Found 119 hits Enz. Inhib. hit(s) with all data for entry = 50038650 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 noradrenaline transporter
(Homo sapiens (Human)) | BDBM50272655
(((3S,4S)-4-(3-fluoro-2-methylphenoxy)-3,4-dihydro-...)Show SMILES CNC[C@@H]1OCc2ccccc2[C@@H]1Oc1cccc(F)c1C |r| Show InChI InChI=1S/C18H20FNO2/c1-12-15(19)8-5-9-16(12)22-18-14-7-4-3-6-13(14)11-21-17(18)10-20-2/h3-9,17-18,20H,10-11H2,1-2H3/t17-,18-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of norepinephrine uptake at human NET expressed in HEK293 cells |
Bioorg Med Chem Lett 18: 4491-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.049
BindingDB Entry DOI: 10.7270/Q2S75H8V |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50272654
(CHEMBL526270 | N-methyl((3S,4S)-4-(2-(trifluoromet...)Show SMILES CNC[C@@H]1OCc2ccccc2[C@@H]1Oc1ccccc1C(F)(F)F |r| Show InChI InChI=1S/C18H18F3NO2/c1-22-10-16-17(13-7-3-2-6-12(13)11-23-16)24-15-9-5-4-8-14(15)18(19,20)21/h2-9,16-17,22H,10-11H2,1H3/t16-,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 | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of norepinephrine uptake at human NET expressed in HEK293 cells |
Bioorg Med Chem Lett 18: 4491-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.049
BindingDB Entry DOI: 10.7270/Q2S75H8V |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50370475
(S,S-REBOXETINE)Show SMILES CCOc1ccccc1O[C@H]([C@H]1CNCCO1)c1ccccc1 |r| Show InChI InChI=1S/C19H23NO3/c1-2-21-16-10-6-7-11-17(16)23-19(15-8-4-3-5-9-15)18-14-20-12-13-22-18/h3-11,18-20H,2,12-14H2,1H3/t18-,19+/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of norepinephrine uptake at human NET expressed in HEK293 cells |
Bioorg Med Chem Lett 18: 4491-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.049
BindingDB Entry DOI: 10.7270/Q2S75H8V |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50272728
(((3S,4S)-4-(2-fluoro-6-methylphenoxy)-3,4-dihydro-...)Show SMILES CNC[C@@H]1OCc2ccccc2[C@@H]1Oc1c(C)cccc1F |r| Show InChI InChI=1S/C18H20FNO2/c1-12-6-5-9-15(19)17(12)22-18-14-8-4-3-7-13(14)11-21-16(18)10-20-2/h3-9,16,18,20H,10-11H2,1-2H3/t16-,18-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of norepinephrine uptake at human NET expressed in HEK293 cells |
Bioorg Med Chem Lett 18: 4491-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.049
BindingDB Entry DOI: 10.7270/Q2S75H8V |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50272730
(((3S,4S)-4-(2-fluoro-6-(trifluoromethyl)phenoxy)-3...)Show SMILES CNC[C@@H]1OCc2ccccc2[C@@H]1Oc1c(F)cccc1C(F)(F)F |r| Show InChI InChI=1S/C18H17F4NO2/c1-23-9-15-16(12-6-3-2-5-11(12)10-24-15)25-17-13(18(20,21)22)7-4-8-14(17)19/h2-8,15-16,23H,9-10H2,1H3/t15-,16-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of norepinephrine uptake at human NET expressed in HEK293 cells |
Bioorg Med Chem Lett 18: 4491-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.049
BindingDB Entry DOI: 10.7270/Q2S75H8V |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50272717
(CHEMBL505433 | N-methyl((3S,4S)-4-(o-tolyloxy)-3,4...)Show InChI InChI=1S/C18H21NO2/c1-13-7-3-6-10-16(13)21-18-15-9-5-4-8-14(15)12-20-17(18)11-19-2/h3-10,17-19H,11-12H2,1-2H3/t17-,18-/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 | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of norepinephrine uptake at human NET expressed in HEK293 cells |
Bioorg Med Chem Lett 18: 4491-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.049
BindingDB Entry DOI: 10.7270/Q2S75H8V |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50366567
(ATOMOXETINE)Show InChI InChI=1S/C17H21NO/c1-14-8-6-7-11-16(14)19-17(12-13-18-2)15-9-4-3-5-10-15/h3-11,17-18H,12-13H2,1-2H3/t17-/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
DrugBank
MCE
PC cid
PC sid
UniChem
Similars
| DrugBank
Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of norepinephrine uptake at human NET expressed in HEK293 cells |
Bioorg Med Chem Lett 18: 4491-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.049
BindingDB Entry DOI: 10.7270/Q2S75H8V |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50272745
(((3R,4R)-4-(2-ethylphenoxy)-3,4-dihydro-2H-chromen...)Show SMILES CCc1ccccc1O[C@@H]1[C@H](CNC)COc2ccccc12 |r| Show InChI InChI=1S/C19H23NO2/c1-3-14-8-4-6-10-17(14)22-19-15(12-20-2)13-21-18-11-7-5-9-16(18)19/h4-11,15,19-20H,3,12-13H2,1-2H3/t15-,19-/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of norepinephrine uptake at human NET expressed in HEK293 cells |
Bioorg Med Chem Lett 18: 4491-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.049
BindingDB Entry DOI: 10.7270/Q2S75H8V |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50272646
(CHEMBL525375 | N-methyl((1R,2S)-1-(o-tolyloxy)-1,2...)Show InChI InChI=1S/C19H23NO/c1-14-7-3-6-10-18(14)21-19-16(13-20-2)12-11-15-8-4-5-9-17(15)19/h3-10,16,19-20H,11-13H2,1-2H3/t16-,19+/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of norepinephrine uptake at human NET expressed in HEK293 cells |
Bioorg Med Chem Lett 18: 4491-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.049
BindingDB Entry DOI: 10.7270/Q2S75H8V |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50272691
(((3S,4S)-4-(2-chlorophenoxy)-3,4-dihydro-1H-isochr...)Show InChI InChI=1S/C17H18ClNO2/c1-19-10-16-17(21-15-9-5-4-8-14(15)18)13-7-3-2-6-12(13)11-20-16/h2-9,16-17,19H,10-11H2,1H3/t16-,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 | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of norepinephrine uptake at human NET expressed in HEK293 cells |
Bioorg Med Chem Lett 18: 4491-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.049
BindingDB Entry DOI: 10.7270/Q2S75H8V |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50272749
(3-methyl-4-((3S,4S)-3-((methylamino)methyl)-3,4-di...)Show SMILES CNC[C@@H]1OCc2ccccc2[C@@H]1Oc1ccc(O)cc1C |r| Show InChI InChI=1S/C18H21NO3/c1-12-9-14(20)7-8-16(12)22-18-15-6-4-3-5-13(15)11-21-17(18)10-19-2/h3-9,17-20H,10-11H2,1-2H3/t17-,18-/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 | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of norepinephrine uptake at human NET expressed in HEK293 cells |
Bioorg Med Chem Lett 18: 4491-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.049
BindingDB Entry DOI: 10.7270/Q2S75H8V |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50272643
(((3R,4R)-4-(2-chlorophenoxy)-3,4-dihydro-2H-chrome...)Show InChI InChI=1S/C17H18ClNO2/c1-19-10-12-11-20-15-8-4-2-6-13(15)17(12)21-16-9-5-3-7-14(16)18/h2-9,12,17,19H,10-11H2,1H3/t12-,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 | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of norepinephrine uptake at human NET expressed in HEK293 cells |
Bioorg Med Chem Lett 18: 4491-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.049
BindingDB Entry DOI: 10.7270/Q2S75H8V |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50272694
(((3R,4R)-4-(2,3-dimethylphenoxy)-3,4-dihydro-1H-is...)Show InChI InChI=1S/C19H23NO2/c1-13-7-6-10-17(14(13)2)22-19-16-9-5-4-8-15(16)12-21-18(19)11-20-3/h4-10,18-20H,11-12H2,1-3H3/t18-,19-/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of norepinephrine uptake at human NET expressed in HEK293 cells |
Bioorg Med Chem Lett 18: 4491-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.049
BindingDB Entry DOI: 10.7270/Q2S75H8V |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50272719
(CHEMBL526669 | N-methyl((3R,4S)-4-(o-tolyloxy)-3,4...)Show InChI InChI=1S/C18H21NO2/c1-13-7-3-6-10-16(13)21-18-15-9-5-4-8-14(15)12-20-17(18)11-19-2/h3-10,17-19H,11-12H2,1-2H3/t17-,18+/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 | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of norepinephrine uptake at human NET expressed in HEK293 cells |
Bioorg Med Chem Lett 18: 4491-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.049
BindingDB Entry DOI: 10.7270/Q2S75H8V |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50272749
(3-methyl-4-((3S,4S)-3-((methylamino)methyl)-3,4-di...)Show SMILES CNC[C@@H]1OCc2ccccc2[C@@H]1Oc1ccc(O)cc1C |r| Show InChI InChI=1S/C18H21NO3/c1-12-9-14(20)7-8-16(12)22-18-15-6-4-3-5-13(15)11-21-17(18)10-19-2/h3-9,17-20H,10-11H2,1-2H3/t17-,18-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of serotonin uptake at human SERT expressed in HEK293 cells |
Bioorg Med Chem Lett 18: 4491-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.049
BindingDB Entry DOI: 10.7270/Q2S75H8V |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50272715
(((3R,4R)-4-(o-tolyloxy)-3,4-dihydro-2H-chromen-3-y...)Show InChI InChI=1S/C17H19NO2/c1-12-6-2-4-8-15(12)20-17-13(10-18)11-19-16-9-5-3-7-14(16)17/h2-9,13,17H,10-11,18H2,1H3/t13-,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 | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of norepinephrine uptake at human NET expressed in HEK293 cells |
Bioorg Med Chem Lett 18: 4491-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.049
BindingDB Entry DOI: 10.7270/Q2S75H8V |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50272748
(((3S,4S)-4-(2,3-dimethylphenoxy)-3,4-dihydro-1H-is...)Show SMILES CNC[C@@H]1OCc2ccccc2[C@@H]1Oc1cccc(C)c1C |r| Show InChI InChI=1S/C19H23NO2/c1-13-7-6-10-17(14(13)2)22-19-16-9-5-4-8-15(16)12-21-18(19)11-20-3/h4-10,18-20H,11-12H2,1-3H3/t18-,19-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 39 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of norepinephrine uptake at human NET expressed in HEK293 cells |
Bioorg Med Chem Lett 18: 4491-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.049
BindingDB Entry DOI: 10.7270/Q2S75H8V |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50272645
(CHEMBL445082 | N-methyl((3R,4R)-4-(o-tolyloxy)-3,4...)Show InChI InChI=1S/C18H21NO2/c1-13-7-3-5-9-16(13)21-18-14(11-19-2)12-20-17-10-6-4-8-15(17)18/h3-10,14,18-19H,11-12H2,1-2H3/t14-,18-/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 | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of norepinephrine uptake at human NET expressed in HEK293 cells |
Bioorg Med Chem Lett 18: 4491-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.049
BindingDB Entry DOI: 10.7270/Q2S75H8V |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50272748
(((3S,4S)-4-(2,3-dimethylphenoxy)-3,4-dihydro-1H-is...)Show SMILES CNC[C@@H]1OCc2ccccc2[C@@H]1Oc1cccc(C)c1C |r| Show InChI InChI=1S/C19H23NO2/c1-13-7-6-10-17(14(13)2)22-19-16-9-5-4-8-15(16)12-21-18(19)11-20-3/h4-10,18-20H,11-12H2,1-3H3/t18-,19-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant CYP32D6 |
Bioorg Med Chem Lett 18: 4491-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.049
BindingDB Entry DOI: 10.7270/Q2S75H8V |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50272746
(((3S,4S)-4-(2-ethylphenoxy)-3,4-dihydro-2H-chromen...)Show SMILES CCc1ccccc1O[C@H]1[C@@H](CNC)COc2ccccc12 |r| Show InChI InChI=1S/C19H23NO2/c1-3-14-8-4-6-10-17(14)22-19-15(12-20-2)13-21-18-11-7-5-9-16(18)19/h4-11,15,19-20H,3,12-13H2,1-2H3/t15-,19-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant CYP32D6 |
Bioorg Med Chem Lett 18: 4491-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.049
BindingDB Entry DOI: 10.7270/Q2S75H8V |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50272688
(((3S,4S)-4-(o-tolyloxy)-3,4-dihydro-1H-isochromen-...)Show InChI InChI=1S/C17H19NO2/c1-12-6-2-5-9-15(12)20-17-14-8-4-3-7-13(14)11-19-16(17)10-18/h2-9,16-17H,10-11,18H2,1H3/t16-,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 | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of norepinephrine uptake at human NET expressed in HEK293 cells |
Bioorg Med Chem Lett 18: 4491-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.049
BindingDB Entry DOI: 10.7270/Q2S75H8V |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50272742
(CHEMBL497463 | N-methyl((1S,2R)-1-(o-tolyloxy)-1,2...)Show InChI InChI=1S/C19H23NO/c1-14-7-3-6-10-18(14)21-19-16(13-20-2)12-11-15-8-4-5-9-17(15)19/h3-10,16,19-20H,11-13H2,1-2H3/t16-,19+/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of norepinephrine uptake at human NET expressed in HEK293 cells |
Bioorg Med Chem Lett 18: 4491-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.049
BindingDB Entry DOI: 10.7270/Q2S75H8V |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50366567
(ATOMOXETINE)Show InChI InChI=1S/C17H21NO/c1-14-8-6-7-11-16(14)19-17(12-13-18-2)15-9-4-3-5-10-15/h3-11,17-18H,12-13H2,1-2H3/t17-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
DrugBank
MCE
PC cid
PC sid
UniChem
Similars
| DrugBank
Article
PubMed
| n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of serotonin uptake at human SERT expressed in HEK293 cells |
Bioorg Med Chem Lett 18: 4491-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.049
BindingDB Entry DOI: 10.7270/Q2S75H8V |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50272743
(CHEMBL498142 | N-methyl((3S,4S)-4-(o-tolyloxy)-3,4...)Show InChI InChI=1S/C18H21NO2/c1-13-7-3-5-9-16(13)21-18-14(11-19-2)12-20-17-10-6-4-8-15(17)18/h3-10,14,18-19H,11-12H2,1-2H3/t14-,18-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant CYP32D6 |
Bioorg Med Chem Lett 18: 4491-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.049
BindingDB Entry DOI: 10.7270/Q2S75H8V |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50272647
(CHEMBL498495 | N-methyl((3S,4R)-4-(o-tolyloxy)-3,4...)Show InChI InChI=1S/C18H21NO2/c1-13-7-3-5-9-16(13)21-18-14(11-19-2)12-20-17-10-6-4-8-15(17)18/h3-10,14,18-19H,11-12H2,1-2H3/t14-,18+/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 | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of norepinephrine uptake at human NET expressed in HEK293 cells |
Bioorg Med Chem Lett 18: 4491-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.049
BindingDB Entry DOI: 10.7270/Q2S75H8V |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50272747
(((3S,4S)-4-(2-chlorophenoxy)-3,4-dihydro-2H-chrome...)Show InChI InChI=1S/C17H18ClNO2/c1-19-10-12-11-20-15-8-4-2-6-13(15)17(12)21-16-9-5-3-7-14(16)18/h2-9,12,17,19H,10-11H2,1H3/t12-,17-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant CYP32D6 |
Bioorg Med Chem Lett 18: 4491-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.049
BindingDB Entry DOI: 10.7270/Q2S75H8V |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50272647
(CHEMBL498495 | N-methyl((3S,4R)-4-(o-tolyloxy)-3,4...)Show InChI InChI=1S/C18H21NO2/c1-13-7-3-5-9-16(13)21-18-14(11-19-2)12-20-17-10-6-4-8-15(17)18/h3-10,14,18-19H,11-12H2,1-2H3/t14-,18+/m0/s1 | PDB
UniProtKB/SwissProt
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 |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant CYP32D6 |
Bioorg Med Chem Lett 18: 4491-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.049
BindingDB Entry DOI: 10.7270/Q2S75H8V |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50272730
(((3S,4S)-4-(2-fluoro-6-(trifluoromethyl)phenoxy)-3...)Show SMILES CNC[C@@H]1OCc2ccccc2[C@@H]1Oc1c(F)cccc1C(F)(F)F |r| Show InChI InChI=1S/C18H17F4NO2/c1-23-9-15-16(12-6-3-2-5-11(12)10-24-15)25-17-13(18(20,21)22)7-4-8-14(17)19/h2-8,15-16,23H,9-10H2,1H3/t15-,16-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 220 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant CYP32D6 |
Bioorg Med Chem Lett 18: 4491-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.049
BindingDB Entry DOI: 10.7270/Q2S75H8V |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50272747
(((3S,4S)-4-(2-chlorophenoxy)-3,4-dihydro-2H-chrome...)Show InChI InChI=1S/C17H18ClNO2/c1-19-10-12-11-20-15-8-4-2-6-13(15)17(12)21-16-9-5-3-7-14(16)18/h2-9,12,17,19H,10-11H2,1H3/t12-,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 | 230 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of norepinephrine uptake at human NET expressed in HEK293 cells |
Bioorg Med Chem Lett 18: 4491-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.049
BindingDB Entry DOI: 10.7270/Q2S75H8V |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50272748
(((3S,4S)-4-(2,3-dimethylphenoxy)-3,4-dihydro-1H-is...)Show SMILES CNC[C@@H]1OCc2ccccc2[C@@H]1Oc1cccc(C)c1C |r| Show InChI InChI=1S/C19H23NO2/c1-13-7-6-10-17(14(13)2)22-19-16-9-5-4-8-15(16)12-21-18(19)11-20-3/h4-10,18-20H,11-12H2,1-3H3/t18-,19-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of serotonin uptake at human SERT expressed in HEK293 cells |
Bioorg Med Chem Lett 18: 4491-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.049
BindingDB Entry DOI: 10.7270/Q2S75H8V |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50272655
(((3S,4S)-4-(3-fluoro-2-methylphenoxy)-3,4-dihydro-...)Show SMILES CNC[C@@H]1OCc2ccccc2[C@@H]1Oc1cccc(F)c1C |r| Show InChI InChI=1S/C18H20FNO2/c1-12-15(19)8-5-9-16(12)22-18-14-7-4-3-6-13(14)11-21-17(18)10-20-2/h3-9,17-18,20H,10-11H2,1-2H3/t17-,18-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of serotonin uptake at human SERT expressed in HEK293 cells |
Bioorg Med Chem Lett 18: 4491-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.049
BindingDB Entry DOI: 10.7270/Q2S75H8V |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50272728
(((3S,4S)-4-(2-fluoro-6-methylphenoxy)-3,4-dihydro-...)Show SMILES CNC[C@@H]1OCc2ccccc2[C@@H]1Oc1c(C)cccc1F |r| Show InChI InChI=1S/C18H20FNO2/c1-12-6-5-9-15(19)17(12)22-18-14-8-4-3-7-13(14)11-21-16(18)10-20-2/h3-9,16,18,20H,10-11H2,1-2H3/t16-,18-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 310 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant CYP32D6 |
Bioorg Med Chem Lett 18: 4491-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.049
BindingDB Entry DOI: 10.7270/Q2S75H8V |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50272692
(((3R,4R)-4-(2-chlorophenoxy)-3,4-dihydro-1H-isochr...)Show InChI InChI=1S/C17H18ClNO2/c1-19-10-16-17(21-15-9-5-4-8-14(15)18)13-7-3-2-6-12(13)11-20-16/h2-9,16-17,19H,10-11H2,1H3/t16-,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 | 370 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of norepinephrine uptake at human NET expressed in HEK293 cells |
Bioorg Med Chem Lett 18: 4491-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.049
BindingDB Entry DOI: 10.7270/Q2S75H8V |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50272654
(CHEMBL526270 | N-methyl((3S,4S)-4-(2-(trifluoromet...)Show SMILES CNC[C@@H]1OCc2ccccc2[C@@H]1Oc1ccccc1C(F)(F)F |r| Show InChI InChI=1S/C18H18F3NO2/c1-22-10-16-17(13-7-3-2-6-12(13)11-23-16)24-15-9-5-4-8-14(15)18(19,20)21/h2-9,16-17,22H,10-11H2,1H3/t16-,17-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 370 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant CYP32D6 |
Bioorg Med Chem Lett 18: 4491-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.049
BindingDB Entry DOI: 10.7270/Q2S75H8V |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50272743
(CHEMBL498142 | N-methyl((3S,4S)-4-(o-tolyloxy)-3,4...)Show InChI InChI=1S/C18H21NO2/c1-13-7-3-5-9-16(13)21-18-14(11-19-2)12-20-17-10-6-4-8-15(17)18/h3-10,14,18-19H,11-12H2,1-2H3/t14-,18-/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 | 370 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of norepinephrine uptake at human NET expressed in HEK293 cells |
Bioorg Med Chem Lett 18: 4491-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.049
BindingDB Entry DOI: 10.7270/Q2S75H8V |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50272694
(((3R,4R)-4-(2,3-dimethylphenoxy)-3,4-dihydro-1H-is...)Show InChI InChI=1S/C19H23NO2/c1-13-7-6-10-17(14(13)2)22-19-16-9-5-4-8-15(16)12-21-18(19)11-20-3/h4-10,18-20H,11-12H2,1-3H3/t18-,19-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 390 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of serotonin uptake at human SERT expressed in HEK293 cells |
Bioorg Med Chem Lett 18: 4491-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.049
BindingDB Entry DOI: 10.7270/Q2S75H8V |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50272745
(((3R,4R)-4-(2-ethylphenoxy)-3,4-dihydro-2H-chromen...)Show SMILES CCc1ccccc1O[C@@H]1[C@H](CNC)COc2ccccc12 |r| Show InChI InChI=1S/C19H23NO2/c1-3-14-8-4-6-10-17(14)22-19-15(12-20-2)13-21-18-11-7-5-9-16(18)19/h4-11,15,19-20H,3,12-13H2,1-2H3/t15-,19-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant CYP32D6 |
Bioorg Med Chem Lett 18: 4491-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.049
BindingDB Entry DOI: 10.7270/Q2S75H8V |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50272690
(CHEMBL497461 | N-methyl((3R,4S)-4-(o-tolyloxy)-3,4...)Show InChI InChI=1S/C18H21NO2/c1-13-7-3-5-9-16(13)21-18-14(11-19-2)12-20-17-10-6-4-8-15(17)18/h3-10,14,18-19H,11-12H2,1-2H3/t14-,18+/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 | 420 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of norepinephrine uptake at human NET expressed in HEK293 cells |
Bioorg Med Chem Lett 18: 4491-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.049
BindingDB Entry DOI: 10.7270/Q2S75H8V |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50272687
(((3S,4S)-4-(o-tolyloxy)-3,4-dihydro-2H-chromen-3-y...)Show InChI InChI=1S/C17H19NO2/c1-12-6-2-4-8-15(12)20-17-13(10-18)11-19-16-9-5-3-7-14(16)17/h2-9,13,17H,10-11,18H2,1H3/t13-,17-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 440 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant CYP32D6 |
Bioorg Med Chem Lett 18: 4491-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.049
BindingDB Entry DOI: 10.7270/Q2S75H8V |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50272691
(((3S,4S)-4-(2-chlorophenoxy)-3,4-dihydro-1H-isochr...)Show InChI InChI=1S/C17H18ClNO2/c1-19-10-16-17(21-15-9-5-4-8-14(15)18)13-7-3-2-6-12(13)11-20-16/h2-9,16-17,19H,10-11H2,1H3/t16-,17-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of serotonin uptake at human SERT expressed in HEK293 cells |
Bioorg Med Chem Lett 18: 4491-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.049
BindingDB Entry DOI: 10.7270/Q2S75H8V |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50272728
(((3S,4S)-4-(2-fluoro-6-methylphenoxy)-3,4-dihydro-...)Show SMILES CNC[C@@H]1OCc2ccccc2[C@@H]1Oc1c(C)cccc1F |r| Show InChI InChI=1S/C18H20FNO2/c1-12-6-5-9-15(19)17(12)22-18-14-8-4-3-7-13(14)11-21-16(18)10-20-2/h3-9,16,18,20H,10-11H2,1-2H3/t16-,18-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 560 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of serotonin uptake at human SERT expressed in HEK293 cells |
Bioorg Med Chem Lett 18: 4491-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.049
BindingDB Entry DOI: 10.7270/Q2S75H8V |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50272746
(((3S,4S)-4-(2-ethylphenoxy)-3,4-dihydro-2H-chromen...)Show SMILES CCc1ccccc1O[C@H]1[C@@H](CNC)COc2ccccc12 |r| Show InChI InChI=1S/C19H23NO2/c1-3-14-8-4-6-10-17(14)22-19-15(12-20-2)13-21-18-11-7-5-9-16(18)19/h4-11,15,19-20H,3,12-13H2,1-2H3/t15-,19-/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 | 690 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of norepinephrine uptake at human NET expressed in HEK293 cells |
Bioorg Med Chem Lett 18: 4491-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.049
BindingDB Entry DOI: 10.7270/Q2S75H8V |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50272691
(((3S,4S)-4-(2-chlorophenoxy)-3,4-dihydro-1H-isochr...)Show InChI InChI=1S/C17H18ClNO2/c1-19-10-16-17(21-15-9-5-4-8-14(15)18)13-7-3-2-6-12(13)11-20-16/h2-9,16-17,19H,10-11H2,1H3/t16-,17-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 700 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant CYP32D6 |
Bioorg Med Chem Lett 18: 4491-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.049
BindingDB Entry DOI: 10.7270/Q2S75H8V |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50272655
(((3S,4S)-4-(3-fluoro-2-methylphenoxy)-3,4-dihydro-...)Show SMILES CNC[C@@H]1OCc2ccccc2[C@@H]1Oc1cccc(F)c1C |r| Show InChI InChI=1S/C18H20FNO2/c1-12-15(19)8-5-9-16(12)22-18-14-7-4-3-6-13(14)11-21-17(18)10-20-2/h3-9,17-18,20H,10-11H2,1-2H3/t17-,18-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 740 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant CYP32D6 |
Bioorg Med Chem Lett 18: 4491-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.049
BindingDB Entry DOI: 10.7270/Q2S75H8V |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50272717
(CHEMBL505433 | N-methyl((3S,4S)-4-(o-tolyloxy)-3,4...)Show InChI InChI=1S/C18H21NO2/c1-13-7-3-6-10-16(13)21-18-15-9-5-4-8-14(15)12-20-17(18)11-19-2/h3-10,17-19H,11-12H2,1-2H3/t17-,18-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 800 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant CYP32D6 |
Bioorg Med Chem Lett 18: 4491-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.049
BindingDB Entry DOI: 10.7270/Q2S75H8V |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50272719
(CHEMBL526669 | N-methyl((3R,4S)-4-(o-tolyloxy)-3,4...)Show InChI InChI=1S/C18H21NO2/c1-13-7-3-6-10-16(13)21-18-15-9-5-4-8-14(15)12-20-17(18)11-19-2/h3-10,17-19H,11-12H2,1-2H3/t17-,18+/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 800 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant CYP32D6 |
Bioorg Med Chem Lett 18: 4491-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.049
BindingDB Entry DOI: 10.7270/Q2S75H8V |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50272646
(CHEMBL525375 | N-methyl((1R,2S)-1-(o-tolyloxy)-1,2...)Show InChI InChI=1S/C19H23NO/c1-14-7-3-6-10-18(14)21-19-16(13-20-2)12-11-15-8-4-5-9-17(15)19/h3-10,16,19-20H,11-13H2,1-2H3/t16-,19+/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 800 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant CYP32D6 |
Bioorg Med Chem Lett 18: 4491-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.049
BindingDB Entry DOI: 10.7270/Q2S75H8V |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50272694
(((3R,4R)-4-(2,3-dimethylphenoxy)-3,4-dihydro-1H-is...)Show InChI InChI=1S/C19H23NO2/c1-13-7-6-10-17(14(13)2)22-19-16-9-5-4-8-15(16)12-21-18(19)11-20-3/h4-10,18-20H,11-12H2,1-3H3/t18-,19-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 880 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of recombinant CYP32D6 |
Bioorg Med Chem Lett 18: 4491-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.049
BindingDB Entry DOI: 10.7270/Q2S75H8V |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50272717
(CHEMBL505433 | N-methyl((3S,4S)-4-(o-tolyloxy)-3,4...)Show InChI InChI=1S/C18H21NO2/c1-13-7-3-6-10-16(13)21-18-15-9-5-4-8-14(15)12-20-17(18)11-19-2/h3-10,17-19H,11-12H2,1-2H3/t17-,18-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 900 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of serotonin uptake at human SERT expressed in HEK293 cells |
Bioorg Med Chem Lett 18: 4491-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.049
BindingDB Entry DOI: 10.7270/Q2S75H8V |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50272693
(CHEMBL498141 | N-methyl((3R,4R)-4-(2-(trifluoromet...)Show SMILES CNC[C@H]1OCc2ccccc2[C@H]1Oc1ccccc1C(F)(F)F |r| Show InChI InChI=1S/C18H18F3NO2/c1-22-10-16-17(13-7-3-2-6-12(13)11-23-16)24-15-9-5-4-8-14(15)18(19,20)21/h2-9,16-17,22H,10-11H2,1H3/t16-,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 | 900 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Biosciences, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of norepinephrine uptake at human NET expressed in HEK293 cells |
Bioorg Med Chem Lett 18: 4491-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.049
BindingDB Entry DOI: 10.7270/Q2S75H8V |
More data for this
Ligand-Target Pair | |
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