Found 141 hits Enz. Inhib. hit(s) with all data for entry = 50038229 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)) | BDBM50373281
(CHEMBL402441)Show SMILES NC[C@@H]1C[C@@]1(C(=O)N(CC#C)CC#C)c1ccc2OCCOc2c1 Show InChI InChI=1S/C19H20N2O3/c1-3-7-21(8-4-2)18(22)19(12-15(19)13-20)14-5-6-16-17(11-14)24-10-9-23-16/h1-2,5-6,11,15H,7-10,12-13,20H2/t15-,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 | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Bioscience, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human NET |
Bioorg Med Chem Lett 18: 3328-32 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.025
BindingDB Entry DOI: 10.7270/Q21V5FTK |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50373250
(CHEMBL427904)Show SMILES CCN(CC=C)C(=O)[C@]1(C[C@H]1CN)c1ccc2OCCOc2c1 Show InChI InChI=1S/C18H24N2O3/c1-3-7-20(4-2)17(21)18(11-14(18)12-19)13-5-6-15-16(10-13)23-9-8-22-15/h3,5-6,10,14H,1,4,7-9,11-12,19H2,2H3/t14-,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 | 2.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Bioscience, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human NET |
Bioorg Med Chem Lett 18: 3328-32 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.025
BindingDB Entry DOI: 10.7270/Q21V5FTK |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50373284
(CHEMBL404729)Show SMILES NC[C@@H]1C[C@@]1(C(=O)N(CC=C)CC(F)=C)c1ccc2OCCOc2c1 Show InChI InChI=1S/C19H23FN2O3/c1-3-6-22(12-13(2)20)18(23)19(10-15(19)11-21)14-4-5-16-17(9-14)25-8-7-24-16/h3-5,9,15H,1-2,6-8,10-12,21H2/t15-,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 | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Bioscience, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human NET |
Bioorg Med Chem Lett 18: 3328-32 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.025
BindingDB Entry DOI: 10.7270/Q21V5FTK |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50373282
(CHEMBL256557)Show SMILES NC[C@@H]1C[C@@]1(C(=O)N(CC=C)CC=C)c1ccc2OCCOc2c1 Show InChI InChI=1S/C19H24N2O3/c1-3-7-21(8-4-2)18(22)19(12-15(19)13-20)14-5-6-16-17(11-14)24-10-9-23-16/h3-6,11,15H,1-2,7-10,12-13,20H2/t15-,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 | 3.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Bioscience, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human NET |
Bioorg Med Chem Lett 18: 3328-32 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.025
BindingDB Entry DOI: 10.7270/Q21V5FTK |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50373286
(CHEMBL404730)Show SMILES NC[C@@H]1C[C@@]1(C(=O)N(CC#C)CC1CC1)c1ccc2OCCOc2c1 Show InChI InChI=1S/C20H24N2O3/c1-2-7-22(13-14-3-4-14)19(23)20(11-16(20)12-21)15-5-6-17-18(10-15)25-9-8-24-17/h1,5-6,10,14,16H,3-4,7-9,11-13,21H2/t16-,20+/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Bioscience, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human NET |
Bioorg Med Chem Lett 18: 3328-32 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.025
BindingDB Entry DOI: 10.7270/Q21V5FTK |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50373283
(CHEMBL258451)Show SMILES NC[C@@H]1C[C@@]1(C(=O)N(CC#C)CC(F)=C)c1ccc2OCCOc2c1 Show InChI InChI=1S/C19H21FN2O3/c1-3-6-22(12-13(2)20)18(23)19(10-15(19)11-21)14-4-5-16-17(9-14)25-8-7-24-16/h1,4-5,9,15H,2,6-8,10-12,21H2/t15-,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 | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Bioscience, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human NET |
Bioorg Med Chem Lett 18: 3328-32 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.025
BindingDB Entry DOI: 10.7270/Q21V5FTK |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50373256
(CHEMBL409715)Show SMILES NC[C@@H]1C[C@@]1(C(=O)N1CCc2ccccc12)c1ccc2OCOc2c1 Show InChI InChI=1S/C20H20N2O3/c21-11-15-10-20(15,14-5-6-17-18(9-14)25-12-24-17)19(23)22-8-7-13-3-1-2-4-16(13)22/h1-6,9,15H,7-8,10-12,21H2/t15-,20+/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Bioscience, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human NET |
Bioorg Med Chem Lett 18: 3328-32 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.025
BindingDB Entry DOI: 10.7270/Q21V5FTK |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50373287
(CHEMBL257336)Show SMILES NC[C@@H]1C[C@@]1(C(=O)N(CC#C)C1CC1)c1ccc2OCCOc2c1 Show InChI InChI=1S/C19H22N2O3/c1-2-7-21(15-4-5-15)18(22)19(11-14(19)12-20)13-3-6-16-17(10-13)24-9-8-23-16/h1,3,6,10,14-15H,4-5,7-9,11-12,20H2/t14-,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 | 4.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Bioscience, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human NET |
Bioorg Med Chem Lett 18: 3328-32 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.025
BindingDB Entry DOI: 10.7270/Q21V5FTK |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50373279
(CHEMBL260440)Show SMILES NCC1CC1(C(=O)N1CCc2ccccc12)c1ccccc1 |w:2.1,4.18| Show InChI InChI=1S/C19H20N2O/c20-13-16-12-19(16,15-7-2-1-3-8-15)18(22)21-11-10-14-6-4-5-9-17(14)21/h1-9,16H,10-13,20H2 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Bioscience, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human NET |
Bioorg Med Chem Lett 18: 3328-32 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.025
BindingDB Entry DOI: 10.7270/Q21V5FTK |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50373265
(CHEMBL404013)Show SMILES NC[C@@H]1C[C@@]1(C(=O)N(CC=C)CC=C)c1ccc2OCCc2c1 Show InChI InChI=1S/C19H24N2O2/c1-3-8-21(9-4-2)18(22)19(12-16(19)13-20)15-5-6-17-14(11-15)7-10-23-17/h3-6,11,16H,1-2,7-10,12-13,20H2/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 | 4.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Bioscience, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human NET |
Bioorg Med Chem Lett 18: 3328-32 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.025
BindingDB Entry DOI: 10.7270/Q21V5FTK |
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 | 5.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Bioscience, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human NET |
Bioorg Med Chem Lett 18: 3328-32 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.025
BindingDB Entry DOI: 10.7270/Q21V5FTK |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50373249
(CHEMBL405613)Show SMILES CCN(CC(F)=C)C(=O)[C@]1(C[C@H]1CN)c1ccc2OCCOc2c1 Show InChI InChI=1S/C18H23FN2O3/c1-3-21(11-12(2)19)17(22)18(9-14(18)10-20)13-4-5-15-16(8-13)24-7-6-23-15/h4-5,8,14H,2-3,6-7,9-11,20H2,1H3/t14-,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 | 5.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Bioscience, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human NET |
Bioorg Med Chem Lett 18: 3328-32 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.025
BindingDB Entry DOI: 10.7270/Q21V5FTK |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50373255
(CHEMBL411655)Show SMILES NC[C@@H]1C[C@@]1(C(=O)N1CCOc2ccccc12)c1ccc2OCOc2c1 Show InChI InChI=1S/C20H20N2O4/c21-11-14-10-20(14,13-5-6-17-18(9-13)26-12-25-17)19(23)22-7-8-24-16-4-2-1-3-15(16)22/h1-6,9,14H,7-8,10-12,21H2/t14-,20+/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Bioscience, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human NET |
Bioorg Med Chem Lett 18: 3328-32 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.025
BindingDB Entry DOI: 10.7270/Q21V5FTK |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50373247
(CHEMBL260131)Show SMILES CCN(CC#C)C(=O)[C@]1(C[C@H]1CN)c1ccc2OCCOc2c1 Show InChI InChI=1S/C18H22N2O3/c1-3-7-20(4-2)17(21)18(11-14(18)12-19)13-5-6-15-16(10-13)23-9-8-22-15/h1,5-6,10,14H,4,7-9,11-12,19H2,2H3/t14-,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 | 5.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Bioscience, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human NET |
Bioorg Med Chem Lett 18: 3328-32 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.025
BindingDB Entry DOI: 10.7270/Q21V5FTK |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50373251
(CHEMBL264678)Show InChI InChI=1S/C17H24N2O3/c1-3-19(4-2)16(20)17(10-13(17)11-18)12-5-6-14-15(9-12)22-8-7-21-14/h5-6,9,13H,3-4,7-8,10-11,18H2,1-2H3/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 | 6.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Bioscience, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human NET |
Bioorg Med Chem Lett 18: 3328-32 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.025
BindingDB Entry DOI: 10.7270/Q21V5FTK |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50373252
(CHEMBL264430)Show SMILES NC[C@@H]1C[C@@]1(C(=O)N1CCc2ccccc2C1)c1ccc2OCOc2c1 Show InChI InChI=1S/C21H22N2O3/c22-11-17-10-21(17,16-5-6-18-19(9-16)26-13-25-18)20(24)23-8-7-14-3-1-2-4-15(14)12-23/h1-6,9,17H,7-8,10-13,22H2/t17-,21+/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Bioscience, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human NET |
Bioorg Med Chem Lett 18: 3328-32 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.025
BindingDB Entry DOI: 10.7270/Q21V5FTK |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50373258
(CHEMBL259694)Show SMILES NC[C@@H]1C[C@@]1(C(=O)N(CC=C)CC=C)c1ccc2OCOc2c1 Show InChI InChI=1S/C18H22N2O3/c1-3-7-20(8-4-2)17(21)18(10-14(18)11-19)13-5-6-15-16(9-13)23-12-22-15/h3-6,9,14H,1-2,7-8,10-12,19H2/t14-,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 | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Bioscience, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human NET |
Bioorg Med Chem Lett 18: 3328-32 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.025
BindingDB Entry DOI: 10.7270/Q21V5FTK |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50373259
(CHEMBL406789)Show SMILES CCN(CC=C)C(=O)[C@]1(C[C@H]1CN)c1ccc2OCOc2c1 Show InChI InChI=1S/C17H22N2O3/c1-3-7-19(4-2)16(20)17(9-13(17)10-18)12-5-6-14-15(8-12)22-11-21-14/h3,5-6,8,13H,1,4,7,9-11,18H2,2H3/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 | 7.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Bioscience, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human NET |
Bioorg Med Chem Lett 18: 3328-32 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.025
BindingDB Entry DOI: 10.7270/Q21V5FTK |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50373248
(CHEMBL408016)Show SMILES CCN(CC1CC1)C(=O)[C@]1(C[C@H]1CN)c1ccc2OCCOc2c1 Show InChI InChI=1S/C19H26N2O3/c1-2-21(12-13-3-4-13)18(22)19(10-15(19)11-20)14-5-6-16-17(9-14)24-8-7-23-16/h5-6,9,13,15H,2-4,7-8,10-12,20H2,1H3/t15-,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 | 7.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Bioscience, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human NET |
Bioorg Med Chem Lett 18: 3328-32 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.025
BindingDB Entry DOI: 10.7270/Q21V5FTK |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50373257
(CHEMBL408384)Show SMILES NC[C@@H]1C[C@@]1(C(=O)N(CC#C)CC#C)c1ccc2OCOc2c1 Show InChI InChI=1S/C18H18N2O3/c1-3-7-20(8-4-2)17(21)18(10-14(18)11-19)13-5-6-15-16(9-13)23-12-22-15/h1-2,5-6,9,14H,7-8,10-12,19H2/t14-,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 | 7.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Bioscience, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human NET |
Bioorg Med Chem Lett 18: 3328-32 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.025
BindingDB Entry DOI: 10.7270/Q21V5FTK |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50373285
(CHEMBL257335)Show SMILES CN(CC(F)=C)C(=O)[C@]1(C[C@H]1CN)c1ccc2OCCOc2c1 Show InChI InChI=1S/C17H21FN2O3/c1-11(18)10-20(2)16(21)17(8-13(17)9-19)12-3-4-14-15(7-12)23-6-5-22-14/h3-4,7,13H,1,5-6,8-10,19H2,2H3/t13-,17+/m0/s1 | Reactome pathway
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| n/a | n/a | 8.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Bioscience, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human NET |
Bioorg Med Chem Lett 18: 3328-32 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.025
BindingDB Entry DOI: 10.7270/Q21V5FTK |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50373253
(CHEMBL410015)Show SMILES NC[C@@H]1C[C@@]1(C(=O)N1CCc2sccc2C1)c1ccc2OCOc2c1 Show InChI InChI=1S/C19H20N2O3S/c20-9-14-8-19(14,13-1-2-15-16(7-13)24-11-23-15)18(22)21-5-3-17-12(10-21)4-6-25-17/h1-2,4,6-7,14H,3,5,8-11,20H2/t14-,19+/m0/s1 | Reactome pathway
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| n/a | n/a | 9.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Bioscience, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human NET |
Bioorg Med Chem Lett 18: 3328-32 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.025
BindingDB Entry DOI: 10.7270/Q21V5FTK |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50373246
(CHEMBL260988)Show InChI InChI=1S/C16H22N2O3/c1-3-18(4-2)15(19)16(8-12(16)9-17)11-5-6-13-14(7-11)21-10-20-13/h5-7,12H,3-4,8-10,17H2,1-2H3/t12-,16+/m0/s1 | Reactome pathway
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| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Bioscience, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human NET |
Bioorg Med Chem Lett 18: 3328-32 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.025
BindingDB Entry DOI: 10.7270/Q21V5FTK |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50373279
(CHEMBL260440)Show SMILES NCC1CC1(C(=O)N1CCc2ccccc12)c1ccccc1 |w:2.1,4.18| Show InChI InChI=1S/C19H20N2O/c20-13-16-12-19(16,15-7-2-1-3-8-15)18(22)21-11-10-14-6-4-5-9-17(14)21/h1-9,16H,10-13,20H2 | PDB
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| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Bioscience, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human SERT |
Bioorg Med Chem Lett 18: 3328-32 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.025
BindingDB Entry DOI: 10.7270/Q21V5FTK |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50373253
(CHEMBL410015)Show SMILES NC[C@@H]1C[C@@]1(C(=O)N1CCc2sccc2C1)c1ccc2OCOc2c1 Show InChI InChI=1S/C19H20N2O3S/c20-9-14-8-19(14,13-1-2-15-16(7-13)24-11-23-15)18(22)21-5-3-17-12(10-21)4-6-25-17/h1-2,4,6-7,14H,3,5,8-11,20H2/t14-,19+/m0/s1 | PDB
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| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Bioscience, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human SERT |
Bioorg Med Chem Lett 18: 3328-32 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.025
BindingDB Entry DOI: 10.7270/Q21V5FTK |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50373264
(CHEMBL408940)Show SMILES NC[C@@H]1C[C@@]1(C(=O)N(CC=C)CC#C)c1ccc2OCCc2c1 Show InChI InChI=1S/C19H22N2O2/c1-3-8-21(9-4-2)18(22)19(12-16(19)13-20)15-5-6-17-14(11-15)7-10-23-17/h1,4-6,11,16H,2,7-10,12-13,20H2/t16-,19+/m0/s1 | Reactome pathway
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| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Bioscience, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human NET |
Bioorg Med Chem Lett 18: 3328-32 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.025
BindingDB Entry DOI: 10.7270/Q21V5FTK |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50373280
(CHEMBL260439)Show SMILES CCN(CC=C)C(=O)C1(CC1CN)c1ccccc1 |w:8.13,10.11| Show InChI InChI=1S/C16H22N2O/c1-3-10-18(4-2)15(19)16(11-14(16)12-17)13-8-6-5-7-9-13/h3,5-9,14H,1,4,10-12,17H2,2H3 | Reactome pathway
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| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Bioscience, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human NET |
Bioorg Med Chem Lett 18: 3328-32 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.025
BindingDB Entry DOI: 10.7270/Q21V5FTK |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50373245
(CHEMBL260863)Show SMILES CC#CCN(CC=C)C(=O)[C@]1(C[C@H]1CN)c1ccc2OCOc2c1 Show InChI InChI=1S/C19H22N2O3/c1-3-5-9-21(8-4-2)18(22)19(11-15(19)12-20)14-6-7-16-17(10-14)24-13-23-16/h4,6-7,10,15H,2,8-9,11-13,20H2,1H3/t15-,19+/m0/s1 | Reactome pathway
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| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Bioscience, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human NET |
Bioorg Med Chem Lett 18: 3328-32 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.025
BindingDB Entry DOI: 10.7270/Q21V5FTK |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50373263
(CHEMBL411677)Show SMILES NC[C@@H]1C[C@@]1(C(=O)N(CC#C)CC#C)c1ccc2OCCc2c1 Show InChI InChI=1S/C19H20N2O2/c1-3-8-21(9-4-2)18(22)19(12-16(19)13-20)15-5-6-17-14(11-15)7-10-23-17/h1-2,5-6,11,16H,7-10,12-13,20H2/t16-,19+/m0/s1 | Reactome pathway
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| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Bioscience, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human NET |
Bioorg Med Chem Lett 18: 3328-32 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.025
BindingDB Entry DOI: 10.7270/Q21V5FTK |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50373267
(CHEMBL258180)Show SMILES CCN(CC=C)C(=O)[C@]1(C[C@H]1CN)c1ccc2OCCc2c1 Show InChI InChI=1S/C18H24N2O2/c1-3-8-20(4-2)17(21)18(11-15(18)12-19)14-5-6-16-13(10-14)7-9-22-16/h3,5-6,10,15H,1,4,7-9,11-12,19H2,2H3/t15-,18+/m0/s1 | Reactome pathway
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| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Bioscience, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human NET |
Bioorg Med Chem Lett 18: 3328-32 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.025
BindingDB Entry DOI: 10.7270/Q21V5FTK |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50373254
(CHEMBL411033)Show SMILES NC[C@@H]1C[C@@]1(C(=O)C1NCc2ccccc12)c1ccc2OCOc2c1 |w:7.7| Show InChI InChI=1S/C20H20N2O3/c21-9-14-8-20(14,13-5-6-16-17(7-13)25-11-24-16)19(23)18-15-4-2-1-3-12(15)10-22-18/h1-7,14,18,22H,8-11,21H2/t14-,18?,20+/m0/s1 | Reactome pathway
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| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Bioscience, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human NET |
Bioorg Med Chem Lett 18: 3328-32 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.025
BindingDB Entry DOI: 10.7270/Q21V5FTK |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50373266
(CHEMBL403469)Show SMILES CCCN(CC=C)C(=O)[C@]1(C[C@H]1CN)c1ccc2OCCc2c1 Show InChI InChI=1S/C19H26N2O2/c1-3-8-21(9-4-2)18(22)19(12-16(19)13-20)15-5-6-17-14(11-15)7-10-23-17/h3,5-6,11,16H,1,4,7-10,12-13,20H2,2H3/t16-,19+/m0/s1 | Reactome pathway
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| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Bioscience, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human NET |
Bioorg Med Chem Lett 18: 3328-32 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.025
BindingDB Entry DOI: 10.7270/Q21V5FTK |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50373281
(CHEMBL402441)Show SMILES NC[C@@H]1C[C@@]1(C(=O)N(CC#C)CC#C)c1ccc2OCCOc2c1 Show InChI InChI=1S/C19H20N2O3/c1-3-7-21(8-4-2)18(22)19(12-15(19)13-20)14-5-6-16-17(11-14)24-10-9-23-16/h1-2,5-6,11,15H,7-10,12-13,20H2/t15-,19+/m0/s1 | PDB
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| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Bioscience, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human SERT |
Bioorg Med Chem Lett 18: 3328-32 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.025
BindingDB Entry DOI: 10.7270/Q21V5FTK |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50373252
(CHEMBL264430)Show SMILES NC[C@@H]1C[C@@]1(C(=O)N1CCc2ccccc2C1)c1ccc2OCOc2c1 Show InChI InChI=1S/C21H22N2O3/c22-11-17-10-21(17,16-5-6-18-19(9-16)26-13-25-18)20(24)23-8-7-14-3-1-2-4-15(14)12-23/h1-6,9,17H,7-8,10-13,22H2/t17-,21+/m0/s1 | PDB
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| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Bioscience, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human SERT |
Bioorg Med Chem Lett 18: 3328-32 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.025
BindingDB Entry DOI: 10.7270/Q21V5FTK |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50373256
(CHEMBL409715)Show SMILES NC[C@@H]1C[C@@]1(C(=O)N1CCc2ccccc12)c1ccc2OCOc2c1 Show InChI InChI=1S/C20H20N2O3/c21-11-15-10-20(15,14-5-6-17-18(9-14)25-12-24-17)19(23)22-8-7-13-3-1-2-4-16(13)22/h1-6,9,15H,7-8,10-12,21H2/t15-,20+/m0/s1 | PDB
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| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Bioscience, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human SERT |
Bioorg Med Chem Lett 18: 3328-32 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.025
BindingDB Entry DOI: 10.7270/Q21V5FTK |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50373282
(CHEMBL256557)Show SMILES NC[C@@H]1C[C@@]1(C(=O)N(CC=C)CC=C)c1ccc2OCCOc2c1 Show InChI InChI=1S/C19H24N2O3/c1-3-7-21(8-4-2)18(22)19(12-15(19)13-20)14-5-6-16-17(11-14)24-10-9-23-16/h3-6,11,15H,1-2,7-10,12-13,20H2/t15-,19+/m0/s1 | PDB
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| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Bioscience, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human SERT |
Bioorg Med Chem Lett 18: 3328-32 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.025
BindingDB Entry DOI: 10.7270/Q21V5FTK |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50373284
(CHEMBL404729)Show SMILES NC[C@@H]1C[C@@]1(C(=O)N(CC=C)CC(F)=C)c1ccc2OCCOc2c1 Show InChI InChI=1S/C19H23FN2O3/c1-3-6-22(12-13(2)20)18(23)19(10-15(19)11-21)14-4-5-16-17(9-14)25-8-7-24-16/h3-5,9,15H,1-2,6-8,10-12,21H2/t15-,19+/m0/s1 | PDB
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| n/a | n/a | 39 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Bioscience, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human SERT |
Bioorg Med Chem Lett 18: 3328-32 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.025
BindingDB Entry DOI: 10.7270/Q21V5FTK |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50032379
((1S,2R)-2-(aminomethyl)-N,N-diethyl-1-phenylcyclop...)Show InChI InChI=1S/C15H22N2O/c1-3-17(4-2)14(18)15(10-13(15)11-16)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11,16H2,1-2H3/t13-,15+/m0/s1 | Reactome pathway
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| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Bioscience, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human NET |
Bioorg Med Chem Lett 18: 3328-32 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.025
BindingDB Entry DOI: 10.7270/Q21V5FTK |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50373262
(CHEMBL410054)Show SMILES CC#CCN(CC=C)C(=O)[C@]1(C[C@H]1CN)c1ccc2OCCc2c1 Show InChI InChI=1S/C20H24N2O2/c1-3-5-10-22(9-4-2)19(23)20(13-17(20)14-21)16-6-7-18-15(12-16)8-11-24-18/h4,6-7,12,17H,2,8-11,13-14,21H2,1H3/t17-,20+/m0/s1 | Reactome pathway
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| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Bioscience, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human NET |
Bioorg Med Chem Lett 18: 3328-32 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.025
BindingDB Entry DOI: 10.7270/Q21V5FTK |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50373270
(CHEMBL255303)Show InChI InChI=1S/C17H22N2OS/c1-3-19(4-2)16(20)17(10-14(17)11-18)13-5-6-15-12(9-13)7-8-21-15/h5-9,14H,3-4,10-11,18H2,1-2H3/t14-,17+/m0/s1 | Reactome pathway
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| n/a | n/a | 47 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Bioscience, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human NET |
Bioorg Med Chem Lett 18: 3328-32 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.025
BindingDB Entry DOI: 10.7270/Q21V5FTK |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50373269
(CHEMBL258450)Show InChI InChI=1S/C17H22N2O2/c1-3-19(4-2)16(20)17(10-14(17)11-18)13-5-6-15-12(9-13)7-8-21-15/h5-9,14H,3-4,10-11,18H2,1-2H3/t14-,17+/m0/s1 | Reactome pathway
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| n/a | n/a | 47 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Bioscience, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human NET |
Bioorg Med Chem Lett 18: 3328-32 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.025
BindingDB Entry DOI: 10.7270/Q21V5FTK |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50373257
(CHEMBL408384)Show SMILES NC[C@@H]1C[C@@]1(C(=O)N(CC#C)CC#C)c1ccc2OCOc2c1 Show InChI InChI=1S/C18H18N2O3/c1-3-7-20(8-4-2)17(21)18(10-14(18)11-19)13-5-6-15-16(9-13)23-12-22-15/h1-2,5-6,9,14H,7-8,10-12,19H2/t14-,18+/m0/s1 | PDB
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PubMed
| n/a | n/a | 49 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Bioscience, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human SERT |
Bioorg Med Chem Lett 18: 3328-32 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.025
BindingDB Entry DOI: 10.7270/Q21V5FTK |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50373283
(CHEMBL258451)Show SMILES NC[C@@H]1C[C@@]1(C(=O)N(CC#C)CC(F)=C)c1ccc2OCCOc2c1 Show InChI InChI=1S/C19H21FN2O3/c1-3-6-22(12-13(2)20)18(23)19(10-15(19)11-21)14-4-5-16-17(9-14)25-8-7-24-16/h1,4-5,9,15H,2,6-8,10-12,21H2/t15-,19+/m0/s1 | PDB
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| n/a | n/a | 54 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Bioscience, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human SERT |
Bioorg Med Chem Lett 18: 3328-32 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.025
BindingDB Entry DOI: 10.7270/Q21V5FTK |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50373258
(CHEMBL259694)Show SMILES NC[C@@H]1C[C@@]1(C(=O)N(CC=C)CC=C)c1ccc2OCOc2c1 Show InChI InChI=1S/C18H22N2O3/c1-3-7-20(8-4-2)17(21)18(10-14(18)11-19)13-5-6-15-16(9-13)23-12-22-15/h3-6,9,14H,1-2,7-8,10-12,19H2/t14-,18+/m0/s1 | PDB
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PubMed
| n/a | n/a | 58 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Bioscience, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human SERT |
Bioorg Med Chem Lett 18: 3328-32 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.025
BindingDB Entry DOI: 10.7270/Q21V5FTK |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50373245
(CHEMBL260863)Show SMILES CC#CCN(CC=C)C(=O)[C@]1(C[C@H]1CN)c1ccc2OCOc2c1 Show InChI InChI=1S/C19H22N2O3/c1-3-5-9-21(8-4-2)18(22)19(11-15(19)12-20)14-6-7-16-17(10-14)24-13-23-16/h4,6-7,10,15H,2,8-9,11-13,20H2,1H3/t15-,19+/m0/s1 | PDB
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PubMed
| n/a | n/a | 64 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Bioscience, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human SERT |
Bioorg Med Chem Lett 18: 3328-32 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.025
BindingDB Entry DOI: 10.7270/Q21V5FTK |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50373250
(CHEMBL427904)Show SMILES CCN(CC=C)C(=O)[C@]1(C[C@H]1CN)c1ccc2OCCOc2c1 Show InChI InChI=1S/C18H24N2O3/c1-3-7-20(4-2)17(21)18(11-14(18)12-19)13-5-6-15-16(10-13)23-9-8-22-15/h3,5-6,10,14H,1,4,7-9,11-12,19H2,2H3/t14-,18+/m0/s1 | PDB
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PubMed
| n/a | n/a | 65 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Bioscience, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human SERT |
Bioorg Med Chem Lett 18: 3328-32 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.025
BindingDB Entry DOI: 10.7270/Q21V5FTK |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50373271
(CHEMBL404145)Show InChI InChI=1S/C15H21FN2O/c1-3-18(4-2)14(19)15(9-12(15)10-17)11-6-5-7-13(16)8-11/h5-8,12H,3-4,9-10,17H2,1-2H3/t12-,15+/m0/s1 | Reactome pathway
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| n/a | n/a | 73 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Bioscience, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human NET |
Bioorg Med Chem Lett 18: 3328-32 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.025
BindingDB Entry DOI: 10.7270/Q21V5FTK |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50032379
((1S,2R)-2-(aminomethyl)-N,N-diethyl-1-phenylcyclop...)Show InChI InChI=1S/C15H22N2O/c1-3-17(4-2)14(18)15(10-13(15)11-16)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11,16H2,1-2H3/t13-,15+/m0/s1 | Reactome pathway
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| n/a | n/a | 77 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Bioscience, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human NET |
Bioorg Med Chem Lett 18: 3328-32 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.025
BindingDB Entry DOI: 10.7270/Q21V5FTK |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50373254
(CHEMBL411033)Show SMILES NC[C@@H]1C[C@@]1(C(=O)C1NCc2ccccc12)c1ccc2OCOc2c1 |w:7.7| Show InChI InChI=1S/C20H20N2O3/c21-9-14-8-20(14,13-5-6-16-17(7-13)25-11-24-16)19(23)18-15-4-2-1-3-12(15)10-22-18/h1-7,14,18,22H,8-11,21H2/t14-,18?,20+/m0/s1 | PDB
KEGG
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| n/a | n/a | 77 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Bioscience, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human SERT |
Bioorg Med Chem Lett 18: 3328-32 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.025
BindingDB Entry DOI: 10.7270/Q21V5FTK |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50373261
(CHEMBL410055)Show SMILES CCCN(CC#CC)C(=O)[C@]1(C[C@H]1CN)c1ccc2OCCc2c1 Show InChI InChI=1S/C20H26N2O2/c1-3-5-10-22(9-4-2)19(23)20(13-17(20)14-21)16-6-7-18-15(12-16)8-11-24-18/h6-7,12,17H,4,8-11,13-14,21H2,1-2H3/t17-,20+/m0/s1 | Reactome pathway
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| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurocrine Bioscience, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human NET |
Bioorg Med Chem Lett 18: 3328-32 (2008)
Article DOI: 10.1016/j.bmcl.2008.04.025
BindingDB Entry DOI: 10.7270/Q21V5FTK |
More data for this
Ligand-Target Pair | |
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