 10.1021/jm0601699
BindingDB Entry DOI: 10.7270/Q2XS5V05
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Rattus norvegicus (rat))
BDBM50190607
PNG
((2S,4R,5R)-2-benzhydryl-5-(benzylamino)-tetrahydro...)
Show SMILES O[C@@H]1C[C@H](OC[C@H]1NCc1ccccc1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H27NO2/c27-23-16-24(28-18-22(23)26-17-19-10-4-1-5-11-19)25(20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,22-27H,16-18H2/t22-,23-,24+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.50E+3n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of [3H]WIN 35428 binding to rat striatum DAT


J Med Chem 49: 4239-47 (2006)


Article DOI: 10.1021/jm0601699
BindingDB Entry DOI: 10.7270/Q2XS5V05
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50190599
PNG
((2R,4S, 5S)-2-benzhydryl-5-(4-hydroxy-benzylamino)...)
Show SMILES O[C@H]1C[C@@H](OC[C@@H]1NCc1ccc(O)cc1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C25H27NO3/c27-21-13-11-18(12-14-21)16-26-22-17-29-24(15-23(22)28)25(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-14,22-28H,15-17H2/t22-,23-,24+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.54E+3n/an/an/an/an/an/an/an/a



Wayne State University

Curated by ChEMBL


Assay Description
Inhibition of SERT-mediated [3H]5HT uptake in rat cerebral cortex


J Med Chem 49: 4239-47 (2006)


Article DOI: 10.1021/jm0601699
BindingDB Entry DOI: 10.7270/Q2XS5V05
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%