Found 56 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)) | BDBM50209802
(CHEMBL438490 | N,N-dimethyl-3-phenoxy-3-(4-(3-(pip...)Show SMILES CN(C)CCC(Oc1ccccc1)c1ccc(OCCCN2CCCCC2)cc1 |w:5.5| Show InChI InChI=1S/C25H36N2O2/c1-26(2)20-16-25(29-24-10-5-3-6-11-24)22-12-14-23(15-13-22)28-21-9-19-27-17-7-4-8-18-27/h3,5-6,10-15,25H,4,7-9,16-21H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.720 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity at human histamine H3 |
Bioorg Med Chem Lett 17: 5325-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.017
BindingDB Entry DOI: 10.7270/Q24749K4 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50198590
(4-(4-methoxyphenyl)-2-methyl-7-(3-(piperidin-1-yl)...)Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCCCC3)ccc12 |w:8.8| Show InChI InChI=1S/C25H34N2O2/c1-26-18-21-17-23(29-16-6-15-27-13-4-3-5-14-27)11-12-24(21)25(19-26)20-7-9-22(28-2)10-8-20/h7-12,17,25H,3-6,13-16,18-19H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity at human histamine H3 |
Bioorg Med Chem Lett 17: 5325-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.017
BindingDB Entry DOI: 10.7270/Q24749K4 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50220524
(2-methyl-4-(4-(methylthio)phenyl)-7-(5-(piperidin-...)Show SMILES CSc1ccc(cc1)C1CN(C)Cc2cc(Oc3ccc(CN4CCCCC4)cn3)ccc12 |w:8.8| Show InChI InChI=1S/C28H33N3OS/c1-30-19-23-16-24(9-12-26(23)27(20-30)22-7-10-25(33-2)11-8-22)32-28-13-6-21(17-29-28)18-31-14-4-3-5-15-31/h6-13,16-17,27H,3-5,14-15,18-20H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity at human SERT |
Bioorg Med Chem Lett 17: 5325-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.017
BindingDB Entry DOI: 10.7270/Q24749K4 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50220528
(2-methyl-4-(4-(methylthio)phenyl)-7-(4-(piperidin-...)Show SMILES CSc1ccc(cc1)C1CN(C)Cc2cc(Oc3cc(CN4CCCCC4)ccn3)ccc12 |w:8.8| Show InChI InChI=1S/C28H33N3OS/c1-30-19-23-17-24(8-11-26(23)27(20-30)22-6-9-25(33-2)10-7-22)32-28-16-21(12-13-29-28)18-31-14-4-3-5-15-31/h6-13,16-17,27H,3-5,14-15,18-20H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity at human SERT |
Bioorg Med Chem Lett 17: 5325-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.017
BindingDB Entry DOI: 10.7270/Q24749K4 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50220537
((6S,10bR)-6-(4-(methylthio)phenyl)-9-(3-(piperidin...)Show SMILES CSc1ccc(cc1)[C@@H]1CN2CCC[C@@H]2c2cc(OCCCN3CCCCC3)ccc12 Show InChI InChI=1S/C27H36N2OS/c1-31-23-11-8-21(9-12-23)26-20-29-17-5-7-27(29)25-19-22(10-13-24(25)26)30-18-6-16-28-14-3-2-4-15-28/h8-13,19,26-27H,2-7,14-18,20H2,1H3/t26-,27+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity at human histamine H3 |
Bioorg Med Chem Lett 17: 5325-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.017
BindingDB Entry DOI: 10.7270/Q24749K4 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50220525
(2-methyl-4-(4-(methylthio)phenyl)-7-(5-(piperidin-...)Show SMILES CSc1ccc(cc1)C1CN(C)Cc2cc(Oc3ncc(CN4CCCCC4)s3)ccc12 |w:8.8| Show InChI InChI=1S/C26H31N3OS2/c1-28-16-20-14-21(30-26-27-15-23(32-26)17-29-12-4-3-5-13-29)8-11-24(20)25(18-28)19-6-9-22(31-2)10-7-19/h6-11,14-15,25H,3-5,12-13,16-18H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 3.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity at human SERT |
Bioorg Med Chem Lett 17: 5325-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.017
BindingDB Entry DOI: 10.7270/Q24749K4 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50220527
(2-methyl-4-(4-(methylthio)phenyl)-7-(4-(piperidin-...)Show SMILES CSc1ccc(cc1)C1CN(C)Cc2cc(Oc3ccc(CN4CCCCC4)cc3)ccc12 |w:8.8| Show InChI InChI=1S/C29H34N2OS/c1-30-20-24-18-26(12-15-28(24)29(21-30)23-8-13-27(33-2)14-9-23)32-25-10-6-22(7-11-25)19-31-16-4-3-5-17-31/h6-15,18,29H,3-5,16-17,19-21H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 3.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity at human SERT |
Bioorg Med Chem Lett 17: 5325-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.017
BindingDB Entry DOI: 10.7270/Q24749K4 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50220525
(2-methyl-4-(4-(methylthio)phenyl)-7-(5-(piperidin-...)Show SMILES CSc1ccc(cc1)C1CN(C)Cc2cc(Oc3ncc(CN4CCCCC4)s3)ccc12 |w:8.8| Show InChI InChI=1S/C26H31N3OS2/c1-28-16-20-14-21(30-26-27-15-23(32-26)17-29-12-4-3-5-13-29)8-11-24(20)25(18-28)19-6-9-22(31-2)10-7-19/h6-11,14-15,25H,3-5,12-13,16-18H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity at rat SERT |
Bioorg Med Chem Lett 17: 5325-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.017
BindingDB Entry DOI: 10.7270/Q24749K4 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50220539
(2-methyl-4-(4-(methylthio)phenyl)-7-(4-(piperidin-...)Show SMILES CSc1ccc(cc1)C1CN(C)Cc2cc(Oc3nc(CN4CCCCC4)cs3)ccc12 |w:8.8| Show InChI InChI=1S/C26H31N3OS2/c1-28-15-20-14-22(30-26-27-21(18-32-26)16-29-12-4-3-5-13-29)8-11-24(20)25(17-28)19-6-9-23(31-2)10-7-19/h6-11,14,18,25H,3-5,12-13,15-17H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 4.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity at human SERT |
Bioorg Med Chem Lett 17: 5325-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.017
BindingDB Entry DOI: 10.7270/Q24749K4 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50220527
(2-methyl-4-(4-(methylthio)phenyl)-7-(4-(piperidin-...)Show SMILES CSc1ccc(cc1)C1CN(C)Cc2cc(Oc3ccc(CN4CCCCC4)cc3)ccc12 |w:8.8| Show InChI InChI=1S/C29H34N2OS/c1-30-20-24-18-26(12-15-28(24)29(21-30)23-8-13-27(33-2)14-9-23)32-25-10-6-22(7-11-25)19-31-16-4-3-5-17-31/h6-15,18,29H,3-5,16-17,19-21H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 4.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity at rat SERT |
Bioorg Med Chem Lett 17: 5325-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.017
BindingDB Entry DOI: 10.7270/Q24749K4 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50220524
(2-methyl-4-(4-(methylthio)phenyl)-7-(5-(piperidin-...)Show SMILES CSc1ccc(cc1)C1CN(C)Cc2cc(Oc3ccc(CN4CCCCC4)cn3)ccc12 |w:8.8| Show InChI InChI=1S/C28H33N3OS/c1-30-19-23-16-24(9-12-26(23)27(20-30)22-7-10-25(33-2)11-8-22)32-28-13-6-21(17-29-28)18-31-14-4-3-5-15-31/h6-13,16-17,27H,3-5,14-15,18-20H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 4.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity at rat SERT |
Bioorg Med Chem Lett 17: 5325-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.017
BindingDB Entry DOI: 10.7270/Q24749K4 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50198590
(4-(4-methoxyphenyl)-2-methyl-7-(3-(piperidin-1-yl)...)Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCCCC3)ccc12 |w:8.8| Show InChI InChI=1S/C25H34N2O2/c1-26-18-21-17-23(29-16-6-15-27-13-4-3-5-14-27)11-12-24(21)25(19-26)20-7-9-22(28-2)10-8-20/h7-12,17,25H,3-6,13-16,18-19H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 5.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity at human SERT |
Bioorg Med Chem Lett 17: 5325-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.017
BindingDB Entry DOI: 10.7270/Q24749K4 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50220537
((6S,10bR)-6-(4-(methylthio)phenyl)-9-(3-(piperidin...)Show SMILES CSc1ccc(cc1)[C@@H]1CN2CCC[C@@H]2c2cc(OCCCN3CCCCC3)ccc12 Show InChI InChI=1S/C27H36N2OS/c1-31-23-11-8-21(9-12-23)26-20-29-17-5-7-27(29)25-19-22(10-13-24(25)26)30-18-6-16-28-14-3-2-4-15-28/h8-13,19,26-27H,2-7,14-18,20H2,1H3/t26-,27+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity at human SERT |
Bioorg Med Chem Lett 17: 5325-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.017
BindingDB Entry DOI: 10.7270/Q24749K4 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50220539
(2-methyl-4-(4-(methylthio)phenyl)-7-(4-(piperidin-...)Show SMILES CSc1ccc(cc1)C1CN(C)Cc2cc(Oc3nc(CN4CCCCC4)cs3)ccc12 |w:8.8| Show InChI InChI=1S/C26H31N3OS2/c1-28-15-20-14-22(30-26-27-21(18-32-26)16-29-12-4-3-5-13-29)8-11-24(20)25(17-28)19-6-9-23(31-2)10-7-19/h6-11,14,18,25H,3-5,12-13,15-17H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 5.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity at rat SERT |
Bioorg Med Chem Lett 17: 5325-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.017
BindingDB Entry DOI: 10.7270/Q24749K4 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50220538
(7-(5-((4-fluoropiperidin-1-yl)methyl)pyridin-2-ylo...)Show SMILES CSc1ccc(cc1)C1CN(C)Cc2cc(Oc3ccc(CN4CCC(F)CC4)cn3)ccc12 |w:8.8| Show InChI InChI=1S/C28H32FN3OS/c1-31-18-22-15-24(6-9-26(22)27(19-31)21-4-7-25(34-2)8-5-21)33-28-10-3-20(16-30-28)17-32-13-11-23(29)12-14-32/h3-10,15-16,23,27H,11-14,17-19H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 6.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity at human SERT |
Bioorg Med Chem Lett 17: 5325-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.017
BindingDB Entry DOI: 10.7270/Q24749K4 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50220534
(2-methyl-4-(4-(methylthio)phenyl)-7-(6-(piperidin-...)Show SMILES CSc1ccc(cc1)C1CN(C)Cc2cc(Oc3ccc(CN4CCCCC4)nc3)ccc12 |w:8.8| Show InChI InChI=1S/C28H33N3OS/c1-30-18-22-16-24(10-13-27(22)28(20-30)21-6-11-26(33-2)12-7-21)32-25-9-8-23(29-17-25)19-31-14-4-3-5-15-31/h6-13,16-17,28H,3-5,14-15,18-20H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 7.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity at rat SERT |
Bioorg Med Chem Lett 17: 5325-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.017
BindingDB Entry DOI: 10.7270/Q24749K4 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50220529
(2-methyl-4-(4-(methylthio)phenyl)-7-(5-(morpholino...)Show SMILES CSc1ccc(cc1)C1CN(C)Cc2cc(Oc3ccc(CN4CCOCC4)cn3)ccc12 |w:8.8| Show InChI InChI=1S/C27H31N3O2S/c1-29-18-22-15-23(6-9-25(22)26(19-29)21-4-7-24(33-2)8-5-21)32-27-10-3-20(16-28-27)17-30-11-13-31-14-12-30/h3-10,15-16,26H,11-14,17-19H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 7.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity at human SERT |
Bioorg Med Chem Lett 17: 5325-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.017
BindingDB Entry DOI: 10.7270/Q24749K4 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50220534
(2-methyl-4-(4-(methylthio)phenyl)-7-(6-(piperidin-...)Show SMILES CSc1ccc(cc1)C1CN(C)Cc2cc(Oc3ccc(CN4CCCCC4)nc3)ccc12 |w:8.8| Show InChI InChI=1S/C28H33N3OS/c1-30-18-22-16-24(10-13-27(22)28(20-30)21-6-11-26(33-2)12-7-21)32-25-9-8-23(29-17-25)19-31-14-4-3-5-15-31/h6-13,16-17,28H,3-5,14-15,18-20H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity at human SERT |
Bioorg Med Chem Lett 17: 5325-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.017
BindingDB Entry DOI: 10.7270/Q24749K4 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50220524
(2-methyl-4-(4-(methylthio)phenyl)-7-(5-(piperidin-...)Show SMILES CSc1ccc(cc1)C1CN(C)Cc2cc(Oc3ccc(CN4CCCCC4)cn3)ccc12 |w:8.8| Show InChI InChI=1S/C28H33N3OS/c1-30-19-23-16-24(9-12-26(23)27(20-30)22-7-10-25(33-2)11-8-22)32-28-13-6-21(17-29-28)18-31-14-4-3-5-15-31/h6-13,16-17,27H,3-5,14-15,18-20H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 8.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity at human histamine H3 |
Bioorg Med Chem Lett 17: 5325-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.017
BindingDB Entry DOI: 10.7270/Q24749K4 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50220531
(2-methyl-4-(4-(methylthio)phenyl)-7-(5-(piperidin-...)Show SMILES CSc1ccc(cc1)C1CN(C)Cc2cc(Oc3cncc(CN4CCCCC4)c3)ccc12 |w:8.8| Show InChI InChI=1S/C28H33N3OS/c1-30-19-23-15-24(8-11-27(23)28(20-30)22-6-9-26(33-2)10-7-22)32-25-14-21(16-29-17-25)18-31-12-4-3-5-13-31/h6-11,14-17,28H,3-5,12-13,18-20H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity at human SERT |
Bioorg Med Chem Lett 17: 5325-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.017
BindingDB Entry DOI: 10.7270/Q24749K4 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50220528
(2-methyl-4-(4-(methylthio)phenyl)-7-(4-(piperidin-...)Show SMILES CSc1ccc(cc1)C1CN(C)Cc2cc(Oc3cc(CN4CCCCC4)ccn3)ccc12 |w:8.8| Show InChI InChI=1S/C28H33N3OS/c1-30-19-23-17-24(8-11-26(23)27(20-30)22-6-9-25(33-2)10-7-22)32-28-16-21(12-13-29-28)18-31-14-4-3-5-15-31/h6-13,16-17,27H,3-5,14-15,18-20H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 8.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity at rat SERT |
Bioorg Med Chem Lett 17: 5325-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.017
BindingDB Entry DOI: 10.7270/Q24749K4 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50220531
(2-methyl-4-(4-(methylthio)phenyl)-7-(5-(piperidin-...)Show SMILES CSc1ccc(cc1)C1CN(C)Cc2cc(Oc3cncc(CN4CCCCC4)c3)ccc12 |w:8.8| Show InChI InChI=1S/C28H33N3OS/c1-30-19-23-15-24(8-11-27(23)28(20-30)22-6-9-26(33-2)10-7-22)32-25-14-21(16-29-17-25)18-31-12-4-3-5-13-31/h6-11,14-17,28H,3-5,12-13,18-20H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 9.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity at rat SERT |
Bioorg Med Chem Lett 17: 5325-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.017
BindingDB Entry DOI: 10.7270/Q24749K4 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50220535
(2-methyl-4-(4-(methylthio)phenyl)-7-(2-(piperidin-...)Show SMILES CSc1ccc(cc1)C1CN(C)Cc2cc(Oc3ccnc(CN4CCCCC4)c3)ccc12 |w:8.8| Show InChI InChI=1S/C28H33N3OS/c1-30-18-22-16-24(8-11-27(22)28(20-30)21-6-9-26(33-2)10-7-21)32-25-12-13-29-23(17-25)19-31-14-4-3-5-15-31/h6-13,16-17,28H,3-5,14-15,18-20H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 10.4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity at human SERT |
Bioorg Med Chem Lett 17: 5325-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.017
BindingDB Entry DOI: 10.7270/Q24749K4 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50220529
(2-methyl-4-(4-(methylthio)phenyl)-7-(5-(morpholino...)Show SMILES CSc1ccc(cc1)C1CN(C)Cc2cc(Oc3ccc(CN4CCOCC4)cn3)ccc12 |w:8.8| Show InChI InChI=1S/C27H31N3O2S/c1-29-18-22-15-23(6-9-25(22)26(19-29)21-4-7-24(33-2)8-5-21)32-27-10-3-20(16-28-27)17-30-11-13-31-14-12-30/h3-10,15-16,26H,11-14,17-19H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity at rat SERT |
Bioorg Med Chem Lett 17: 5325-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.017
BindingDB Entry DOI: 10.7270/Q24749K4 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50220526
(2-methyl-4-(4-(methylthio)phenyl)-7-(3-(piperidin-...)Show SMILES CSc1ccc(cc1)C1CN(C)Cc2cc(Oc3cccc(CN4CCCCC4)c3)ccc12 |w:8.8| Show InChI InChI=1S/C29H34N2OS/c1-30-20-24-18-26(11-14-28(24)29(21-30)23-9-12-27(33-2)13-10-23)32-25-8-6-7-22(17-25)19-31-15-4-3-5-16-31/h6-14,17-18,29H,3-5,15-16,19-21H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 11.7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity at rat SERT |
Bioorg Med Chem Lett 17: 5325-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.017
BindingDB Entry DOI: 10.7270/Q24749K4 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50220532
(2-methyl-4-(4-(methylthio)phenyl)-7-(6-(piperidin-...)Show SMILES CSc1ccc(cc1)C1CN(C)Cc2cc(Oc3cccc(CN4CCCCC4)n3)ccc12 |w:8.8| Show InChI InChI=1S/C28H33N3OS/c1-30-18-22-17-24(11-14-26(22)27(20-30)21-9-12-25(33-2)13-10-21)32-28-8-6-7-23(29-28)19-31-15-4-3-5-16-31/h6-14,17,27H,3-5,15-16,18-20H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 11.7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity at rat SERT |
Bioorg Med Chem Lett 17: 5325-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.017
BindingDB Entry DOI: 10.7270/Q24749K4 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50205668
(4-(4-methoxyphenyl)-2-methyl-7-(3-(piperidin-1-yl)...)Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCCCC3)ncc12 |w:8.8| Show InChI InChI=1S/C24H33N3O2/c1-26-17-20-15-24(29-14-6-13-27-11-4-3-5-12-27)25-16-22(20)23(18-26)19-7-9-21(28-2)10-8-19/h7-10,15-16,23H,3-6,11-14,17-18H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity at human histamine H3 |
Bioorg Med Chem Lett 17: 5325-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.017
BindingDB Entry DOI: 10.7270/Q24749K4 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50220536
(2-methyl-4-(4-(methylthio)phenyl)-7-(4-(morpholino...)Show SMILES CSc1ccc(cc1)C1CN(C)Cc2cc(Oc3nc(CN4CCOCC4)cs3)ccc12 |w:8.8| Show InChI InChI=1S/C25H29N3O2S2/c1-27-14-19-13-21(30-25-26-20(17-32-25)15-28-9-11-29-12-10-28)5-8-23(19)24(16-27)18-3-6-22(31-2)7-4-18/h3-8,13,17,24H,9-12,14-16H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity at rat SERT |
Bioorg Med Chem Lett 17: 5325-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.017
BindingDB Entry DOI: 10.7270/Q24749K4 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50220538
(7-(5-((4-fluoropiperidin-1-yl)methyl)pyridin-2-ylo...)Show SMILES CSc1ccc(cc1)C1CN(C)Cc2cc(Oc3ccc(CN4CCC(F)CC4)cn3)ccc12 |w:8.8| Show InChI InChI=1S/C28H32FN3OS/c1-31-18-22-15-24(6-9-26(22)27(19-31)21-4-7-25(34-2)8-5-21)33-28-10-3-20(16-30-28)17-32-13-11-23(29)12-14-32/h3-10,15-16,23,27H,11-14,17-19H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 14.3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity at rat SERT |
Bioorg Med Chem Lett 17: 5325-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.017
BindingDB Entry DOI: 10.7270/Q24749K4 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50220536
(2-methyl-4-(4-(methylthio)phenyl)-7-(4-(morpholino...)Show SMILES CSc1ccc(cc1)C1CN(C)Cc2cc(Oc3nc(CN4CCOCC4)cs3)ccc12 |w:8.8| Show InChI InChI=1S/C25H29N3O2S2/c1-27-14-19-13-21(30-25-26-20(17-32-25)15-28-9-11-29-12-10-28)5-8-23(19)24(16-27)18-3-6-22(31-2)7-4-18/h3-8,13,17,24H,9-12,14-16H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 15.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity at human SERT |
Bioorg Med Chem Lett 17: 5325-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.017
BindingDB Entry DOI: 10.7270/Q24749K4 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50220526
(2-methyl-4-(4-(methylthio)phenyl)-7-(3-(piperidin-...)Show SMILES CSc1ccc(cc1)C1CN(C)Cc2cc(Oc3cccc(CN4CCCCC4)c3)ccc12 |w:8.8| Show InChI InChI=1S/C29H34N2OS/c1-30-20-24-18-26(11-14-28(24)29(21-30)23-9-12-27(33-2)13-10-23)32-25-8-6-7-22(17-25)19-31-15-4-3-5-16-31/h6-14,17-18,29H,3-5,15-16,19-21H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 17.7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity at human SERT |
Bioorg Med Chem Lett 17: 5325-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.017
BindingDB Entry DOI: 10.7270/Q24749K4 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50220526
(2-methyl-4-(4-(methylthio)phenyl)-7-(3-(piperidin-...)Show SMILES CSc1ccc(cc1)C1CN(C)Cc2cc(Oc3cccc(CN4CCCCC4)c3)ccc12 |w:8.8| Show InChI InChI=1S/C29H34N2OS/c1-30-20-24-18-26(11-14-28(24)29(21-30)23-9-12-27(33-2)13-10-23)32-25-8-6-7-22(17-25)19-31-15-4-3-5-16-31/h6-14,17-18,29H,3-5,15-16,19-21H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity at human histamine H3 |
Bioorg Med Chem Lett 17: 5325-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.017
BindingDB Entry DOI: 10.7270/Q24749K4 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50220539
(2-methyl-4-(4-(methylthio)phenyl)-7-(4-(piperidin-...)Show SMILES CSc1ccc(cc1)C1CN(C)Cc2cc(Oc3nc(CN4CCCCC4)cs3)ccc12 |w:8.8| Show InChI InChI=1S/C26H31N3OS2/c1-28-15-20-14-22(30-26-27-21(18-32-26)16-29-12-4-3-5-13-29)8-11-24(20)25(17-28)19-6-9-23(31-2)10-7-19/h6-11,14,18,25H,3-5,12-13,15-17H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 20.7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity at human histamine H3 |
Bioorg Med Chem Lett 17: 5325-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.017
BindingDB Entry DOI: 10.7270/Q24749K4 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50220525
(2-methyl-4-(4-(methylthio)phenyl)-7-(5-(piperidin-...)Show SMILES CSc1ccc(cc1)C1CN(C)Cc2cc(Oc3ncc(CN4CCCCC4)s3)ccc12 |w:8.8| Show InChI InChI=1S/C26H31N3OS2/c1-28-16-20-14-21(30-26-27-15-23(32-26)17-29-12-4-3-5-13-29)8-11-24(20)25(18-28)19-6-9-22(31-2)10-7-19/h6-11,14-15,25H,3-5,12-13,16-18H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 20.7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity at human histamine H3 |
Bioorg Med Chem Lett 17: 5325-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.017
BindingDB Entry DOI: 10.7270/Q24749K4 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50220532
(2-methyl-4-(4-(methylthio)phenyl)-7-(6-(piperidin-...)Show SMILES CSc1ccc(cc1)C1CN(C)Cc2cc(Oc3cccc(CN4CCCCC4)n3)ccc12 |w:8.8| Show InChI InChI=1S/C28H33N3OS/c1-30-18-22-17-24(11-14-26(22)27(20-30)21-9-12-25(33-2)13-10-21)32-28-8-6-7-23(29-28)19-31-15-4-3-5-16-31/h6-14,17,27H,3-5,15-16,18-20H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 22 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity at human SERT |
Bioorg Med Chem Lett 17: 5325-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.017
BindingDB Entry DOI: 10.7270/Q24749K4 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50220527
(2-methyl-4-(4-(methylthio)phenyl)-7-(4-(piperidin-...)Show SMILES CSc1ccc(cc1)C1CN(C)Cc2cc(Oc3ccc(CN4CCCCC4)cc3)ccc12 |w:8.8| Show InChI InChI=1S/C29H34N2OS/c1-30-20-24-18-26(12-15-28(24)29(21-30)23-8-13-27(33-2)14-9-23)32-25-10-6-22(7-11-25)19-31-16-4-3-5-17-31/h6-15,18,29H,3-5,16-17,19-21H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 22.7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity at human histamine H3 |
Bioorg Med Chem Lett 17: 5325-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.017
BindingDB Entry DOI: 10.7270/Q24749K4 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50220534
(2-methyl-4-(4-(methylthio)phenyl)-7-(6-(piperidin-...)Show SMILES CSc1ccc(cc1)C1CN(C)Cc2cc(Oc3ccc(CN4CCCCC4)nc3)ccc12 |w:8.8| Show InChI InChI=1S/C28H33N3OS/c1-30-18-22-16-24(10-13-27(22)28(20-30)21-6-11-26(33-2)12-7-21)32-25-9-8-23(29-17-25)19-31-14-4-3-5-15-31/h6-13,16-17,28H,3-5,14-15,18-20H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 24.3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity at human histamine H3 |
Bioorg Med Chem Lett 17: 5325-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.017
BindingDB Entry DOI: 10.7270/Q24749K4 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50220535
(2-methyl-4-(4-(methylthio)phenyl)-7-(2-(piperidin-...)Show SMILES CSc1ccc(cc1)C1CN(C)Cc2cc(Oc3ccnc(CN4CCCCC4)c3)ccc12 |w:8.8| Show InChI InChI=1S/C28H33N3OS/c1-30-18-22-16-24(8-11-27(22)28(20-30)21-6-9-26(33-2)10-7-21)32-25-12-13-29-23(17-25)19-31-14-4-3-5-15-31/h6-13,16-17,28H,3-5,14-15,18-20H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 25.7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity at rat SERT |
Bioorg Med Chem Lett 17: 5325-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.017
BindingDB Entry DOI: 10.7270/Q24749K4 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50209802
(CHEMBL438490 | N,N-dimethyl-3-phenoxy-3-(4-(3-(pip...)Show SMILES CN(C)CCC(Oc1ccccc1)c1ccc(OCCCN2CCCCC2)cc1 |w:5.5| Show InChI InChI=1S/C25H36N2O2/c1-26(2)20-16-25(29-24-10-5-3-6-11-24)22-12-14-23(15-13-22)28-21-9-19-27-17-7-4-8-18-27/h3,5-6,10-15,25H,4,7-9,16-21H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 25.7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity at human SERT |
Bioorg Med Chem Lett 17: 5325-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.017
BindingDB Entry DOI: 10.7270/Q24749K4 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50220528
(2-methyl-4-(4-(methylthio)phenyl)-7-(4-(piperidin-...)Show SMILES CSc1ccc(cc1)C1CN(C)Cc2cc(Oc3cc(CN4CCCCC4)ccn3)ccc12 |w:8.8| Show InChI InChI=1S/C28H33N3OS/c1-30-19-23-17-24(8-11-26(23)27(20-30)22-6-9-25(33-2)10-7-22)32-28-16-21(12-13-29-28)18-31-14-4-3-5-15-31/h6-13,16-17,27H,3-5,14-15,18-20H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 34.3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity at human histamine H3 |
Bioorg Med Chem Lett 17: 5325-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.017
BindingDB Entry DOI: 10.7270/Q24749K4 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50220532
(2-methyl-4-(4-(methylthio)phenyl)-7-(6-(piperidin-...)Show SMILES CSc1ccc(cc1)C1CN(C)Cc2cc(Oc3cccc(CN4CCCCC4)n3)ccc12 |w:8.8| Show InChI InChI=1S/C28H33N3OS/c1-30-18-22-17-24(11-14-26(22)27(20-30)21-9-12-25(33-2)13-10-21)32-28-8-6-7-23(29-28)19-31-15-4-3-5-16-31/h6-14,17,27H,3-5,15-16,18-20H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 51 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity at human histamine H3 |
Bioorg Med Chem Lett 17: 5325-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.017
BindingDB Entry DOI: 10.7270/Q24749K4 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50205668
(4-(4-methoxyphenyl)-2-methyl-7-(3-(piperidin-1-yl)...)Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCCCC3)ncc12 |w:8.8| Show InChI InChI=1S/C24H33N3O2/c1-26-17-20-15-24(29-14-6-13-27-11-4-3-5-12-27)25-16-22(20)23(18-26)19-7-9-21(28-2)10-8-19/h7-10,15-16,23H,3-6,11-14,17-18H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 107 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity at human SERT |
Bioorg Med Chem Lett 17: 5325-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.017
BindingDB Entry DOI: 10.7270/Q24749K4 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50220531
(2-methyl-4-(4-(methylthio)phenyl)-7-(5-(piperidin-...)Show SMILES CSc1ccc(cc1)C1CN(C)Cc2cc(Oc3cncc(CN4CCCCC4)c3)ccc12 |w:8.8| Show InChI InChI=1S/C28H33N3OS/c1-30-19-23-15-24(8-11-27(23)28(20-30)22-6-9-26(33-2)10-7-22)32-25-14-21(16-29-17-25)18-31-12-4-3-5-13-31/h6-11,14-17,28H,3-5,12-13,18-20H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 109 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity at human histamine H3 |
Bioorg Med Chem Lett 17: 5325-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.017
BindingDB Entry DOI: 10.7270/Q24749K4 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50220538
(7-(5-((4-fluoropiperidin-1-yl)methyl)pyridin-2-ylo...)Show SMILES CSc1ccc(cc1)C1CN(C)Cc2cc(Oc3ccc(CN4CCC(F)CC4)cn3)ccc12 |w:8.8| Show InChI InChI=1S/C28H32FN3OS/c1-31-18-22-15-24(6-9-26(22)27(19-31)21-4-7-25(34-2)8-5-21)33-28-10-3-20(16-30-28)17-32-13-11-23(29)12-14-32/h3-10,15-16,23,27H,11-14,17-19H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity at human histamine H3 |
Bioorg Med Chem Lett 17: 5325-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.017
BindingDB Entry DOI: 10.7270/Q24749K4 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50220530
(2-methyl-4-(4-(methylthio)phenyl)-5-(2-(piperidin-...)Show SMILES CSc1ccc(cc1)C1CN(C)Cc2cccc(Oc3ccnc(CN4CCCCC4)c3)c12 |w:8.8| Show InChI InChI=1S/C28H33N3OS/c1-30-18-22-7-6-8-27(28(22)26(20-30)21-9-11-25(33-2)12-10-21)32-24-13-14-29-23(17-24)19-31-15-4-3-5-16-31/h6-14,17,26H,3-5,15-16,18-20H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 157 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity at human SERT |
Bioorg Med Chem Lett 17: 5325-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.017
BindingDB Entry DOI: 10.7270/Q24749K4 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50220540
(2-methyl-4-(4-(methylthio)phenyl)-5-(5-(piperidin-...)Show SMILES CSc1ccc(cc1)C1CN(C)Cc2cccc(Oc3cncc(CN4CCCCC4)c3)c12 |w:8.8| Show InChI InChI=1S/C28H33N3OS/c1-30-19-23-7-6-8-27(28(23)26(20-30)22-9-11-25(33-2)12-10-22)32-24-15-21(16-29-17-24)18-31-13-4-3-5-14-31/h6-12,15-17,26H,3-5,13-14,18-20H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 174 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity at rat SERT |
Bioorg Med Chem Lett 17: 5325-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.017
BindingDB Entry DOI: 10.7270/Q24749K4 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50220530
(2-methyl-4-(4-(methylthio)phenyl)-5-(2-(piperidin-...)Show SMILES CSc1ccc(cc1)C1CN(C)Cc2cccc(Oc3ccnc(CN4CCCCC4)c3)c12 |w:8.8| Show InChI InChI=1S/C28H33N3OS/c1-30-18-22-7-6-8-27(28(22)26(20-30)21-9-11-25(33-2)12-10-21)32-24-13-14-29-23(17-24)19-31-15-4-3-5-16-31/h6-14,17,26H,3-5,15-16,18-20H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 182 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity at rat SERT |
Bioorg Med Chem Lett 17: 5325-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.017
BindingDB Entry DOI: 10.7270/Q24749K4 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50220536
(2-methyl-4-(4-(methylthio)phenyl)-7-(4-(morpholino...)Show SMILES CSc1ccc(cc1)C1CN(C)Cc2cc(Oc3nc(CN4CCOCC4)cs3)ccc12 |w:8.8| Show InChI InChI=1S/C25H29N3O2S2/c1-27-14-19-13-21(30-25-26-20(17-32-25)15-28-9-11-29-12-10-28)5-8-23(19)24(16-27)18-3-6-22(31-2)7-4-18/h3-8,13,17,24H,9-12,14-16H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 201 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity at human histamine H3 |
Bioorg Med Chem Lett 17: 5325-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.017
BindingDB Entry DOI: 10.7270/Q24749K4 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50220533
(2-methyl-4-(4-(methylthio)phenyl)-5-(3-(piperidin-...)Show SMILES CSc1ccc(cc1)C1CN(C)Cc2cccc(Oc3cccc(CN4CCCCC4)c3)c12 |w:8.8| Show InChI InChI=1S/C29H34N2OS/c1-30-20-24-9-7-11-28(29(24)27(21-30)23-12-14-26(33-2)15-13-23)32-25-10-6-8-22(18-25)19-31-16-4-3-5-17-31/h6-15,18,27H,3-5,16-17,19-21H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 253 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity at human histamine H3 |
Bioorg Med Chem Lett 17: 5325-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.017
BindingDB Entry DOI: 10.7270/Q24749K4 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50220529
(2-methyl-4-(4-(methylthio)phenyl)-7-(5-(morpholino...)Show SMILES CSc1ccc(cc1)C1CN(C)Cc2cc(Oc3ccc(CN4CCOCC4)cn3)ccc12 |w:8.8| Show InChI InChI=1S/C27H31N3O2S/c1-29-18-22-15-23(6-9-25(22)26(19-29)21-4-7-24(33-2)8-5-21)32-27-10-3-20(16-28-27)17-30-11-13-31-14-12-30/h3-10,15-16,26H,11-14,17-19H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 260 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity at human histamine H3 |
Bioorg Med Chem Lett 17: 5325-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.017
BindingDB Entry DOI: 10.7270/Q24749K4 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50220540
(2-methyl-4-(4-(methylthio)phenyl)-5-(5-(piperidin-...)Show SMILES CSc1ccc(cc1)C1CN(C)Cc2cccc(Oc3cncc(CN4CCCCC4)c3)c12 |w:8.8| Show InChI InChI=1S/C28H33N3OS/c1-30-19-23-7-6-8-27(28(23)26(20-30)22-9-11-25(33-2)12-10-22)32-24-15-21(16-29-17-24)18-31-13-4-3-5-14-31/h6-12,15-17,26H,3-5,13-14,18-20H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 262 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity at human SERT |
Bioorg Med Chem Lett 17: 5325-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.017
BindingDB Entry DOI: 10.7270/Q24749K4 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50220530
(2-methyl-4-(4-(methylthio)phenyl)-5-(2-(piperidin-...)Show SMILES CSc1ccc(cc1)C1CN(C)Cc2cccc(Oc3ccnc(CN4CCCCC4)c3)c12 |w:8.8| Show InChI InChI=1S/C28H33N3OS/c1-30-18-22-7-6-8-27(28(22)26(20-30)21-9-11-25(33-2)12-10-21)32-24-13-14-29-23(17-24)19-31-15-4-3-5-16-31/h6-14,17,26H,3-5,15-16,18-20H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 265 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity at human histamine H3 |
Bioorg Med Chem Lett 17: 5325-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.017
BindingDB Entry DOI: 10.7270/Q24749K4 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50220535
(2-methyl-4-(4-(methylthio)phenyl)-7-(2-(piperidin-...)Show SMILES CSc1ccc(cc1)C1CN(C)Cc2cc(Oc3ccnc(CN4CCCCC4)c3)ccc12 |w:8.8| Show InChI InChI=1S/C28H33N3OS/c1-30-18-22-16-24(8-11-27(22)28(20-30)21-6-9-26(33-2)10-7-21)32-25-12-13-29-23(17-25)19-31-14-4-3-5-15-31/h6-13,16-17,28H,3-5,14-15,18-20H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 323 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity at human histamine H3 |
Bioorg Med Chem Lett 17: 5325-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.017
BindingDB Entry DOI: 10.7270/Q24749K4 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50220533
(2-methyl-4-(4-(methylthio)phenyl)-5-(3-(piperidin-...)Show SMILES CSc1ccc(cc1)C1CN(C)Cc2cccc(Oc3cccc(CN4CCCCC4)c3)c12 |w:8.8| Show InChI InChI=1S/C29H34N2OS/c1-30-20-24-9-7-11-28(29(24)27(21-30)23-12-14-26(33-2)15-13-23)32-25-10-6-8-22(18-25)19-31-16-4-3-5-17-31/h6-15,18,27H,3-5,16-17,19-21H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 403 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity at rat SERT |
Bioorg Med Chem Lett 17: 5325-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.017
BindingDB Entry DOI: 10.7270/Q24749K4 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50220540
(2-methyl-4-(4-(methylthio)phenyl)-5-(5-(piperidin-...)Show SMILES CSc1ccc(cc1)C1CN(C)Cc2cccc(Oc3cncc(CN4CCCCC4)c3)c12 |w:8.8| Show InChI InChI=1S/C28H33N3OS/c1-30-19-23-7-6-8-27(28(23)26(20-30)22-9-11-25(33-2)12-10-22)32-24-15-21(16-29-17-24)18-31-13-4-3-5-14-31/h6-12,15-17,26H,3-5,13-14,18-20H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 511 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity at human histamine H3 |
Bioorg Med Chem Lett 17: 5325-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.017
BindingDB Entry DOI: 10.7270/Q24749K4 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50220533
(2-methyl-4-(4-(methylthio)phenyl)-5-(3-(piperidin-...)Show SMILES CSc1ccc(cc1)C1CN(C)Cc2cccc(Oc3cccc(CN4CCCCC4)c3)c12 |w:8.8| Show InChI InChI=1S/C29H34N2OS/c1-30-20-24-9-7-11-28(29(24)27(21-30)23-12-14-26(33-2)15-13-23)32-25-10-6-8-22(18-25)19-31-16-4-3-5-17-31/h6-15,18,27H,3-5,16-17,19-21H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 616 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity at human SERT |
Bioorg Med Chem Lett 17: 5325-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.08.017
BindingDB Entry DOI: 10.7270/Q24749K4 |
More data for this
Ligand-Target Pair | |
Search and Browse
