Found 154 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50334781
(CHEMBL1642912 | Cis-2-((2S,4S)-4-(3,4-dichlorophen...)Show SMILES NCC[C@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r| Show InChI InChI=1S/C18H19Cl2N/c19-17-6-5-14(11-18(17)20)16-10-12(7-8-21)9-13-3-1-2-4-15(13)16/h1-6,11-12,16H,7-10,21H2/t12-,16+/m1/s1 | PDB
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| CHEMBL
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| Article
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| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]serotonin reuptake at human SERT expressed in HEK293 cells by scintillation counting |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50334773
(CHEMBL1642904 | trans-((2R,4S)-4-(3,4-dichlorophen...)Show SMILES NC[C@@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r| Show InChI InChI=1S/C17H17Cl2N/c18-16-6-5-13(9-17(16)19)15-8-11(10-20)7-12-3-1-2-4-14(12)15/h1-6,9,11,15H,7-8,10,20H2/t11-,15-/m0/s1 | PDB
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| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]serotonin reuptake at human SERT expressed in HEK293 cells by scintillation counting |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50334787
(CHEMBL1642902 | cis-((2S,4S)-4-(3,4-dichlorophenyl...)Show SMILES NC[C@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r| Show InChI InChI=1S/C17H17Cl2N/c18-16-6-5-13(9-17(16)19)15-8-11(10-20)7-12-3-1-2-4-14(12)15/h1-6,9,11,15H,7-8,10,20H2/t11-,15+/m1/s1 | PDB
KEGG
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| CHEMBL
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| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]serotonin reuptake at human SERT expressed in HEK293 cells by scintillation counting |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50334770
(CHEMBL1642900 | cis-(2S,4S)-4-(3,4-dichlorophenyl)...)Show SMILES CN(C)[C@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r| Show InChI InChI=1S/C18H19Cl2N/c1-21(2)14-9-12-5-3-4-6-15(12)16(11-14)13-7-8-17(19)18(20)10-13/h3-8,10,14,16H,9,11H2,1-2H3/t14-,16+/m1/s1 | PDB
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]serotonin reuptake at human SERT expressed in HEK293 cells by scintillation counting |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50028094
((1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-te...)Show SMILES CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc12 |r| Show InChI InChI=1S/C17H17Cl2N/c1-20-17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11/h2-6,8,10,12,17,20H,7,9H2,1H3/t12-,17-/m0/s1 | PDB
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MMDB
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| DrugBank
PDB
Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]serotonin reuptake at human SERT expressed in HEK293 cells by scintillation counting |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM30130
(CHEMBL1201082 | CHEMBL41 | Fluoxetin | Fluoxetine ...)Show InChI InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3 | PDB
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| DrugBank
Article
PubMed
| n/a | n/a | 5.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]serotonin reuptake at human SERT expressed in HEK293 cells by scintillation counting |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50334764
(CHEMBL1642894 | trans-(2R,4S)-4-(3,4-dichloropheny...)Show SMILES CN[C@@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r| Show InChI InChI=1S/C17H17Cl2N/c1-20-13-8-11-4-2-3-5-14(11)15(10-13)12-6-7-16(18)17(19)9-12/h2-7,9,13,15,20H,8,10H2,1H3/t13-,15-/m0/s1 | PDB
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| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]serotonin reuptake at human SERT expressed in HEK293 cells by scintillation counting |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50334768
(CHEMBL1642898 | trans-(2R,4S)-4-(3,4-dichloropheny...)Show SMILES CN(C)[C@@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r| Show InChI InChI=1S/C18H19Cl2N/c1-21(2)14-9-12-5-3-4-6-15(12)16(11-14)13-7-8-17(19)18(20)10-13/h3-8,10,14,16H,9,11H2,1-2H3/t14-,16-/m0/s1 | PDB
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PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]serotonin reuptake at human SERT expressed in HEK293 cells by scintillation counting |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50334766
(CHEMBL1642896 | cis-(2S,4S)-4-(3,4-dichlorophenyl)...)Show SMILES CN[C@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r| Show InChI InChI=1S/C17H17Cl2N/c1-20-13-8-11-4-2-3-5-14(11)15(10-13)12-6-7-16(18)17(19)9-12/h2-7,9,13,15,20H,8,10H2,1H3/t13-,15+/m1/s1 | PDB
KEGG
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PC sid
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PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]serotonin reuptake at human SERT expressed in HEK293 cells by scintillation counting |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50334783
(CHEMBL1642914 | trans-(1S,2S)-1-(3,4-dichloropheny...)Show SMILES CN[C@H]1CCc2ccccc2[C@@H]1c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C17H17Cl2N/c1-20-16-9-7-11-4-2-3-5-13(11)17(16)12-6-8-14(18)15(19)10-12/h2-6,8,10,16-17,20H,7,9H2,1H3/t16-,17-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM22417
(3-(2-methoxyphenoxy)-N-methyl-3-phenylpropan-1-ami...)Show InChI InChI=1S/C17H21NO2/c1-18-13-12-15(14-8-4-3-5-9-14)20-17-11-7-6-10-16(17)19-2/h3-11,15,18H,12-13H2,1-2H3 | Reactome pathway
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| n/a | n/a | 8.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]norepinephrine reuptake at human NET expressed in MDCK cells by scintillation counting |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50334775
(CHEMBL1642906 | trans-1-((2R,4S)-4-(3,4-dichloroph...)Show SMILES CNC[C@@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r| Show InChI InChI=1S/C18H19Cl2N/c1-21-11-12-8-13-4-2-3-5-15(13)16(9-12)14-6-7-17(19)18(20)10-14/h2-7,10,12,16,21H,8-9,11H2,1H3/t12-,16-/m0/s1 | PDB
KEGG
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| CHEMBL
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PC sid
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| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]serotonin reuptake at human SERT expressed in HEK293 cells by scintillation counting |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50334787
(CHEMBL1642902 | cis-((2S,4S)-4-(3,4-dichlorophenyl...)Show SMILES NC[C@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r| Show InChI InChI=1S/C17H17Cl2N/c18-16-6-5-13(9-17(16)19)15-8-11(10-20)7-12-3-1-2-4-14(12)15/h1-6,9,11,15H,7-8,10,20H2/t11-,15+/m1/s1 | NCI pathway
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]dopamine reuptake at human DAT expressed in CHOK1 cells by scintillation counting |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50243895
(1-(3,4-dichlorophenyl)-3-aza-bicyclo[3.1.0]hexane ...)Show InChI InChI=1S/C11H11Cl2N/c12-9-2-1-7(3-10(9)13)11-4-8(11)5-14-6-11/h1-3,8,14H,4-6H2 | PDB
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| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]serotonin reuptake at human SERT expressed in HEK293 cells by scintillation counting |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50243895
(1-(3,4-dichlorophenyl)-3-aza-bicyclo[3.1.0]hexane ...)Show InChI InChI=1S/C11H11Cl2N/c12-9-2-1-7(3-10(9)13)11-4-8(11)5-14-6-11/h1-3,8,14H,4-6H2 | PDB
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| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]serotonin reuptake at human SERT expressed in HEK293 cells by scintillation counting |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50334778
(CHEMBL1642909 | cis-1-((2R,4R)-4-(3,4-dichlorophen...)Show SMILES CNC[C@@H]1C[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r| Show InChI InChI=1S/C18H19Cl2N/c1-21-11-12-8-13-4-2-3-5-15(13)16(9-12)14-6-7-17(19)18(20)10-14/h2-7,10,12,16,21H,8-9,11H2,1H3/t12-,16+/m0/s1 | PDB
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| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]serotonin reuptake at human SERT expressed in HEK293 cells by scintillation counting |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50334772
(CHEMBL1642903 | cis-((2R,4R)-4-(3,4-dichlorophenyl...)Show SMILES NC[C@@H]1C[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r| Show InChI InChI=1S/C17H17Cl2N/c18-16-6-5-13(9-17(16)19)15-8-11(10-20)7-12-3-1-2-4-14(12)15/h1-6,9,11,15H,7-8,10,20H2/t11-,15+/m0/s1 | PDB
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PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]serotonin reuptake at human SERT expressed in HEK293 cells by scintillation counting |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50334771
(CHEMBL1642901 | cis-(2R,4R)-4-(3,4-dichlorophenyl)...)Show SMILES CN(C)[C@@H]1C[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r| Show InChI InChI=1S/C18H19Cl2N/c1-21(2)14-9-12-5-3-4-6-15(12)16(11-14)13-7-8-17(19)18(20)10-13/h3-8,10,14,16H,9,11H2,1-2H3/t14-,16+/m0/s1 | PDB
KEGG
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PC cid
PC sid
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Patents
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PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]serotonin reuptake at human SERT expressed in HEK293 cells by scintillation counting |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50334766
(CHEMBL1642896 | cis-(2S,4S)-4-(3,4-dichlorophenyl)...)Show SMILES CN[C@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r| Show InChI InChI=1S/C17H17Cl2N/c1-20-13-8-11-4-2-3-5-14(11)15(10-13)12-6-7-16(18)17(19)9-12/h2-7,9,13,15,20H,8,10H2,1H3/t13-,15+/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | |
Transporter
(Rattus norvegicus (rat)) | BDBM82217
(CHEMBL284994 | CP-52003 | SERTRALINE | [4-(3,4-Dic...)Show SMILES CN[C@@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc12 Show InChI InChI=1S/C17H17Cl2N/c1-20-17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11/h2-6,8,10,12,17,20H,7,9H2,1H3/t12-,17+/m0/s1 | Reactome pathway
UniProtKB/TrEMBL
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| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]norepinephrine reuptake at NET in rat brain synaptosome by scintillation counting |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50243895
(1-(3,4-dichlorophenyl)-3-aza-bicyclo[3.1.0]hexane ...)Show InChI InChI=1S/C11H11Cl2N/c12-9-2-1-7(3-10(9)13)11-4-8(11)5-14-6-11/h1-3,8,14H,4-6H2 | Reactome pathway
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| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]norepinephrine reuptake at human NET expressed in MDCK cells by scintillation counting |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50334777
(CHEMBL1642908 | cis-1-((2S,4S)-4-(3,4-dichlorophen...)Show SMILES CNC[C@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r| Show InChI InChI=1S/C18H19Cl2N/c1-21-11-12-8-13-4-2-3-5-15(13)16(9-12)14-6-7-17(19)18(20)10-14/h2-7,10,12,16,21H,8-9,11H2,1H3/t12-,16+/m1/s1 | PDB
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| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]serotonin reuptake at human SERT expressed in HEK293 cells by scintillation counting |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50243895
(1-(3,4-dichlorophenyl)-3-aza-bicyclo[3.1.0]hexane ...)Show InChI InChI=1S/C11H11Cl2N/c12-9-2-1-7(3-10(9)13)11-4-8(11)5-14-6-11/h1-3,8,14H,4-6H2 | Reactome pathway
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Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]norepinephrine reuptake at human NET expressed in MDCK cells by scintillation counting |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50334781
(CHEMBL1642912 | Cis-2-((2S,4S)-4-(3,4-dichlorophen...)Show SMILES NCC[C@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r| Show InChI InChI=1S/C18H19Cl2N/c19-17-6-5-14(11-18(17)20)16-10-12(7-8-21)9-13-3-1-2-4-15(13)16/h1-6,11-12,16H,7-10,21H2/t12-,16+/m1/s1 | Reactome pathway
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| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]norepinephrine reuptake at human NET expressed in MDCK cells by scintillation counting |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50334764
(CHEMBL1642894 | trans-(2R,4S)-4-(3,4-dichloropheny...)Show SMILES CN[C@@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r| Show InChI InChI=1S/C17H17Cl2N/c1-20-13-8-11-4-2-3-5-14(11)15(10-13)12-6-7-16(18)17(19)9-12/h2-7,9,13,15,20H,8,10H2,1H3/t13-,15-/m0/s1 | Reactome pathway
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| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]norepinephrine reuptake at human NET expressed in MDCK cells by scintillation counting |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50334787
(CHEMBL1642902 | cis-((2S,4S)-4-(3,4-dichlorophenyl...)Show SMILES NC[C@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r| Show InChI InChI=1S/C17H17Cl2N/c18-16-6-5-13(9-17(16)19)15-8-11(10-20)7-12-3-1-2-4-14(12)15/h1-6,9,11,15H,7-8,10,20H2/t11-,15+/m1/s1 | Reactome pathway
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Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]norepinephrine reuptake at human NET expressed in MDCK cells by scintillation counting |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50005548
((+)-2-Methyl-4-phenyl-1,2,3,4-tetrahydro-isoquinol...)Show InChI InChI=1S/C16H18N2/c1-18-10-14(12-6-3-2-4-7-12)13-8-5-9-16(17)15(13)11-18/h2-9,14H,10-11,17H2,1H3 | NCI pathway
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Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]dopamine reuptake at human DAT expressed in CHOK1 cells by scintillation counting |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50334781
(CHEMBL1642912 | Cis-2-((2S,4S)-4-(3,4-dichlorophen...)Show SMILES NCC[C@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r| Show InChI InChI=1S/C18H19Cl2N/c19-17-6-5-14(11-18(17)20)16-10-12(7-8-21)9-13-3-1-2-4-15(13)16/h1-6,11-12,16H,7-10,21H2/t12-,16+/m1/s1 | NCI pathway
Reactome pathway
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| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]dopamine reuptake at human DAT expressed in CHOK1 cells by scintillation counting |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50334784
(CHEMBL1642915 | cis-(1S,2R)-1-(3,4-dichlorophenyl)...)Show SMILES CN[C@@H]1CCc2ccccc2[C@@H]1c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C17H17Cl2N/c1-20-16-9-7-11-4-2-3-5-13(11)17(16)12-6-8-14(18)15(19)10-12/h2-6,8,10,16-17,20H,7,9H2,1H3/t16-,17+/m1/s1 | PDB
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| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50334775
(CHEMBL1642906 | trans-1-((2R,4S)-4-(3,4-dichloroph...)Show SMILES CNC[C@@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r| Show InChI InChI=1S/C18H19Cl2N/c1-21-11-12-8-13-4-2-3-5-15(13)16(9-12)14-6-7-17(19)18(20)10-14/h2-7,10,12,16,21H,8-9,11H2,1H3/t12-,16-/m0/s1 | PDB
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| n/a | n/a | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50334783
(CHEMBL1642914 | trans-(1S,2S)-1-(3,4-dichloropheny...)Show SMILES CN[C@H]1CCc2ccccc2[C@@H]1c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C17H17Cl2N/c1-20-16-9-7-11-4-2-3-5-13(11)17(16)12-6-8-14(18)15(19)10-12/h2-6,8,10,16-17,20H,7,9H2,1H3/t16-,17-/m0/s1 | PDB
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| n/a | n/a | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]serotonin reuptake at human SERT expressed in HEK293 cells by scintillation counting |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50334766
(CHEMBL1642896 | cis-(2S,4S)-4-(3,4-dichlorophenyl)...)Show SMILES CN[C@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r| Show InChI InChI=1S/C17H17Cl2N/c1-20-13-8-11-4-2-3-5-14(11)15(10-13)12-6-7-16(18)17(19)9-12/h2-7,9,13,15,20H,8,10H2,1H3/t13-,15+/m1/s1 | Reactome pathway
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| n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]norepinephrine reuptake at human NET expressed in MDCK cells by scintillation counting |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50334773
(CHEMBL1642904 | trans-((2R,4S)-4-(3,4-dichlorophen...)Show SMILES NC[C@@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r| Show InChI InChI=1S/C17H17Cl2N/c18-16-6-5-13(9-17(16)19)15-8-11(10-20)7-12-3-1-2-4-14(12)15/h1-6,9,11,15H,7-8,10,20H2/t11-,15-/m0/s1 | NCI pathway
Reactome pathway
KEGG
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| n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]dopamine reuptake at human DAT expressed in CHOK1 cells by scintillation counting |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50334760
(CHEMBL1642890 | trans-(2R,4S)-4-(3,4-dichloropheny...)Show SMILES N[C@@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r| Show InChI InChI=1S/C16H15Cl2N/c17-15-6-5-11(8-16(15)18)14-9-12(19)7-10-3-1-2-4-13(10)14/h1-6,8,12,14H,7,9,19H2/t12-,14-/m0/s1 | PDB
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| n/a | n/a | 46 | n/a | n/a | n/a | n/a | n/a | n/a |
Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]serotonin reuptake at human SERT expressed in HEK293 cells by scintillation counting |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50334782
(CHEMBL1642913 | cis-2-((2R,4R)-4-(3,4-dichlorophen...)Show SMILES NCC[C@@H]1C[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r| Show InChI InChI=1S/C18H19Cl2N/c19-17-6-5-14(11-18(17)20)16-10-12(7-8-21)9-13-3-1-2-4-15(13)16/h1-6,11-12,16H,7-10,21H2/t12-,16+/m0/s1 | NCI pathway
Reactome pathway
KEGG
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PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]dopamine reuptake at human DAT expressed in CHOK1 cells by scintillation counting |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM82217
(CHEMBL284994 | CP-52003 | SERTRALINE | [4-(3,4-Dic...)Show SMILES CN[C@@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc12 Show InChI InChI=1S/C17H17Cl2N/c1-20-17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11/h2-6,8,10,12,17,20H,7,9H2,1H3/t12-,17+/m0/s1 | PDB
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Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]serotonin reuptake at SERT in rat corpus striatum by scintillation counting |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50334776
(CHEMBL1642907 | trans-1-((2S,4R)-4-(3,4-dichloroph...)Show SMILES CNC[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r| Show InChI InChI=1S/C18H19Cl2N/c1-21-11-12-8-13-4-2-3-5-15(13)16(9-12)14-6-7-17(19)18(20)10-14/h2-7,10,12,16,21H,8-9,11H2,1H3/t12-,16-/m1/s1 | PDB
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| n/a | n/a | 54 | n/a | n/a | n/a | n/a | n/a | n/a |
Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]serotonin reuptake at human SERT expressed in HEK293 cells by scintillation counting |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50334785
(CHEMBL1642916 | trans-(1R,2R)-1-(3,4-dichloropheny...)Show SMILES CN[C@@H]1CCc2ccccc2[C@H]1c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C17H17Cl2N/c1-20-16-9-7-11-4-2-3-5-13(11)17(16)12-6-8-14(18)15(19)10-12/h2-6,8,10,16-17,20H,7,9H2,1H3/t16-,17-/m1/s1 | PDB
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| n/a | n/a | 57 | n/a | n/a | n/a | n/a | n/a | n/a |
Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Rattus norvegicus (rat)) | BDBM82217
(CHEMBL284994 | CP-52003 | SERTRALINE | [4-(3,4-Dic...)Show SMILES CN[C@@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc12 Show InChI InChI=1S/C17H17Cl2N/c1-20-17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11/h2-6,8,10,12,17,20H,7,9H2,1H3/t12-,17+/m0/s1 | Reactome pathway
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Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]dopamine reuptake at DAT in rat hypothalamus by scintillation counting |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50334774
(CHEMBL1642905 | trans-((2S,4R)-4-(3,4-dichlorophen...)Show SMILES NC[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r| Show InChI InChI=1S/C17H17Cl2N/c18-16-6-5-13(9-17(16)19)15-8-11(10-20)7-12-3-1-2-4-14(12)15/h1-6,9,11,15H,7-8,10,20H2/t11-,15-/m1/s1 | PDB
KEGG
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| CHEMBL
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PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 61 | n/a | n/a | n/a | n/a | n/a | n/a |
Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]serotonin reuptake at human SERT expressed in HEK293 cells by scintillation counting |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50334765
(CHEMBL1642895 | trans-(2S,4R)-4-(3,4-dichloropheny...)Show SMILES CN[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r| Show InChI InChI=1S/C17H17Cl2N/c1-20-13-8-11-4-2-3-5-14(11)15(10-13)12-6-7-16(18)17(19)9-12/h2-7,9,13,15,20H,8,10H2,1H3/t13-,15-/m1/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 62 | n/a | n/a | n/a | n/a | n/a | n/a |
Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]dopamine reuptake at human DAT expressed in CHOK1 cells by scintillation counting |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50334764
(CHEMBL1642894 | trans-(2R,4S)-4-(3,4-dichloropheny...)Show SMILES CN[C@@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r| Show InChI InChI=1S/C17H17Cl2N/c1-20-13-8-11-4-2-3-5-14(11)15(10-13)12-6-7-16(18)17(19)9-12/h2-7,9,13,15,20H,8,10H2,1H3/t13-,15-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 67 | n/a | n/a | n/a | n/a | n/a | n/a |
Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50334767
((2R,4R)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-te...)Show SMILES CN[C@@H]1C[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r| Show InChI InChI=1S/C17H17Cl2N/c1-20-13-8-11-4-2-3-5-14(11)15(10-13)12-6-7-16(18)17(19)9-12/h2-7,9,13,15,20H,8,10H2,1H3/t13-,15+/m0/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 72 | n/a | n/a | n/a | n/a | n/a | n/a |
Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]dopamine reuptake at human DAT expressed in CHOK1 cells by scintillation counting |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50334775
(CHEMBL1642906 | trans-1-((2R,4S)-4-(3,4-dichloroph...)Show SMILES CNC[C@@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r| Show InChI InChI=1S/C18H19Cl2N/c1-21-11-12-8-13-4-2-3-5-15(13)16(9-12)14-6-7-17(19)18(20)10-14/h2-7,10,12,16,21H,8-9,11H2,1H3/t12-,16-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 72 | n/a | n/a | n/a | n/a | n/a | n/a |
Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]norepinephrine reuptake at human NET expressed in MDCK cells by scintillation counting |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50334767
((2R,4R)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-te...)Show SMILES CN[C@@H]1C[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r| Show InChI InChI=1S/C17H17Cl2N/c1-20-13-8-11-4-2-3-5-14(11)15(10-13)12-6-7-16(18)17(19)9-12/h2-7,9,13,15,20H,8,10H2,1H3/t13-,15+/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 73 | n/a | n/a | n/a | n/a | n/a | n/a |
Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]norepinephrine reuptake at human NET expressed in MDCK cells by scintillation counting |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50334782
(CHEMBL1642913 | cis-2-((2R,4R)-4-(3,4-dichlorophen...)Show SMILES NCC[C@@H]1C[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r| Show InChI InChI=1S/C18H19Cl2N/c19-17-6-5-14(11-18(17)20)16-10-12(7-8-21)9-13-3-1-2-4-15(13)16/h1-6,11-12,16H,7-10,21H2/t12-,16+/m0/s1 | PDB
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| n/a | n/a | 79 | n/a | n/a | n/a | n/a | n/a | n/a |
Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]serotonin reuptake at human SERT expressed in HEK293 cells by scintillation counting |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50334762
(CHEMBL1642892 | cis-(2S,4S)-4-(3,4-dichlorophenyl)...)Show SMILES N[C@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r| Show InChI InChI=1S/C16H15Cl2N/c17-15-6-5-11(8-16(15)18)14-9-12(19)7-10-3-1-2-4-13(10)14/h1-6,8,12,14H,7,9,19H2/t12-,14+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
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antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 84 | n/a | n/a | n/a | n/a | n/a | n/a |
Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]serotonin reuptake at human SERT expressed in HEK293 cells by scintillation counting |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50334783
(CHEMBL1642914 | trans-(1S,2S)-1-(3,4-dichloropheny...)Show SMILES CN[C@H]1CCc2ccccc2[C@@H]1c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C17H17Cl2N/c1-20-16-9-7-11-4-2-3-5-13(11)17(16)12-6-8-14(18)15(19)10-12/h2-6,8,10,16-17,20H,7,9H2,1H3/t16-,17-/m0/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 91 | n/a | n/a | n/a | n/a | n/a | n/a |
Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]dopamine reuptake at human DAT expressed in CHOK1 cells by scintillation counting |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50334773
(CHEMBL1642904 | trans-((2R,4S)-4-(3,4-dichlorophen...)Show SMILES NC[C@@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r| Show InChI InChI=1S/C17H17Cl2N/c18-16-6-5-13(9-17(16)19)15-8-11(10-20)7-12-3-1-2-4-14(12)15/h1-6,9,11,15H,7-8,10,20H2/t11-,15-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 92 | n/a | n/a | n/a | n/a | n/a | n/a |
Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]norepinephrine reuptake at human NET expressed in MDCK cells by scintillation counting |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50334774
(CHEMBL1642905 | trans-((2S,4R)-4-(3,4-dichlorophen...)Show SMILES NC[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r| Show InChI InChI=1S/C17H17Cl2N/c18-16-6-5-13(9-17(16)19)15-8-11(10-20)7-12-3-1-2-4-14(12)15/h1-6,9,11,15H,7-8,10,20H2/t11-,15-/m1/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 92 | n/a | n/a | n/a | n/a | n/a | n/a |
Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]dopamine reuptake at human DAT expressed in CHOK1 cells by scintillation counting |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50243895
(1-(3,4-dichlorophenyl)-3-aza-bicyclo[3.1.0]hexane ...)Show InChI InChI=1S/C11H11Cl2N/c12-9-2-1-7(3-10(9)13)11-4-8(11)5-14-6-11/h1-3,8,14H,4-6H2 | NCI pathway
Reactome pathway
KEGG
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CHEMBL
MCE
PC cid
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UniChem
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PubMed
| n/a | n/a | 96 | n/a | n/a | n/a | n/a | n/a | n/a |
Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]dopamine reuptake at human DAT expressed in CHOK1 cells by scintillation counting |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50243895
(1-(3,4-dichlorophenyl)-3-aza-bicyclo[3.1.0]hexane ...)Show InChI InChI=1S/C11H11Cl2N/c12-9-2-1-7(3-10(9)13)11-4-8(11)5-14-6-11/h1-3,8,14H,4-6H2 | NCI pathway
Reactome pathway
KEGG
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CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
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PubMed
| n/a | n/a | 96 | n/a | n/a | n/a | n/a | n/a | n/a |
Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]dopamine reuptake at human DAT expressed in CHOK1 cells by scintillation counting |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50334771
(CHEMBL1642901 | cis-(2R,4R)-4-(3,4-dichlorophenyl)...)Show SMILES CN(C)[C@@H]1C[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r| Show InChI InChI=1S/C18H19Cl2N/c1-21(2)14-9-12-5-3-4-6-15(12)16(11-14)13-7-8-17(19)18(20)10-13/h3-8,10,14,16H,9,11H2,1-2H3/t14-,16+/m0/s1 | Reactome pathway
KEGG
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antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 98 | n/a | n/a | n/a | n/a | n/a | n/a |
Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]norepinephrine reuptake at human NET expressed in MDCK cells by scintillation counting |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50334776
(CHEMBL1642907 | trans-1-((2S,4R)-4-(3,4-dichloroph...)Show SMILES CNC[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r| Show InChI InChI=1S/C18H19Cl2N/c1-21-11-12-8-13-4-2-3-5-15(13)16(9-12)14-6-7-17(19)18(20)10-14/h2-7,10,12,16,21H,8-9,11H2,1H3/t12-,16-/m1/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 103 | n/a | n/a | n/a | n/a | n/a | n/a |
Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]dopamine reuptake at human DAT expressed in CHOK1 cells by scintillation counting |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50334767
((2R,4R)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-te...)Show SMILES CN[C@@H]1C[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r| Show InChI InChI=1S/C17H17Cl2N/c1-20-13-8-11-4-2-3-5-14(11)15(10-13)12-6-7-16(18)17(19)9-12/h2-7,9,13,15,20H,8,10H2,1H3/t13-,15+/m0/s1 | PDB
KEGG
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antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 107 | n/a | n/a | n/a | n/a | n/a | n/a |
Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]serotonin reuptake at human SERT expressed in HEK293 cells by scintillation counting |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50334769
(CHEMBL1642899 | trans-(2S,4R)-4-(3,4-dichloropheny...)Show SMILES CN(C)[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r| Show InChI InChI=1S/C18H19Cl2N/c1-21(2)14-9-12-5-3-4-6-15(12)16(11-14)13-7-8-17(19)18(20)10-13/h3-8,10,14,16H,9,11H2,1-2H3/t14-,16-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 108 | n/a | n/a | n/a | n/a | n/a | n/a |
Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]serotonin reuptake at human SERT expressed in HEK293 cells by scintillation counting |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50334763
(CHEMBL1642893 | cis-(2R,4R)-4-(3,4-dichlorophenyl)...)Show SMILES N[C@@H]1C[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r| Show InChI InChI=1S/C16H15Cl2N/c17-15-6-5-11(8-16(15)18)14-9-12(19)7-10-3-1-2-4-13(10)14/h1-6,8,12,14H,7,9,19H2/t12-,14+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 108 | n/a | n/a | n/a | n/a | n/a | n/a |
Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]serotonin reuptake at human SERT expressed in HEK293 cells by scintillation counting |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50334777
(CHEMBL1642908 | cis-1-((2S,4S)-4-(3,4-dichlorophen...)Show SMILES CNC[C@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r| Show InChI InChI=1S/C18H19Cl2N/c1-21-11-12-8-13-4-2-3-5-15(13)16(9-12)14-6-7-17(19)18(20)10-14/h2-7,10,12,16,21H,8-9,11H2,1H3/t12-,16+/m1/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 111 | n/a | n/a | n/a | n/a | n/a | n/a |
Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]dopamine reuptake at human DAT expressed in CHOK1 cells by scintillation counting |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50334772
(CHEMBL1642903 | cis-((2R,4R)-4-(3,4-dichlorophenyl...)Show SMILES NC[C@@H]1C[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r| Show InChI InChI=1S/C17H17Cl2N/c18-16-6-5-13(9-17(16)19)15-8-11(10-20)7-12-3-1-2-4-14(12)15/h1-6,9,11,15H,7-8,10,20H2/t11-,15+/m0/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 111 | n/a | n/a | n/a | n/a | n/a | n/a |
Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]dopamine reuptake at human DAT expressed in CHOK1 cells by scintillation counting |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50334784
(CHEMBL1642915 | cis-(1S,2R)-1-(3,4-dichlorophenyl)...)Show SMILES CN[C@@H]1CCc2ccccc2[C@@H]1c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C17H17Cl2N/c1-20-16-9-7-11-4-2-3-5-13(11)17(16)12-6-8-14(18)15(19)10-12/h2-6,8,10,16-17,20H,7,9H2,1H3/t16-,17+/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 112 | n/a | n/a | n/a | n/a | n/a | n/a |
Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]norepinephrine reuptake at human NET expressed in MDCK cells by scintillation counting |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50334764
(CHEMBL1642894 | trans-(2R,4S)-4-(3,4-dichloropheny...)Show SMILES CN[C@@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r| Show InChI InChI=1S/C17H17Cl2N/c1-20-13-8-11-4-2-3-5-14(11)15(10-13)12-6-7-16(18)17(19)9-12/h2-7,9,13,15,20H,8,10H2,1H3/t13-,15-/m0/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 114 | n/a | n/a | n/a | n/a | n/a | n/a |
Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]dopamine reuptake at human DAT expressed in CHOK1 cells by scintillation counting |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50334765
(CHEMBL1642895 | trans-(2S,4R)-4-(3,4-dichloropheny...)Show SMILES CN[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r| Show InChI InChI=1S/C17H17Cl2N/c1-20-13-8-11-4-2-3-5-14(11)15(10-13)12-6-7-16(18)17(19)9-12/h2-7,9,13,15,20H,8,10H2,1H3/t13-,15-/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 117 | n/a | n/a | n/a | n/a | n/a | n/a |
Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]norepinephrine reuptake at human NET expressed in MDCK cells by scintillation counting |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50334760
(CHEMBL1642890 | trans-(2R,4S)-4-(3,4-dichloropheny...)Show SMILES N[C@@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r| Show InChI InChI=1S/C16H15Cl2N/c17-15-6-5-11(8-16(15)18)14-9-12(19)7-10-3-1-2-4-13(10)14/h1-6,8,12,14H,7,9,19H2/t12-,14-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 124 | n/a | n/a | n/a | n/a | n/a | n/a |
Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]norepinephrine reuptake at human NET expressed in MDCK cells by scintillation counting |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50334765
(CHEMBL1642895 | trans-(2S,4R)-4-(3,4-dichloropheny...)Show SMILES CN[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r| Show InChI InChI=1S/C17H17Cl2N/c1-20-13-8-11-4-2-3-5-14(11)15(10-13)12-6-7-16(18)17(19)9-12/h2-7,9,13,15,20H,8,10H2,1H3/t13-,15-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 125 | n/a | n/a | n/a | n/a | n/a | n/a |
Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]serotonin reuptake at human SERT expressed in HEK293 cells by scintillation counting |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50334775
(CHEMBL1642906 | trans-1-((2R,4S)-4-(3,4-dichloroph...)Show SMILES CNC[C@@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r| Show InChI InChI=1S/C18H19Cl2N/c1-21-11-12-8-13-4-2-3-5-15(13)16(9-12)14-6-7-17(19)18(20)10-14/h2-7,10,12,16,21H,8-9,11H2,1H3/t12-,16-/m0/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 125 | n/a | n/a | n/a | n/a | n/a | n/a |
Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]dopamine reuptake at human DAT expressed in CHOK1 cells by scintillation counting |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50334776
(CHEMBL1642907 | trans-1-((2S,4R)-4-(3,4-dichloroph...)Show SMILES CNC[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r| Show InChI InChI=1S/C18H19Cl2N/c1-21-11-12-8-13-4-2-3-5-15(13)16(9-12)14-6-7-17(19)18(20)10-14/h2-7,10,12,16,21H,8-9,11H2,1H3/t12-,16-/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 126 | n/a | n/a | n/a | n/a | n/a | n/a |
Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]norepinephrine reuptake at human NET expressed in MDCK cells by scintillation counting |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50334777
(CHEMBL1642908 | cis-1-((2S,4S)-4-(3,4-dichlorophen...)Show SMILES CNC[C@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r| Show InChI InChI=1S/C18H19Cl2N/c1-21-11-12-8-13-4-2-3-5-15(13)16(9-12)14-6-7-17(19)18(20)10-14/h2-7,10,12,16,21H,8-9,11H2,1H3/t12-,16+/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 154 | n/a | n/a | n/a | n/a | n/a | n/a |
Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50334782
(CHEMBL1642913 | cis-2-((2R,4R)-4-(3,4-dichlorophen...)Show SMILES NCC[C@@H]1C[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r| Show InChI InChI=1S/C18H19Cl2N/c19-17-6-5-14(11-18(17)20)16-10-12(7-8-21)9-13-3-1-2-4-15(13)16/h1-6,11-12,16H,7-10,21H2/t12-,16+/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 158 | n/a | n/a | n/a | n/a | n/a | n/a |
Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]norepinephrine reuptake at human NET expressed in MDCK cells by scintillation counting |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50334770
(CHEMBL1642900 | cis-(2S,4S)-4-(3,4-dichlorophenyl)...)Show SMILES CN(C)[C@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r| Show InChI InChI=1S/C18H19Cl2N/c1-21(2)14-9-12-5-3-4-6-15(12)16(11-14)13-7-8-17(19)18(20)10-13/h3-8,10,14,16H,9,11H2,1-2H3/t14-,16+/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 164 | n/a | n/a | n/a | n/a | n/a | n/a |
Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]norepinephrine reuptake at human NET expressed in MDCK cells by scintillation counting |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50334768
(CHEMBL1642898 | trans-(2R,4S)-4-(3,4-dichloropheny...)Show SMILES CN(C)[C@@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r| Show InChI InChI=1S/C18H19Cl2N/c1-21(2)14-9-12-5-3-4-6-15(12)16(11-14)13-7-8-17(19)18(20)10-13/h3-8,10,14,16H,9,11H2,1-2H3/t14-,16-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 167 | n/a | n/a | n/a | n/a | n/a | n/a |
Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]norepinephrine reuptake at human NET expressed in MDCK cells by scintillation counting |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50334763
(CHEMBL1642893 | cis-(2R,4R)-4-(3,4-dichlorophenyl)...)Show SMILES N[C@@H]1C[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r| Show InChI InChI=1S/C16H15Cl2N/c17-15-6-5-11(8-16(15)18)14-9-12(19)7-10-3-1-2-4-13(10)14/h1-6,8,12,14H,7,9,19H2/t12-,14+/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 174 | n/a | n/a | n/a | n/a | n/a | n/a |
Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]norepinephrine reuptake at human NET expressed in MDCK cells by scintillation counting |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50334769
(CHEMBL1642899 | trans-(2S,4R)-4-(3,4-dichloropheny...)Show SMILES CN(C)[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r| Show InChI InChI=1S/C18H19Cl2N/c1-21(2)14-9-12-5-3-4-6-15(12)16(11-14)13-7-8-17(19)18(20)10-13/h3-8,10,14,16H,9,11H2,1-2H3/t14-,16-/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 174 | n/a | n/a | n/a | n/a | n/a | n/a |
Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]norepinephrine reuptake at human NET expressed in MDCK cells by scintillation counting |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50334763
(CHEMBL1642893 | cis-(2R,4R)-4-(3,4-dichlorophenyl)...)Show SMILES N[C@@H]1C[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r| Show InChI InChI=1S/C16H15Cl2N/c17-15-6-5-11(8-16(15)18)14-9-12(19)7-10-3-1-2-4-13(10)14/h1-6,8,12,14H,7,9,19H2/t12-,14+/m0/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 175 | n/a | n/a | n/a | n/a | n/a | n/a |
Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]dopamine reuptake at human DAT expressed in CHOK1 cells by scintillation counting |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50334769
(CHEMBL1642899 | trans-(2S,4R)-4-(3,4-dichloropheny...)Show SMILES CN(C)[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r| Show InChI InChI=1S/C18H19Cl2N/c1-21(2)14-9-12-5-3-4-6-15(12)16(11-14)13-7-8-17(19)18(20)10-13/h3-8,10,14,16H,9,11H2,1-2H3/t14-,16-/m1/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 176 | n/a | n/a | n/a | n/a | n/a | n/a |
Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]dopamine reuptake at human DAT expressed in CHOK1 cells by scintillation counting |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50334777
(CHEMBL1642908 | cis-1-((2S,4S)-4-(3,4-dichlorophen...)Show SMILES CNC[C@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r| Show InChI InChI=1S/C18H19Cl2N/c1-21-11-12-8-13-4-2-3-5-15(13)16(9-12)14-6-7-17(19)18(20)10-14/h2-7,10,12,16,21H,8-9,11H2,1H3/t12-,16+/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 210 | n/a | n/a | n/a | n/a | n/a | n/a |
Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]norepinephrine reuptake at human NET expressed in MDCK cells by scintillation counting |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50334785
(CHEMBL1642916 | trans-(1R,2R)-1-(3,4-dichloropheny...)Show SMILES CN[C@@H]1CCc2ccccc2[C@H]1c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C17H17Cl2N/c1-20-16-9-7-11-4-2-3-5-13(11)17(16)12-6-8-14(18)15(19)10-12/h2-6,8,10,16-17,20H,7,9H2,1H3/t16-,17-/m1/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 212 | n/a | n/a | n/a | n/a | n/a | n/a |
Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]dopamine reuptake at human DAT expressed in CHOK1 cells by scintillation counting |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50334772
(CHEMBL1642903 | cis-((2R,4R)-4-(3,4-dichlorophenyl...)Show SMILES NC[C@@H]1C[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r| Show InChI InChI=1S/C17H17Cl2N/c18-16-6-5-13(9-17(16)19)15-8-11(10-20)7-12-3-1-2-4-14(12)15/h1-6,9,11,15H,7-8,10,20H2/t11-,15+/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 257 | n/a | n/a | n/a | n/a | n/a | n/a |
Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]norepinephrine reuptake at human NET expressed in MDCK cells by scintillation counting |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50334781
(CHEMBL1642912 | Cis-2-((2S,4S)-4-(3,4-dichlorophen...)Show SMILES NCC[C@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r| Show InChI InChI=1S/C18H19Cl2N/c19-17-6-5-14(11-18(17)20)16-10-12(7-8-21)9-13-3-1-2-4-15(13)16/h1-6,11-12,16H,7-10,21H2/t12-,16+/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 265 | n/a | n/a | n/a | n/a | n/a | n/a |
Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50334770
(CHEMBL1642900 | cis-(2S,4S)-4-(3,4-dichlorophenyl)...)Show SMILES CN(C)[C@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r| Show InChI InChI=1S/C18H19Cl2N/c1-21(2)14-9-12-5-3-4-6-15(12)16(11-14)13-7-8-17(19)18(20)10-13/h3-8,10,14,16H,9,11H2,1-2H3/t14-,16+/m1/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 273 | n/a | n/a | n/a | n/a | n/a | n/a |
Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]dopamine reuptake at human DAT expressed in CHOK1 cells by scintillation counting |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50334766
(CHEMBL1642896 | cis-(2S,4S)-4-(3,4-dichlorophenyl)...)Show SMILES CN[C@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r| Show InChI InChI=1S/C17H17Cl2N/c1-20-13-8-11-4-2-3-5-14(11)15(10-13)12-6-7-16(18)17(19)9-12/h2-7,9,13,15,20H,8,10H2,1H3/t13-,15+/m1/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 281 | n/a | n/a | n/a | n/a | n/a | n/a |
Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]dopamine reuptake at human DAT expressed in CHOK1 cells by scintillation counting |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50334780
(CHEMBL1642911 | trans-rac-[4-(3,4-dichlorophenyl)-...)Show SMILES CN(C)C[C@@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r| Show InChI InChI=1S/C19H21Cl2N/c1-22(2)12-13-9-14-5-3-4-6-16(14)17(10-13)15-7-8-18(20)19(21)11-15/h3-8,11,13,17H,9-10,12H2,1-2H3/t13-,17-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 309 | n/a | n/a | n/a | n/a | n/a | n/a |
Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]norepinephrine reuptake at human NET expressed in MDCK cells by scintillation counting |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50028094
((1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-te...)Show SMILES CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc12 |r| Show InChI InChI=1S/C17H17Cl2N/c1-20-17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11/h2-6,8,10,12,17,20H,7,9H2,1H3/t12-,17-/m0/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
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| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
Article
PubMed
| n/a | n/a | 310 | n/a | n/a | n/a | n/a | n/a | n/a |
Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]dopamine reuptake at human DAT expressed in CHOK1 cells by scintillation counting |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50028094
((1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-te...)Show SMILES CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc12 |r| Show InChI InChI=1S/C17H17Cl2N/c1-20-17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11/h2-6,8,10,12,17,20H,7,9H2,1H3/t12-,17-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
Article
PubMed
| n/a | n/a | 310 | n/a | n/a | n/a | n/a | n/a | n/a |
Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50334779
(CHEMBL1642910 | cis-rac-[4-(3,4-dichlorophenyl)-1,...)Show SMILES CN(C)C[C@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r| Show InChI InChI=1S/C19H21Cl2N/c1-22(2)12-13-9-14-5-3-4-6-16(14)17(10-13)15-7-8-18(20)19(21)11-15/h3-8,11,13,17H,9-10,12H2,1-2H3/t13-,17+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 311 | n/a | n/a | n/a | n/a | n/a | n/a |
Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]serotonin reuptake at human SERT expressed in HEK293 cells by scintillation counting |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50334771
(CHEMBL1642901 | cis-(2R,4R)-4-(3,4-dichlorophenyl)...)Show SMILES CN(C)[C@@H]1C[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r| Show InChI InChI=1S/C18H19Cl2N/c1-21(2)14-9-12-5-3-4-6-15(12)16(11-14)13-7-8-17(19)18(20)10-13/h3-8,10,14,16H,9,11H2,1-2H3/t14-,16+/m0/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 319 | n/a | n/a | n/a | n/a | n/a | n/a |
Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]dopamine reuptake at human DAT expressed in CHOK1 cells by scintillation counting |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50334779
(CHEMBL1642910 | cis-rac-[4-(3,4-dichlorophenyl)-1,...)Show SMILES CN(C)C[C@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r| Show InChI InChI=1S/C19H21Cl2N/c1-22(2)12-13-9-14-5-3-4-6-16(14)17(10-13)15-7-8-18(20)19(21)11-15/h3-8,11,13,17H,9-10,12H2,1-2H3/t13-,17+/m1/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 332 | n/a | n/a | n/a | n/a | n/a | n/a |
Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]dopamine reuptake at human DAT expressed in CHOK1 cells by scintillation counting |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50334780
(CHEMBL1642911 | trans-rac-[4-(3,4-dichlorophenyl)-...)Show SMILES CN(C)C[C@@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r| Show InChI InChI=1S/C19H21Cl2N/c1-22(2)12-13-9-14-5-3-4-6-16(14)17(10-13)15-7-8-18(20)19(21)11-15/h3-8,11,13,17H,9-10,12H2,1-2H3/t13-,17-/m0/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 339 | n/a | n/a | n/a | n/a | n/a | n/a |
Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]dopamine reuptake at human DAT expressed in CHOK1 cells by scintillation counting |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50334760
(CHEMBL1642890 | trans-(2R,4S)-4-(3,4-dichloropheny...)Show SMILES N[C@@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r| Show InChI InChI=1S/C16H15Cl2N/c17-15-6-5-11(8-16(15)18)14-9-12(19)7-10-3-1-2-4-13(10)14/h1-6,8,12,14H,7,9,19H2/t12-,14-/m0/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 350 | n/a | n/a | n/a | n/a | n/a | n/a |
Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]dopamine reuptake at human DAT expressed in CHOK1 cells by scintillation counting |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50334774
(CHEMBL1642905 | trans-((2S,4R)-4-(3,4-dichlorophen...)Show SMILES NC[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r| Show InChI InChI=1S/C17H17Cl2N/c18-16-6-5-13(9-17(16)19)15-8-11(10-20)7-12-3-1-2-4-14(12)15/h1-6,9,11,15H,7-8,10,20H2/t11-,15-/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 371 | n/a | n/a | n/a | n/a | n/a | n/a |
Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]norepinephrine reuptake at human NET expressed in MDCK cells by scintillation counting |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50334778
(CHEMBL1642909 | cis-1-((2R,4R)-4-(3,4-dichlorophen...)Show SMILES CNC[C@@H]1C[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r| Show InChI InChI=1S/C18H19Cl2N/c1-21-11-12-8-13-4-2-3-5-15(13)16(9-12)14-6-7-17(19)18(20)10-14/h2-7,10,12,16,21H,8-9,11H2,1H3/t12-,16+/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 372 | n/a | n/a | n/a | n/a | n/a | n/a |
Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]norepinephrine reuptake at human NET expressed in MDCK cells by scintillation counting |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50334761
(CHEMBL1642891 | trans-(2S,4R)-4-(3,4-dichloropheny...)Show SMILES N[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r| Show InChI InChI=1S/C16H15Cl2N/c17-15-6-5-11(8-16(15)18)14-9-12(19)7-10-3-1-2-4-13(10)14/h1-6,8,12,14H,7,9,19H2/t12-,14-/m1/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 408 | n/a | n/a | n/a | n/a | n/a | n/a |
Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]dopamine reuptake at human DAT expressed in CHOK1 cells by scintillation counting |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50334768
(CHEMBL1642898 | trans-(2R,4S)-4-(3,4-dichloropheny...)Show SMILES CN(C)[C@@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r| Show InChI InChI=1S/C18H19Cl2N/c1-21(2)14-9-12-5-3-4-6-15(12)16(11-14)13-7-8-17(19)18(20)10-13/h3-8,10,14,16H,9,11H2,1-2H3/t14-,16-/m0/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 454 | n/a | n/a | n/a | n/a | n/a | n/a |
Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]dopamine reuptake at human DAT expressed in CHOK1 cells by scintillation counting |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50334778
(CHEMBL1642909 | cis-1-((2R,4R)-4-(3,4-dichlorophen...)Show SMILES CNC[C@@H]1C[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r| Show InChI InChI=1S/C18H19Cl2N/c1-21-11-12-8-13-4-2-3-5-15(13)16(9-12)14-6-7-17(19)18(20)10-14/h2-7,10,12,16,21H,8-9,11H2,1H3/t12-,16+/m0/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 484 | n/a | n/a | n/a | n/a | n/a | n/a |
Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]dopamine reuptake at human DAT expressed in CHOK1 cells by scintillation counting |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50334786
(CHEMBL1642917 | cis-(1R,2S)-1-(3,4-dichlorophenyl)...)Show SMILES CN[C@H]1CCc2ccccc2[C@H]1c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C17H17Cl2N/c1-20-16-9-7-11-4-2-3-5-13(11)17(16)12-6-8-14(18)15(19)10-12/h2-6,8,10,16-17,20H,7,9H2,1H3/t16-,17+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 495 | n/a | n/a | n/a | n/a | n/a | n/a |
Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50334784
(CHEMBL1642915 | cis-(1S,2R)-1-(3,4-dichlorophenyl)...)Show SMILES CN[C@@H]1CCc2ccccc2[C@@H]1c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C17H17Cl2N/c1-20-16-9-7-11-4-2-3-5-13(11)17(16)12-6-8-14(18)15(19)10-12/h2-6,8,10,16-17,20H,7,9H2,1H3/t16-,17+/m1/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 559 | n/a | n/a | n/a | n/a | n/a | n/a |
Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]dopamine reuptake at human DAT expressed in CHOK1 cells by scintillation counting |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50334779
(CHEMBL1642910 | cis-rac-[4-(3,4-dichlorophenyl)-1,...)Show SMILES CN(C)C[C@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r| Show InChI InChI=1S/C19H21Cl2N/c1-22(2)12-13-9-14-5-3-4-6-16(14)17(10-13)15-7-8-18(20)19(21)11-15/h3-8,11,13,17H,9-10,12H2,1-2H3/t13-,17+/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 565 | n/a | n/a | n/a | n/a | n/a | n/a |
Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]norepinephrine reuptake at human NET expressed in MDCK cells by scintillation counting |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50334761
(CHEMBL1642891 | trans-(2S,4R)-4-(3,4-dichloropheny...)Show SMILES N[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r| Show InChI InChI=1S/C16H15Cl2N/c17-15-6-5-11(8-16(15)18)14-9-12(19)7-10-3-1-2-4-13(10)14/h1-6,8,12,14H,7,9,19H2/t12-,14-/m1/s1 | Reactome pathway
KEGG
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| CHEMBL
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PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 731 | n/a | n/a | n/a | n/a | n/a | n/a |
Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]norepinephrine reuptake at human NET expressed in MDCK cells by scintillation counting |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50334783
(CHEMBL1642914 | trans-(1S,2S)-1-(3,4-dichloropheny...)Show SMILES CN[C@H]1CCc2ccccc2[C@@H]1c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C17H17Cl2N/c1-20-16-9-7-11-4-2-3-5-13(11)17(16)12-6-8-14(18)15(19)10-12/h2-6,8,10,16-17,20H,7,9H2,1H3/t16-,17-/m0/s1 | Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
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| Article
PubMed
| n/a | n/a | 766 | n/a | n/a | n/a | n/a | n/a | n/a |
Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]norepinephrine reuptake at human NET expressed in MDCK cells by scintillation counting |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50028094
((1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-te...)Show SMILES CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc12 |r| Show InChI InChI=1S/C17H17Cl2N/c1-20-17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11/h2-6,8,10,12,17,20H,7,9H2,1H3/t12-,17-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
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CHEMBL
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MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
Article
PubMed
| n/a | n/a | 800 | n/a | n/a | n/a | n/a | n/a | n/a |
Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50028094
((1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-te...)Show SMILES CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc12 |r| Show InChI InChI=1S/C17H17Cl2N/c1-20-17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11/h2-6,8,10,12,17,20H,7,9H2,1H3/t12-,17-/m0/s1 | Reactome pathway
KEGG
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PC cid
PC sid
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Patents
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| Article
PubMed
| n/a | n/a | 825 | n/a | n/a | n/a | n/a | n/a | n/a |
Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]norepinephrine reuptake at human NET expressed in MDCK cells by scintillation counting |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50334762
(CHEMBL1642892 | cis-(2S,4S)-4-(3,4-dichlorophenyl)...)Show SMILES N[C@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r| Show InChI InChI=1S/C16H15Cl2N/c17-15-6-5-11(8-16(15)18)14-9-12(19)7-10-3-1-2-4-13(10)14/h1-6,8,12,14H,7,9,19H2/t12-,14+/m1/s1 | Reactome pathway
KEGG
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antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 855 | n/a | n/a | n/a | n/a | n/a | n/a |
Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]norepinephrine reuptake at human NET expressed in MDCK cells by scintillation counting |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50334762
(CHEMBL1642892 | cis-(2S,4S)-4-(3,4-dichlorophenyl)...)Show SMILES N[C@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r| Show InChI InChI=1S/C16H15Cl2N/c17-15-6-5-11(8-16(15)18)14-9-12(19)7-10-3-1-2-4-13(10)14/h1-6,8,12,14H,7,9,19H2/t12-,14+/m1/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 894 | n/a | n/a | n/a | n/a | n/a | n/a |
Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]dopamine reuptake at human DAT expressed in CHOK1 cells by scintillation counting |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50334776
(CHEMBL1642907 | trans-1-((2S,4R)-4-(3,4-dichloroph...)Show SMILES CNC[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r| Show InChI InChI=1S/C18H19Cl2N/c1-21-11-12-8-13-4-2-3-5-15(13)16(9-12)14-6-7-17(19)18(20)10-14/h2-7,10,12,16,21H,8-9,11H2,1H3/t12-,16-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| n/a | n/a | 917 | n/a | n/a | n/a | n/a | n/a | n/a |
Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50334780
(CHEMBL1642911 | trans-rac-[4-(3,4-dichlorophenyl)-...)Show SMILES CN(C)C[C@@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r| Show InChI InChI=1S/C19H21Cl2N/c1-22(2)12-13-9-14-5-3-4-6-16(14)17(10-13)15-7-8-18(20)19(21)11-15/h3-8,11,13,17H,9-10,12H2,1-2H3/t13-,17-/m0/s1 | PDB
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 970 | n/a | n/a | n/a | n/a | n/a | n/a |
Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]serotonin reuptake at human SERT expressed in HEK293 cells by scintillation counting |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50334765
(CHEMBL1642895 | trans-(2S,4R)-4-(3,4-dichloropheny...)Show SMILES CN[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r| Show InChI InChI=1S/C17H17Cl2N/c1-20-13-8-11-4-2-3-5-14(11)15(10-13)12-6-7-16(18)17(19)9-12/h2-7,9,13,15,20H,8,10H2,1H3/t13-,15-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.16E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50028094
((1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-te...)Show SMILES CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc12 |r| Show InChI InChI=1S/C17H17Cl2N/c1-20-17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11/h2-6,8,10,12,17,20H,7,9H2,1H3/t12-,17-/m0/s1 | PDB
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PC sid
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| Article
PubMed
| n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50334782
(CHEMBL1642913 | cis-2-((2R,4R)-4-(3,4-dichlorophen...)Show SMILES NCC[C@@H]1C[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r| Show InChI InChI=1S/C18H19Cl2N/c19-17-6-5-14(11-18(17)20)16-10-12(7-8-21)9-13-3-1-2-4-15(13)16/h1-6,11-12,16H,7-10,21H2/t12-,16+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.51E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50334767
((2R,4R)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-te...)Show SMILES CN[C@@H]1C[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r| Show InChI InChI=1S/C17H17Cl2N/c1-20-13-8-11-4-2-3-5-14(11)15(10-13)12-6-7-16(18)17(19)9-12/h2-7,9,13,15,20H,8,10H2,1H3/t13-,15+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50334775
(CHEMBL1642906 | trans-1-((2R,4S)-4-(3,4-dichloroph...)Show SMILES CNC[C@@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r| Show InChI InChI=1S/C18H19Cl2N/c1-21-11-12-8-13-4-2-3-5-15(13)16(9-12)14-6-7-17(19)18(20)10-14/h2-7,10,12,16,21H,8-9,11H2,1H3/t12-,16-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.61E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50334786
(CHEMBL1642917 | cis-(1R,2S)-1-(3,4-dichlorophenyl)...)Show SMILES CN[C@H]1CCc2ccccc2[C@H]1c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C17H17Cl2N/c1-20-16-9-7-11-4-2-3-5-13(11)17(16)12-6-8-14(18)15(19)10-12/h2-6,8,10,16-17,20H,7,9H2,1H3/t16-,17+/m0/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.62E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]dopamine reuptake at human DAT expressed in CHOK1 cells by scintillation counting |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50334782
(CHEMBL1642913 | cis-2-((2R,4R)-4-(3,4-dichlorophen...)Show SMILES NCC[C@@H]1C[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r| Show InChI InChI=1S/C18H19Cl2N/c19-17-6-5-14(11-18(17)20)16-10-12(7-8-21)9-13-3-1-2-4-15(13)16/h1-6,11-12,16H,7-10,21H2/t12-,16+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.64E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50334785
(CHEMBL1642916 | trans-(1R,2R)-1-(3,4-dichloropheny...)Show SMILES CN[C@@H]1CCc2ccccc2[C@H]1c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C17H17Cl2N/c1-20-16-9-7-11-4-2-3-5-13(11)17(16)12-6-8-14(18)15(19)10-12/h2-6,8,10,16-17,20H,7,9H2,1H3/t16-,17-/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.64E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]norepinephrine reuptake at human NET expressed in MDCK cells by scintillation counting |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50334761
(CHEMBL1642891 | trans-(2S,4R)-4-(3,4-dichloropheny...)Show SMILES N[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r| Show InChI InChI=1S/C16H15Cl2N/c17-15-6-5-11(8-16(15)18)14-9-12(19)7-10-3-1-2-4-13(10)14/h1-6,8,12,14H,7,9,19H2/t12-,14-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.83E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]serotonin reuptake at human SERT expressed in HEK293 cells by scintillation counting |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50334784
(CHEMBL1642915 | cis-(1S,2R)-1-(3,4-dichlorophenyl)...)Show SMILES CN[C@@H]1CCc2ccccc2[C@@H]1c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C17H17Cl2N/c1-20-16-9-7-11-4-2-3-5-13(11)17(16)12-6-8-14(18)15(19)10-12/h2-6,8,10,16-17,20H,7,9H2,1H3/t16-,17+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.96E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]serotonin reuptake at human SERT expressed in HEK293 cells by scintillation counting |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50334777
(CHEMBL1642908 | cis-1-((2S,4S)-4-(3,4-dichlorophen...)Show SMILES CNC[C@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r| Show InChI InChI=1S/C18H19Cl2N/c1-21-11-12-8-13-4-2-3-5-15(13)16(9-12)14-6-7-17(19)18(20)10-14/h2-7,10,12,16,21H,8-9,11H2,1H3/t12-,16+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50334776
(CHEMBL1642907 | trans-1-((2S,4R)-4-(3,4-dichloroph...)Show SMILES CNC[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r| Show InChI InChI=1S/C18H19Cl2N/c1-21-11-12-8-13-4-2-3-5-15(13)16(9-12)14-6-7-17(19)18(20)10-14/h2-7,10,12,16,21H,8-9,11H2,1H3/t12-,16-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.17E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50334765
(CHEMBL1642895 | trans-(2S,4R)-4-(3,4-dichloropheny...)Show SMILES CN[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r| Show InChI InChI=1S/C17H17Cl2N/c1-20-13-8-11-4-2-3-5-14(11)15(10-13)12-6-7-16(18)17(19)9-12/h2-7,9,13,15,20H,8,10H2,1H3/t13-,15-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.32E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50334785
(CHEMBL1642916 | trans-(1R,2R)-1-(3,4-dichloropheny...)Show SMILES CN[C@@H]1CCc2ccccc2[C@H]1c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C17H17Cl2N/c1-20-16-9-7-11-4-2-3-5-13(11)17(16)12-6-8-14(18)15(19)10-12/h2-6,8,10,16-17,20H,7,9H2,1H3/t16-,17-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]serotonin reuptake at human SERT expressed in HEK293 cells by scintillation counting |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50334767
((2R,4R)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-te...)Show SMILES CN[C@@H]1C[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r| Show InChI InChI=1S/C17H17Cl2N/c1-20-13-8-11-4-2-3-5-14(11)15(10-13)12-6-7-16(18)17(19)9-12/h2-7,9,13,15,20H,8,10H2,1H3/t13-,15+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.78E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50334786
(CHEMBL1642917 | cis-(1R,2S)-1-(3,4-dichlorophenyl)...)Show SMILES CN[C@H]1CCc2ccccc2[C@H]1c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C17H17Cl2N/c1-20-16-9-7-11-4-2-3-5-13(11)17(16)12-6-8-14(18)15(19)10-12/h2-6,8,10,16-17,20H,7,9H2,1H3/t16-,17+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.83E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]serotonin reuptake at human SERT expressed in HEK293 cells by scintillation counting |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50334781
(CHEMBL1642912 | Cis-2-((2S,4S)-4-(3,4-dichlorophen...)Show SMILES NCC[C@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r| Show InChI InChI=1S/C18H19Cl2N/c19-17-6-5-14(11-18(17)20)16-10-12(7-8-21)9-13-3-1-2-4-15(13)16/h1-6,11-12,16H,7-10,21H2/t12-,16+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 3.76E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50334765
(CHEMBL1642895 | trans-(2S,4R)-4-(3,4-dichloropheny...)Show SMILES CN[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r| Show InChI InChI=1S/C17H17Cl2N/c1-20-13-8-11-4-2-3-5-14(11)15(10-13)12-6-7-16(18)17(19)9-12/h2-7,9,13,15,20H,8,10H2,1H3/t13-,15-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5.26E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50334766
(CHEMBL1642896 | cis-(2S,4S)-4-(3,4-dichlorophenyl)...)Show SMILES CN[C@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r| Show InChI InChI=1S/C17H17Cl2N/c1-20-13-8-11-4-2-3-5-14(11)15(10-13)12-6-7-16(18)17(19)9-12/h2-7,9,13,15,20H,8,10H2,1H3/t13-,15+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5.27E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50334777
(CHEMBL1642908 | cis-1-((2S,4S)-4-(3,4-dichlorophen...)Show SMILES CNC[C@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r| Show InChI InChI=1S/C18H19Cl2N/c1-21-11-12-8-13-4-2-3-5-15(13)16(9-12)14-6-7-17(19)18(20)10-14/h2-7,10,12,16,21H,8-9,11H2,1H3/t12-,16+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 6.02E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50334786
(CHEMBL1642917 | cis-(1R,2S)-1-(3,4-dichlorophenyl)...)Show SMILES CN[C@H]1CCc2ccccc2[C@H]1c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C17H17Cl2N/c1-20-16-9-7-11-4-2-3-5-13(11)17(16)12-6-8-14(18)15(19)10-12/h2-6,8,10,16-17,20H,7,9H2,1H3/t16-,17+/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 7.26E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of [3H]norepinephrine reuptake at human NET expressed in MDCK cells by scintillation counting |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50334784
(CHEMBL1642915 | cis-(1S,2R)-1-(3,4-dichlorophenyl)...)Show SMILES CN[C@@H]1CCc2ccccc2[C@@H]1c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C17H17Cl2N/c1-20-16-9-7-11-4-2-3-5-13(11)17(16)12-6-8-14(18)15(19)10-12/h2-6,8,10,16-17,20H,7,9H2,1H3/t16-,17+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 7.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50334775
(CHEMBL1642906 | trans-1-((2R,4S)-4-(3,4-dichloroph...)Show SMILES CNC[C@@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r| Show InChI InChI=1S/C18H19Cl2N/c1-21-11-12-8-13-4-2-3-5-15(13)16(9-12)14-6-7-17(19)18(20)10-14/h2-7,10,12,16,21H,8-9,11H2,1H3/t12-,16-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 7.69E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50334786
(CHEMBL1642917 | cis-(1R,2S)-1-(3,4-dichlorophenyl)...)Show SMILES CN[C@H]1CCc2ccccc2[C@H]1c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C17H17Cl2N/c1-20-16-9-7-11-4-2-3-5-13(11)17(16)12-6-8-14(18)15(19)10-12/h2-6,8,10,16-17,20H,7,9H2,1H3/t16-,17+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50334785
(CHEMBL1642916 | trans-(1R,2R)-1-(3,4-dichloropheny...)Show SMILES CN[C@@H]1CCc2ccccc2[C@H]1c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C17H17Cl2N/c1-20-16-9-7-11-4-2-3-5-13(11)17(16)12-6-8-14(18)15(19)10-12/h2-6,8,10,16-17,20H,7,9H2,1H3/t16-,17-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50334783
(CHEMBL1642914 | trans-(1S,2S)-1-(3,4-dichloropheny...)Show SMILES CN[C@H]1CCc2ccccc2[C@@H]1c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C17H17Cl2N/c1-20-16-9-7-11-4-2-3-5-13(11)17(16)12-6-8-14(18)15(19)10-12/h2-6,8,10,16-17,20H,7,9H2,1H3/t16-,17-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50028094
((1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-te...)Show SMILES CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc12 |r| Show InChI InChI=1S/C17H17Cl2N/c1-20-17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11/h2-6,8,10,12,17,20H,7,9H2,1H3/t12-,17-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50334767
((2R,4R)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-te...)Show SMILES CN[C@@H]1C[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r| Show InChI InChI=1S/C17H17Cl2N/c1-20-13-8-11-4-2-3-5-14(11)15(10-13)12-6-7-16(18)17(19)9-12/h2-7,9,13,15,20H,8,10H2,1H3/t13-,15+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.02E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50334781
(CHEMBL1642912 | Cis-2-((2S,4S)-4-(3,4-dichlorophen...)Show SMILES NCC[C@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r| Show InChI InChI=1S/C18H19Cl2N/c19-17-6-5-14(11-18(17)20)16-10-12(7-8-21)9-13-3-1-2-4-15(13)16/h1-6,11-12,16H,7-10,21H2/t12-,16+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.31E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50334782
(CHEMBL1642913 | cis-2-((2R,4R)-4-(3,4-dichlorophen...)Show SMILES NCC[C@@H]1C[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r| Show InChI InChI=1S/C18H19Cl2N/c19-17-6-5-14(11-18(17)20)16-10-12(7-8-21)9-13-3-1-2-4-15(13)16/h1-6,11-12,16H,7-10,21H2/t12-,16+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.38E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50334767
((2R,4R)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-te...)Show SMILES CN[C@@H]1C[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r| Show InChI InChI=1S/C17H17Cl2N/c1-20-13-8-11-4-2-3-5-14(11)15(10-13)12-6-7-16(18)17(19)9-12/h2-7,9,13,15,20H,8,10H2,1H3/t13-,15+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.71E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50334775
(CHEMBL1642906 | trans-1-((2R,4S)-4-(3,4-dichloroph...)Show SMILES CNC[C@@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r| Show InChI InChI=1S/C18H19Cl2N/c1-21-11-12-8-13-4-2-3-5-15(13)16(9-12)14-6-7-17(19)18(20)10-14/h2-7,10,12,16,21H,8-9,11H2,1H3/t12-,16-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.01E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50334767
((2R,4R)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-te...)Show SMILES CN[C@@H]1C[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r| Show InChI InChI=1S/C17H17Cl2N/c1-20-13-8-11-4-2-3-5-14(11)15(10-13)12-6-7-16(18)17(19)9-12/h2-7,9,13,15,20H,8,10H2,1H3/t13-,15+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50334765
(CHEMBL1642895 | trans-(2S,4R)-4-(3,4-dichloropheny...)Show SMILES CN[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r| Show InChI InChI=1S/C17H17Cl2N/c1-20-13-8-11-4-2-3-5-14(11)15(10-13)12-6-7-16(18)17(19)9-12/h2-7,9,13,15,20H,8,10H2,1H3/t13-,15-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50334777
(CHEMBL1642908 | cis-1-((2S,4S)-4-(3,4-dichlorophen...)Show SMILES CNC[C@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r| Show InChI InChI=1S/C18H19Cl2N/c1-21-11-12-8-13-4-2-3-5-15(13)16(9-12)14-6-7-17(19)18(20)10-14/h2-7,10,12,16,21H,8-9,11H2,1H3/t12-,16+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50334764
(CHEMBL1642894 | trans-(2R,4S)-4-(3,4-dichloropheny...)Show SMILES CN[C@@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r| Show InChI InChI=1S/C17H17Cl2N/c1-20-13-8-11-4-2-3-5-14(11)15(10-13)12-6-7-16(18)17(19)9-12/h2-7,9,13,15,20H,8,10H2,1H3/t13-,15-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50334777
(CHEMBL1642908 | cis-1-((2S,4S)-4-(3,4-dichlorophen...)Show SMILES CNC[C@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r| Show InChI InChI=1S/C18H19Cl2N/c1-21-11-12-8-13-4-2-3-5-15(13)16(9-12)14-6-7-17(19)18(20)10-14/h2-7,10,12,16,21H,8-9,11H2,1H3/t12-,16+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50334781
(CHEMBL1642912 | Cis-2-((2S,4S)-4-(3,4-dichlorophen...)Show SMILES NCC[C@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r| Show InChI InChI=1S/C18H19Cl2N/c19-17-6-5-14(11-18(17)20)16-10-12(7-8-21)9-13-3-1-2-4-15(13)16/h1-6,11-12,16H,7-10,21H2/t12-,16+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50334782
(CHEMBL1642913 | cis-2-((2R,4R)-4-(3,4-dichlorophen...)Show SMILES NCC[C@@H]1C[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r| Show InChI InChI=1S/C18H19Cl2N/c19-17-6-5-14(11-18(17)20)16-10-12(7-8-21)9-13-3-1-2-4-15(13)16/h1-6,11-12,16H,7-10,21H2/t12-,16+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50334766
(CHEMBL1642896 | cis-(2S,4S)-4-(3,4-dichlorophenyl)...)Show SMILES CN[C@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r| Show InChI InChI=1S/C17H17Cl2N/c1-20-13-8-11-4-2-3-5-14(11)15(10-13)12-6-7-16(18)17(19)9-12/h2-7,9,13,15,20H,8,10H2,1H3/t13-,15+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50334766
(CHEMBL1642896 | cis-(2S,4S)-4-(3,4-dichlorophenyl)...)Show SMILES CN[C@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r| Show InChI InChI=1S/C17H17Cl2N/c1-20-13-8-11-4-2-3-5-14(11)15(10-13)12-6-7-16(18)17(19)9-12/h2-7,9,13,15,20H,8,10H2,1H3/t13-,15+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50334764
(CHEMBL1642894 | trans-(2R,4S)-4-(3,4-dichloropheny...)Show SMILES CN[C@@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r| Show InChI InChI=1S/C17H17Cl2N/c1-20-13-8-11-4-2-3-5-14(11)15(10-13)12-6-7-16(18)17(19)9-12/h2-7,9,13,15,20H,8,10H2,1H3/t13-,15-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50334781
(CHEMBL1642912 | Cis-2-((2S,4S)-4-(3,4-dichlorophen...)Show SMILES NCC[C@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r| Show InChI InChI=1S/C18H19Cl2N/c19-17-6-5-14(11-18(17)20)16-10-12(7-8-21)9-13-3-1-2-4-15(13)16/h1-6,11-12,16H,7-10,21H2/t12-,16+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50334776
(CHEMBL1642907 | trans-1-((2S,4R)-4-(3,4-dichloroph...)Show SMILES CNC[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r| Show InChI InChI=1S/C18H19Cl2N/c1-21-11-12-8-13-4-2-3-5-15(13)16(9-12)14-6-7-17(19)18(20)10-14/h2-7,10,12,16,21H,8-9,11H2,1H3/t12-,16-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50334765
(CHEMBL1642895 | trans-(2S,4R)-4-(3,4-dichloropheny...)Show SMILES CN[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r| Show InChI InChI=1S/C17H17Cl2N/c1-20-13-8-11-4-2-3-5-14(11)15(10-13)12-6-7-16(18)17(19)9-12/h2-7,9,13,15,20H,8,10H2,1H3/t13-,15-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50334782
(CHEMBL1642913 | cis-2-((2R,4R)-4-(3,4-dichlorophen...)Show SMILES NCC[C@@H]1C[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r| Show InChI InChI=1S/C18H19Cl2N/c19-17-6-5-14(11-18(17)20)16-10-12(7-8-21)9-13-3-1-2-4-15(13)16/h1-6,11-12,16H,7-10,21H2/t12-,16+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50334775
(CHEMBL1642906 | trans-1-((2R,4S)-4-(3,4-dichloroph...)Show SMILES CNC[C@@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r| Show InChI InChI=1S/C18H19Cl2N/c1-21-11-12-8-13-4-2-3-5-15(13)16(9-12)14-6-7-17(19)18(20)10-14/h2-7,10,12,16,21H,8-9,11H2,1H3/t12-,16-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50334764
(CHEMBL1642894 | trans-(2R,4S)-4-(3,4-dichloropheny...)Show SMILES CN[C@@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r| Show InChI InChI=1S/C17H17Cl2N/c1-20-13-8-11-4-2-3-5-14(11)15(10-13)12-6-7-16(18)17(19)9-12/h2-7,9,13,15,20H,8,10H2,1H3/t13-,15-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50334766
(CHEMBL1642896 | cis-(2S,4S)-4-(3,4-dichlorophenyl)...)Show SMILES CN[C@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r| Show InChI InChI=1S/C17H17Cl2N/c1-20-13-8-11-4-2-3-5-14(11)15(10-13)12-6-7-16(18)17(19)9-12/h2-7,9,13,15,20H,8,10H2,1H3/t13-,15+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50334776
(CHEMBL1642907 | trans-1-((2S,4R)-4-(3,4-dichloroph...)Show SMILES CNC[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)c2ccccc2C1 |r| Show InChI InChI=1S/C18H19Cl2N/c1-21-11-12-8-13-4-2-3-5-15(13)16(9-12)14-6-7-17(19)18(20)10-14/h2-7,10,12,16,21H,8-9,11H2,1H3/t12-,16-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Sepracor Inc.
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 |
Bioorg Med Chem 19: 663-76 (2011)
Article DOI: 10.1016/j.bmc.2010.10.034
BindingDB Entry DOI: 10.7270/Q2639Q0M |
More data for this
Ligand-Target Pair | |
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