Found 158 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 |
|---|
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50371305
(CHEMBL272077)Show SMILES CNCc1cc(ccc1Oc1ccc(Cl)cc1)C(=O)N1CCCN(CC1)C(C)C Show InChI InChI=1S/C23H30ClN3O2/c1-17(2)26-11-4-12-27(14-13-26)23(28)18-5-10-22(19(15-18)16-25-3)29-21-8-6-20(24)7-9-21/h5-10,15,17,25H,4,11-14,16H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of human histamine H3 receptor |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50371294
(CHEMBL257208)Show SMILES CNCc1cc(ccc1Oc1cccc(c1)C#N)C(=O)N1CCCN(CC1)C1CC1 Show InChI InChI=1S/C24H28N4O2/c1-26-17-20-15-19(6-9-23(20)30-22-5-2-4-18(14-22)16-25)24(29)28-11-3-10-27(12-13-28)21-7-8-21/h2,4-6,9,14-15,21,26H,3,7-8,10-13,17H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of human histamine H3 receptor |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50217589
((6S,10bR)-6-(4-methoxyphenyl)-9-(3-(piperidin-1-yl...)Show SMILES COc1ccc(cc1)[C@@H]1CN2CCC[C@@H]2c2cc(OCCCN3CCCCC3)ccc12 Show InChI InChI=1S/C27H36N2O2/c1-30-22-10-8-21(9-11-22)26-20-29-17-5-7-27(29)25-19-23(12-13-24(25)26)31-18-6-16-28-14-3-2-4-15-28/h8-13,19,26-27H,2-7,14-18,20H2,1H3/t26-,27+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of human histamine H3 receptor |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50371290
(CHEMBL401683)Show SMILES CNCc1cc(ccc1Oc1ccccc1)C(=O)N1CCCN(CC1)C1CC1 Show InChI InChI=1S/C23H29N3O2/c1-24-17-19-16-18(8-11-22(19)28-21-6-3-2-4-7-21)23(27)26-13-5-12-25(14-15-26)20-9-10-20/h2-4,6-8,11,16,20,24H,5,9-10,12-15,17H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of human histamine H3 receptor |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50217576
(CHEMBL236046 | N-methyl(2-(4-(methylthio)phenoxy)-...)Show InChI InChI=1S/C23H28N2O2S/c1-24-18-20-17-19(5-3-4-12-25-13-15-26-16-14-25)6-11-23(20)27-21-7-9-22(28-2)10-8-21/h6-11,17,24H,4,12-16,18H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of human SERT |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50371289
(CHEMBL258349)Show SMILES CNCc1cc(ccc1Oc1ccc(F)cc1)C(=O)N1CCCN(CC1)C1CC1 Show InChI InChI=1S/C23H28FN3O2/c1-25-16-18-15-17(3-10-22(18)29-21-8-4-19(24)5-9-21)23(28)27-12-2-11-26(13-14-27)20-6-7-20/h3-5,8-10,15,20,25H,2,6-7,11-14,16H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of human histamine H3 receptor |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50371287
(CHEMBL272699)Show SMILES CNCc1cc(ccc1Oc1cccc(Cl)c1)C(=O)N1CCCN(CC1)C1CC1 Show InChI InChI=1S/C23H28ClN3O2/c1-25-16-18-14-17(6-9-22(18)29-21-5-2-4-19(24)15-21)23(28)27-11-3-10-26(12-13-27)20-7-8-20/h2,4-6,9,14-15,20,25H,3,7-8,10-13,16H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of human histamine H3 receptor |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50371291
(CHEMBL257009)Show SMILES CNCc1cc(ccc1Oc1ccccc1C#N)C(=O)N1CCCN(CC1)C1CC1 Show InChI InChI=1S/C24H28N4O2/c1-26-17-20-15-18(7-10-23(20)30-22-6-3-2-5-19(22)16-25)24(29)28-12-4-11-27(13-14-28)21-8-9-21/h2-3,5-7,10,15,21,26H,4,8-9,11-14,17H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of human histamine H3 receptor |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50371280
(CHEMBL272289)Show SMILES CNCc1cc(ccc1Oc1cccc(Cl)c1)C(=O)N1CCCN(CC1)C(C)C Show InChI InChI=1S/C23H30ClN3O2/c1-17(2)26-10-5-11-27(13-12-26)23(28)18-8-9-22(19(14-18)16-25-3)29-21-7-4-6-20(24)15-21/h4,6-9,14-15,17,25H,5,10-13,16H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of human histamine H3 receptor |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50371286
(CHEMBL401867)Show SMILES CNCc1cc(ccc1Oc1cccc(F)c1)C(=O)N1CCCN(CC1)C1CC1 Show InChI InChI=1S/C23H28FN3O2/c1-25-16-18-14-17(6-9-22(18)29-21-5-2-4-19(24)15-21)23(28)27-11-3-10-26(12-13-27)20-7-8-20/h2,4-6,9,14-15,20,25H,3,7-8,10-13,16H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of human histamine H3 receptor |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50371281
(CHEMBL267267)Show SMILES CNCc1cc(ccc1Oc1ccc(SC)cc1)C(=O)N1CCCN(CC1)C(C)C Show InChI InChI=1S/C24H33N3O2S/c1-18(2)26-12-5-13-27(15-14-26)24(28)19-6-11-23(20(16-19)17-25-3)29-21-7-9-22(30-4)10-8-21/h6-11,16,18,25H,5,12-15,17H2,1-4H3 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of rat SERT |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50371315
(CHEMBL273136)Show SMILES CNCc1cc(ccc1Oc1cccc(OC)c1)C(=O)N1CCCN(CC1)C1CC1 Show InChI InChI=1S/C24H31N3O3/c1-25-17-19-15-18(7-10-23(19)30-22-6-3-5-21(16-22)29-2)24(28)27-12-4-11-26(13-14-27)20-8-9-20/h3,5-7,10,15-16,20,25H,4,8-9,11-14,17H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of human histamine H3 receptor |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50371314
(CHEMBL402949)Show SMILES CNCc1cc(ccc1Oc1ccccc1F)C(=O)N1CCCN(CC1)C1CC1 Show InChI InChI=1S/C23H28FN3O2/c1-25-16-18-15-17(7-10-21(18)29-22-6-3-2-5-20(22)24)23(28)27-12-4-11-26(13-14-27)19-8-9-19/h2-3,5-7,10,15,19,25H,4,8-9,11-14,16H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of human histamine H3 receptor |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50371300
(CHEMBL403148)Show SMILES CNCc1cc(ccc1Oc1cccc(OC)c1)C(=O)N1CCN(CC1)C(C)C Show InChI InChI=1S/C23H31N3O3/c1-17(2)25-10-12-26(13-11-25)23(27)18-8-9-22(19(14-18)16-24-3)29-21-7-5-6-20(15-21)28-4/h5-9,14-15,17,24H,10-13,16H2,1-4H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of human histamine H3 receptor |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50371281
(CHEMBL267267)Show SMILES CNCc1cc(ccc1Oc1ccc(SC)cc1)C(=O)N1CCCN(CC1)C(C)C Show InChI InChI=1S/C24H33N3O2S/c1-18(2)26-12-5-13-27(15-14-26)24(28)19-6-11-23(20(16-19)17-25-3)29-21-7-9-22(30-4)10-8-21/h6-11,16,18,25H,5,12-15,17H2,1-4H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of human histamine H3 receptor |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50371311
(CHEMBL256044)Show SMILES CNCc1cc(ccc1Oc1ccc(Cl)cc1)C(=O)N1CCN(CC1)C(C)C Show InChI InChI=1S/C22H28ClN3O2/c1-16(2)25-10-12-26(13-11-25)22(27)17-4-9-21(18(14-17)15-24-3)28-20-7-5-19(23)6-8-20/h4-9,14,16,24H,10-13,15H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of human histamine H3 receptor |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50371284
(CHEMBL257909)Show SMILES CNCc1cc(ccc1Oc1ccc(Cl)cc1)C(=O)N1CCCN(CC1)C1CC1 Show InChI InChI=1S/C23H28ClN3O2/c1-25-16-18-15-17(3-10-22(18)29-21-8-4-19(24)5-9-21)23(28)27-12-2-11-26(13-14-27)20-6-7-20/h3-5,8-10,15,20,25H,2,6-7,11-14,16H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of human histamine H3 receptor |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50371297
(CHEMBL404572)Show SMILES CNCc1cc(ccc1Oc1ccc(cc1)C#N)C(=O)N1CCCN(CC1)C1CC1 Show InChI InChI=1S/C24H28N4O2/c1-26-17-20-15-19(5-10-23(20)30-22-8-3-18(16-25)4-9-22)24(29)28-12-2-11-27(13-14-28)21-6-7-21/h3-5,8-10,15,21,26H,2,6-7,11-14,17H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of human histamine H3 receptor |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50371282
(CHEMBL272503)Show SMILES CNCc1cc(ccc1Oc1ccc(Cl)c(Cl)c1)C(=O)N1CCCN(CC1)C(C)C Show InChI InChI=1S/C23H29Cl2N3O2/c1-16(2)27-9-4-10-28(12-11-27)23(29)17-5-8-22(18(13-17)15-26-3)30-19-6-7-20(24)21(25)14-19/h5-8,13-14,16,26H,4,9-12,15H2,1-3H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of human histamine H3 receptor |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50371292
(CHEMBL257434)Show SMILES CNCc1cc(ccc1Oc1ccc(SC)cc1)C(=O)N1CCCN(CC1)C1CC1 Show InChI InChI=1S/C24H31N3O2S/c1-25-17-19-16-18(4-11-23(19)29-21-7-9-22(30-2)10-8-21)24(28)27-13-3-12-26(14-15-27)20-5-6-20/h4,7-11,16,20,25H,3,5-6,12-15,17H2,1-2H3 | PDB
Reactome pathway
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| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of human histamine H3 receptor |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50371305
(CHEMBL272077)Show SMILES CNCc1cc(ccc1Oc1ccc(Cl)cc1)C(=O)N1CCCN(CC1)C(C)C Show InChI InChI=1S/C23H30ClN3O2/c1-17(2)26-11-4-12-27(14-13-26)23(28)18-5-10-22(19(15-18)16-25-3)29-21-8-6-20(24)7-9-21/h5-10,15,17,25H,4,11-14,16H2,1-3H3 | PDB
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| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of rat SERT |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50371288
(CHEMBL272698)Show SMILES CNCc1cc(ccc1Oc1ccc(Cl)cc1F)C(=O)N1CCCN(CC1)C1CC1 Show InChI InChI=1S/C23H27ClFN3O2/c1-26-15-17-13-16(3-7-21(17)30-22-8-4-18(24)14-20(22)25)23(29)28-10-2-9-27(11-12-28)19-5-6-19/h3-4,7-8,13-14,19,26H,2,5-6,9-12,15H2,1H3 | PDB
Reactome pathway
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| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of human histamine H3 receptor |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50371285
(CHEMBL272917)Show SMILES CNCc1cc(ccc1Oc1ccc(F)c(Cl)c1)C(=O)N1CCCN(CC1)C1CC1 Show InChI InChI=1S/C23H27ClFN3O2/c1-26-15-17-13-16(3-8-22(17)30-19-6-7-21(25)20(24)14-19)23(29)28-10-2-9-27(11-12-28)18-4-5-18/h3,6-8,13-14,18,26H,2,4-5,9-12,15H2,1H3 | PDB
Reactome pathway
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| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of human histamine H3 receptor |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50371298
(CHEMBL270625)Show SMILES CNCc1cc(ccc1Oc1ccc(SC)cc1)C(=O)N1CCN(CC1)C(C)C Show InChI InChI=1S/C23H31N3O2S/c1-17(2)25-11-13-26(14-12-25)23(27)18-5-10-22(19(15-18)16-24-3)28-20-6-8-21(29-4)9-7-20/h5-10,15,17,24H,11-14,16H2,1-4H3 | PDB
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| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of rat SERT |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50371283
(CHEMBL257738)Show SMILES CNCc1cc(ccc1Oc1ccc(Cl)c(Cl)c1)C(=O)N1CCCN(CC1)C1CC1 Show InChI InChI=1S/C23H27Cl2N3O2/c1-26-15-17-13-16(3-8-22(17)30-19-6-7-20(24)21(25)14-19)23(29)28-10-2-9-27(11-12-28)18-4-5-18/h3,6-8,13-14,18,26H,2,4-5,9-12,15H2,1H3 | PDB
Reactome pathway
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| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of human histamine H3 receptor |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50371282
(CHEMBL272503)Show SMILES CNCc1cc(ccc1Oc1ccc(Cl)c(Cl)c1)C(=O)N1CCCN(CC1)C(C)C Show InChI InChI=1S/C23H29Cl2N3O2/c1-16(2)27-9-4-10-28(12-11-27)23(29)17-5-8-22(18(13-17)15-26-3)30-19-6-7-20(24)21(25)14-19/h5-8,13-14,16,26H,4,9-12,15H2,1-3H3 | PDB
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| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of rat SERT |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50371293
(CHEMBL403377)Show SMILES CNCc1cc(ccc1Oc1ccc(cc1)C(F)(F)F)C(=O)N1CCCN(CC1)C1CC1 Show InChI InChI=1S/C24H28F3N3O2/c1-28-16-18-15-17(23(31)30-12-2-11-29(13-14-30)20-6-7-20)3-10-22(18)32-21-8-4-19(5-9-21)24(25,26)27/h3-5,8-10,15,20,28H,2,6-7,11-14,16H2,1H3 | PDB
Reactome pathway
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| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of human histamine H3 receptor |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50371313
(CHEMBL439246)Show SMILES CNCc1cc(ccc1Oc1ccccc1C(F)(F)F)C(=O)N1CCCN(CC1)C1CC1 Show InChI InChI=1S/C24H28F3N3O2/c1-28-16-18-15-17(23(31)30-12-4-11-29(13-14-30)19-8-9-19)7-10-21(18)32-22-6-3-2-5-20(22)24(25,26)27/h2-3,5-7,10,15,19,28H,4,8-9,11-14,16H2,1H3 | PDB
Reactome pathway
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| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of human histamine H3 receptor |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50371296
(CHEMBL255127)Show SMILES CNCc1cc(ccc1Oc1ccccc1OC(F)(F)F)C(=O)N1CCCN(CC1)C1CC1 Show InChI InChI=1S/C24H28F3N3O3/c1-28-16-18-15-17(23(31)30-12-4-11-29(13-14-30)19-8-9-19)7-10-20(18)32-21-5-2-3-6-22(21)33-24(25,26)27/h2-3,5-7,10,15,19,28H,4,8-9,11-14,16H2,1H3 | PDB
Reactome pathway
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| 2.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of human histamine H3 receptor |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50371298
(CHEMBL270625)Show SMILES CNCc1cc(ccc1Oc1ccc(SC)cc1)C(=O)N1CCN(CC1)C(C)C Show InChI InChI=1S/C23H31N3O2S/c1-17(2)25-11-13-26(14-12-25)23(27)18-5-10-22(19(15-18)16-24-3)28-20-6-8-21(29-4)9-7-20/h5-10,15,17,24H,11-14,16H2,1-4H3 | PDB
Reactome pathway
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| 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of human histamine H3 receptor |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50371292
(CHEMBL257434)Show SMILES CNCc1cc(ccc1Oc1ccc(SC)cc1)C(=O)N1CCCN(CC1)C1CC1 Show InChI InChI=1S/C24H31N3O2S/c1-25-17-19-16-18(4-11-23(19)29-21-7-9-22(30-2)10-8-21)24(28)27-13-3-12-26(14-15-27)20-5-6-20/h4,7-11,16,20,25H,3,5-6,12-15,17H2,1-2H3 | PDB
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| 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of rat SERT |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50371277
(CHEMBL257743)Show SMILES CNCc1cc(ccc1Oc1ccc(Cl)cc1)C(=O)N1CCN(CC1)C1CCC1 Show InChI InChI=1S/C23H28ClN3O2/c1-25-16-18-15-17(5-10-22(18)29-21-8-6-19(24)7-9-21)23(28)27-13-11-26(12-14-27)20-3-2-4-20/h5-10,15,20,25H,2-4,11-14,16H2,1H3 | PDB
Reactome pathway
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| 2.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of human histamine H3 receptor |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50371302
(CHEMBL408206)Show SMILES CNCc1cc(ccc1Oc1ccc(Cl)c(Cl)c1)C(=O)N1CCN(CC1)C(C)C Show InChI InChI=1S/C22H27Cl2N3O2/c1-15(2)26-8-10-27(11-9-26)22(28)16-4-7-21(17(12-16)14-25-3)29-18-5-6-19(23)20(24)13-18/h4-7,12-13,15,25H,8-11,14H2,1-3H3 | PDB
Reactome pathway
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| 2.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of human histamine H3 receptor |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50371292
(CHEMBL257434)Show SMILES CNCc1cc(ccc1Oc1ccc(SC)cc1)C(=O)N1CCCN(CC1)C1CC1 Show InChI InChI=1S/C24H31N3O2S/c1-25-17-19-16-18(4-11-23(19)29-21-7-9-22(30-2)10-8-21)24(28)27-13-3-12-26(14-15-27)20-5-6-20/h4,7-11,16,20,25H,3,5-6,12-15,17H2,1-2H3 | PDB
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| 2.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of human SERT |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50217589
((6S,10bR)-6-(4-methoxyphenyl)-9-(3-(piperidin-1-yl...)Show SMILES COc1ccc(cc1)[C@@H]1CN2CCC[C@@H]2c2cc(OCCCN3CCCCC3)ccc12 Show InChI InChI=1S/C27H36N2O2/c1-30-22-10-8-21(9-11-22)26-20-29-17-5-7-27(29)25-19-23(12-13-24(25)26)31-18-6-16-28-14-3-2-4-15-28/h8-13,19,26-27H,2-7,14-18,20H2,1H3/t26-,27+/m0/s1 | PDB
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| 3.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of human SERT |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50371310
(CHEMBL256390)Show SMILES CNCc1cc(ccc1Oc1ccc(Cl)cc1)C(=O)N1CCN(CC1)C1CCCC1 Show InChI InChI=1S/C24H30ClN3O2/c1-26-17-19-16-18(6-11-23(19)30-22-9-7-20(25)8-10-22)24(29)28-14-12-27(13-15-28)21-4-2-3-5-21/h6-11,16,21,26H,2-5,12-15,17H2,1H3 | PDB
Reactome pathway
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| 3.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of human histamine H3 receptor |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50371306
(CHEMBL257917 | JNJ-28583867)Show SMILES CSc1ccc(cc1)[C@@H]1CN(C)Cc2cc(OCCCN3CCOCC3)ccc12 Show InChI InChI=1S/C24H32N2O2S/c1-25-17-20-16-21(28-13-3-10-26-11-14-27-15-12-26)6-9-23(20)24(18-25)19-4-7-22(29-2)8-5-19/h4-9,16,24H,3,10-15,17-18H2,1-2H3/t24-/m0/s1 | PDB
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| 3.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of human SERT |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50371284
(CHEMBL257909)Show SMILES CNCc1cc(ccc1Oc1ccc(Cl)cc1)C(=O)N1CCCN(CC1)C1CC1 Show InChI InChI=1S/C23H28ClN3O2/c1-25-16-18-15-17(3-10-22(18)29-21-8-4-19(24)5-9-21)23(28)27-12-2-11-26(13-14-27)20-6-7-20/h3-5,8-10,15,20,25H,2,6-7,11-14,16H2,1H3 | PDB
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| 3.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of rat SERT |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50371304
(CHEMBL270165)Show SMILES CNCc1cc(ccc1Oc1ccc(SC)cc1)C(=O)N1CCN(CC1)C1CC1 Show InChI InChI=1S/C23H29N3O2S/c1-24-16-18-15-17(23(27)26-13-11-25(12-14-26)19-4-5-19)3-10-22(18)28-20-6-8-21(29-2)9-7-20/h3,6-10,15,19,24H,4-5,11-14,16H2,1-2H3 | PDB
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| Article
PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of rat SERT |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50371299
(CHEMBL257221)Show SMILES CNCc1cc(ccc1Oc1ccc(SC)c(C)c1)C(=O)N1CCCN(CC1)C1CC1 Show InChI InChI=1S/C25H33N3O2S/c1-18-15-22(8-10-24(18)31-3)30-23-9-5-19(16-20(23)17-26-2)25(29)28-12-4-11-27(13-14-28)21-6-7-21/h5,8-10,15-16,21,26H,4,6-7,11-14,17H2,1-3H3 | PDB
Reactome pathway
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| 4.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of human histamine H3 receptor |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50371279
(CHEMBL409877)Show SMILES CNCc1cc(ccc1Oc1ccc(SC)c(C)c1)C(=O)N1CCN(CC1)C1CC1 Show InChI InChI=1S/C24H31N3O2S/c1-17-14-21(7-9-23(17)30-3)29-22-8-4-18(15-19(22)16-25-2)24(28)27-12-10-26(11-13-27)20-5-6-20/h4,7-9,14-15,20,25H,5-6,10-13,16H2,1-3H3 | PDB
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| 4.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of rat SERT |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50371303
(CHEMBL273157)Show SMILES CNCc1cc(ccc1Oc1ccc(SC)c(C)c1)C(=O)N1CCN(CC1)C(C)C Show InChI InChI=1S/C24H33N3O2S/c1-17(2)26-10-12-27(13-11-26)24(28)19-6-8-22(20(15-19)16-25-4)29-21-7-9-23(30-5)18(3)14-21/h6-9,14-15,17,25H,10-13,16H2,1-5H3 | PDB
Reactome pathway
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| 4.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of human histamine H3 receptor |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50371315
(CHEMBL273136)Show SMILES CNCc1cc(ccc1Oc1cccc(OC)c1)C(=O)N1CCCN(CC1)C1CC1 Show InChI InChI=1S/C24H31N3O3/c1-25-17-19-15-18(7-10-23(19)30-22-6-3-5-21(16-22)29-2)24(28)27-12-4-11-26(13-14-27)20-8-9-20/h3,5-7,10,15-16,20,25H,4,8-9,11-14,17H2,1-2H3 | PDB
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| 4.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of rat SERT |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50371302
(CHEMBL408206)Show SMILES CNCc1cc(ccc1Oc1ccc(Cl)c(Cl)c1)C(=O)N1CCN(CC1)C(C)C Show InChI InChI=1S/C22H27Cl2N3O2/c1-15(2)26-8-10-27(11-9-26)22(28)16-4-7-21(17(12-16)14-25-3)29-18-5-6-19(23)20(24)13-18/h4-7,12-13,15,25H,8-11,14H2,1-3H3 | PDB
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| 4.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of rat SERT |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50371304
(CHEMBL270165)Show SMILES CNCc1cc(ccc1Oc1ccc(SC)cc1)C(=O)N1CCN(CC1)C1CC1 Show InChI InChI=1S/C23H29N3O2S/c1-24-16-18-15-17(23(27)26-13-11-25(12-14-26)19-4-5-19)3-10-22(18)28-20-6-8-21(29-2)9-7-20/h3,6-10,15,19,24H,4-5,11-14,16H2,1-2H3 | PDB
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| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of human SERT |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50371281
(CHEMBL267267)Show SMILES CNCc1cc(ccc1Oc1ccc(SC)cc1)C(=O)N1CCCN(CC1)C(C)C Show InChI InChI=1S/C24H33N3O2S/c1-18(2)26-12-5-13-27(15-14-26)24(28)19-6-11-23(20(16-19)17-25-3)29-21-7-9-22(30-4)10-8-21/h6-11,16,18,25H,5,12-15,17H2,1-4H3 | PDB
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| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of human SERT |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50371295
(CHEMBL402286)Show SMILES CNCc1cc(ccc1Oc1ccc(SC(F)(F)F)cc1)C(=O)N1CCCN(CC1)C1CC1 Show InChI InChI=1S/C24H28F3N3O2S/c1-28-16-18-15-17(23(31)30-12-2-11-29(13-14-30)19-4-5-19)3-10-22(18)32-20-6-8-21(9-7-20)33-24(25,26)27/h3,6-10,15,19,28H,2,4-5,11-14,16H2,1H3 | PDB
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| 5.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of human histamine H3 receptor |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50371303
(CHEMBL273157)Show SMILES CNCc1cc(ccc1Oc1ccc(SC)c(C)c1)C(=O)N1CCN(CC1)C(C)C Show InChI InChI=1S/C24H33N3O2S/c1-17(2)26-10-12-27(13-11-26)24(28)19-6-8-22(20(15-19)16-25-4)29-21-7-9-23(30-5)18(3)14-21/h6-9,14-15,17,25H,10-13,16H2,1-5H3 | PDB
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| 5.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of rat SERT |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50371298
(CHEMBL270625)Show SMILES CNCc1cc(ccc1Oc1ccc(SC)cc1)C(=O)N1CCN(CC1)C(C)C Show InChI InChI=1S/C23H31N3O2S/c1-17(2)25-11-13-26(14-12-25)23(27)18-5-10-22(19(15-18)16-24-3)28-20-6-8-21(29-4)9-7-20/h5-10,15,17,24H,11-14,16H2,1-4H3 | PDB
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| 5.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of human SERT |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50371302
(CHEMBL408206)Show SMILES CNCc1cc(ccc1Oc1ccc(Cl)c(Cl)c1)C(=O)N1CCN(CC1)C(C)C Show InChI InChI=1S/C22H27Cl2N3O2/c1-15(2)26-8-10-27(11-9-26)22(28)16-4-7-21(17(12-16)14-25-3)29-18-5-6-19(23)20(24)13-18/h4-7,12-13,15,25H,8-11,14H2,1-3H3 | PDB
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| 6.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of human SERT |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50371305
(CHEMBL272077)Show SMILES CNCc1cc(ccc1Oc1ccc(Cl)cc1)C(=O)N1CCCN(CC1)C(C)C Show InChI InChI=1S/C23H30ClN3O2/c1-17(2)26-11-4-12-27(14-13-26)23(28)18-5-10-22(19(15-18)16-25-3)29-21-8-6-20(24)7-9-21/h5-10,15,17,25H,4,11-14,16H2,1-3H3 | PDB
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| 6.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of human SERT |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50371289
(CHEMBL258349)Show SMILES CNCc1cc(ccc1Oc1ccc(F)cc1)C(=O)N1CCCN(CC1)C1CC1 Show InChI InChI=1S/C23H28FN3O2/c1-25-16-18-15-17(3-10-22(18)29-21-8-4-19(24)5-9-21)23(28)27-12-2-11-26(13-14-27)20-6-7-20/h3-5,8-10,15,20,25H,2,6-7,11-14,16H2,1H3 | PDB
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| 6.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of rat SERT |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50328927
((4-cyclopropylpiperazin-1-yl)(4-(3,4-dichloropheno...)Show SMILES CNCc1cc(ccc1Oc1ccc(Cl)c(Cl)c1)C(=O)N1CCN(CC1)C1CC1 Show InChI InChI=1S/C22H25Cl2N3O2/c1-25-14-16-12-15(22(28)27-10-8-26(9-11-27)17-3-4-17)2-7-21(16)29-18-5-6-19(23)20(24)13-18/h2,5-7,12-13,17,25H,3-4,8-11,14H2,1H3 | PDB
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| 6.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of human SERT |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50371309
(CHEMBL270396)Show InChI InChI=1S/C22H27N3O2/c1-23-16-18-15-17(7-10-21(18)27-20-5-3-2-4-6-20)22(26)25-13-11-24(12-14-25)19-8-9-19/h2-7,10,15,19,23H,8-9,11-14,16H2,1H3 | PDB
Reactome pathway
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| 6.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of human histamine H3 receptor |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50371278
(CHEMBL258153)Show SMILES CNCc1cc(ccc1Oc1ccc(Cl)c(Cl)c1)C(=O)N1CCN(CC1)C1CCC1 Show InChI InChI=1S/C23H27Cl2N3O2/c1-26-15-17-13-16(5-8-22(17)30-19-6-7-20(24)21(25)14-19)23(29)28-11-9-27(10-12-28)18-3-2-4-18/h5-8,13-14,18,26H,2-4,9-12,15H2,1H3 | PDB
Reactome pathway
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| 7.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of human histamine H3 receptor |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50371288
(CHEMBL272698)Show SMILES CNCc1cc(ccc1Oc1ccc(Cl)cc1F)C(=O)N1CCCN(CC1)C1CC1 Show InChI InChI=1S/C23H27ClFN3O2/c1-26-15-17-13-16(3-7-21(17)30-22-8-4-18(24)14-20(22)25)23(29)28-10-2-9-27(11-12-28)19-5-6-19/h3-4,7-8,13-14,19,26H,2,5-6,9-12,15H2,1H3 | PDB
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| 7.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of rat SERT |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50371310
(CHEMBL256390)Show SMILES CNCc1cc(ccc1Oc1ccc(Cl)cc1)C(=O)N1CCN(CC1)C1CCCC1 Show InChI InChI=1S/C24H30ClN3O2/c1-26-17-19-16-18(6-11-23(19)30-22-9-7-20(25)8-10-22)24(29)28-14-12-27(13-15-28)21-4-2-3-5-21/h6-11,16,21,26H,2-5,12-15,17H2,1H3 | PDB
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| 8.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of rat SERT |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50371303
(CHEMBL273157)Show SMILES CNCc1cc(ccc1Oc1ccc(SC)c(C)c1)C(=O)N1CCN(CC1)C(C)C Show InChI InChI=1S/C24H33N3O2S/c1-17(2)26-10-12-27(13-11-26)24(28)19-6-8-22(20(15-19)16-25-4)29-21-7-9-23(30-5)18(3)14-21/h6-9,14-15,17,25H,10-13,16H2,1-5H3 | PDB
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| 8.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of human SERT |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50371311
(CHEMBL256044)Show SMILES CNCc1cc(ccc1Oc1ccc(Cl)cc1)C(=O)N1CCN(CC1)C(C)C Show InChI InChI=1S/C22H28ClN3O2/c1-16(2)25-10-12-26(13-11-25)22(27)17-4-9-21(18(14-17)15-24-3)28-20-7-5-19(23)6-8-20/h4-9,14,16,24H,10-13,15H2,1-3H3 | PDB
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UniChem
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PubMed
| 8.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of rat SERT |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50371285
(CHEMBL272917)Show SMILES CNCc1cc(ccc1Oc1ccc(F)c(Cl)c1)C(=O)N1CCCN(CC1)C1CC1 Show InChI InChI=1S/C23H27ClFN3O2/c1-26-15-17-13-16(3-8-22(17)30-19-6-7-21(25)20(24)14-19)23(29)28-10-2-9-27(11-12-28)18-4-5-18/h3,6-8,13-14,18,26H,2,4-5,9-12,15H2,1H3 | PDB
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| 8.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of rat SERT |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50371283
(CHEMBL257738)Show SMILES CNCc1cc(ccc1Oc1ccc(Cl)c(Cl)c1)C(=O)N1CCCN(CC1)C1CC1 Show InChI InChI=1S/C23H27Cl2N3O2/c1-26-15-17-13-16(3-8-22(17)30-19-6-7-20(24)21(25)14-19)23(29)28-10-2-9-27(11-12-28)18-4-5-18/h3,6-8,13-14,18,26H,2,4-5,9-12,15H2,1H3 | PDB
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| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of human SERT |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50371283
(CHEMBL257738)Show SMILES CNCc1cc(ccc1Oc1ccc(Cl)c(Cl)c1)C(=O)N1CCCN(CC1)C1CC1 Show InChI InChI=1S/C23H27Cl2N3O2/c1-26-15-17-13-16(3-8-22(17)30-19-6-7-20(24)21(25)14-19)23(29)28-10-2-9-27(11-12-28)18-4-5-18/h3,6-8,13-14,18,26H,2,4-5,9-12,15H2,1H3 | PDB
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| 9.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of rat SERT |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50328927
((4-cyclopropylpiperazin-1-yl)(4-(3,4-dichloropheno...)Show SMILES CNCc1cc(ccc1Oc1ccc(Cl)c(Cl)c1)C(=O)N1CCN(CC1)C1CC1 Show InChI InChI=1S/C22H25Cl2N3O2/c1-25-14-16-12-15(22(28)27-10-8-26(9-11-27)17-3-4-17)2-7-21(16)29-18-5-6-19(23)20(24)13-18/h2,5-7,12-13,17,25H,3-4,8-11,14H2,1H3 | PDB
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| 9.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of rat SERT |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50371299
(CHEMBL257221)Show SMILES CNCc1cc(ccc1Oc1ccc(SC)c(C)c1)C(=O)N1CCCN(CC1)C1CC1 Show InChI InChI=1S/C25H33N3O2S/c1-18-15-22(8-10-24(18)31-3)30-23-9-5-19(16-20(23)17-26-2)25(29)28-12-4-11-27(13-14-28)21-6-7-21/h5,8-10,15-16,21,26H,4,6-7,11-14,17H2,1-3H3 | PDB
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| 9.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of rat SERT |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50371301
(CHEMBL404247)Show SMILES CNCc1cc(ccc1Oc1ccc(Cl)cc1)C(=O)N1CCN(CC1)C1CC1 Show InChI InChI=1S/C22H26ClN3O2/c1-24-15-17-14-16(2-9-21(17)28-20-7-3-18(23)4-8-20)22(27)26-12-10-25(11-13-26)19-5-6-19/h2-4,7-9,14,19,24H,5-6,10-13,15H2,1H3 | PDB
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| 9.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of rat SERT |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50371287
(CHEMBL272699)Show SMILES CNCc1cc(ccc1Oc1cccc(Cl)c1)C(=O)N1CCCN(CC1)C1CC1 Show InChI InChI=1S/C23H28ClN3O2/c1-25-16-18-14-17(6-9-22(18)29-21-5-2-4-19(24)15-21)23(28)27-11-3-10-26(12-13-27)20-7-8-20/h2,4-6,9,14-15,20,25H,3,7-8,10-13,16H2,1H3 | PDB
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| 9.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of rat SERT |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50371277
(CHEMBL257743)Show SMILES CNCc1cc(ccc1Oc1ccc(Cl)cc1)C(=O)N1CCN(CC1)C1CCC1 Show InChI InChI=1S/C23H28ClN3O2/c1-25-16-18-15-17(5-10-22(18)29-21-8-6-19(24)7-9-21)23(28)27-13-11-26(12-14-27)20-3-2-4-20/h5-10,15,20,25H,2-4,11-14,16H2,1H3 | PDB
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| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of rat SERT |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50371284
(CHEMBL257909)Show SMILES CNCc1cc(ccc1Oc1ccc(Cl)cc1)C(=O)N1CCCN(CC1)C1CC1 Show InChI InChI=1S/C23H28ClN3O2/c1-25-16-18-15-17(3-10-22(18)29-21-8-4-19(24)5-9-21)23(28)27-12-2-11-26(13-14-27)20-6-7-20/h3-5,8-10,15,20,25H,2,6-7,11-14,16H2,1H3 | PDB
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| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of human SERT |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50371306
(CHEMBL257917 | JNJ-28583867)Show SMILES CSc1ccc(cc1)[C@@H]1CN(C)Cc2cc(OCCCN3CCOCC3)ccc12 Show InChI InChI=1S/C24H32N2O2S/c1-25-17-20-16-21(28-13-3-10-26-11-14-27-15-12-26)6-9-23(20)24(18-25)19-4-7-22(29-2)8-5-19/h4-9,16,24H,3,10-15,17-18H2,1-2H3/t24-/m0/s1 | PDB
Reactome pathway
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| 10.6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of human histamine H3 receptor |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50217576
(CHEMBL236046 | N-methyl(2-(4-(methylthio)phenoxy)-...)Show InChI InChI=1S/C23H28N2O2S/c1-24-18-20-17-19(5-3-4-12-25-13-15-26-16-14-25)6-11-23(20)27-21-7-9-22(28-2)10-8-21/h6-11,17,24H,4,12-16,18H2,1-2H3 | PDB
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| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of human histamine H3 receptor |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50371279
(CHEMBL409877)Show SMILES CNCc1cc(ccc1Oc1ccc(SC)c(C)c1)C(=O)N1CCN(CC1)C1CC1 Show InChI InChI=1S/C24H31N3O2S/c1-17-14-21(7-9-23(17)30-3)29-22-8-4-18(15-19(22)16-25-2)24(28)27-12-10-26(11-13-27)20-5-6-20/h4,7-9,14-15,20,25H,5-6,10-13,16H2,1-3H3 | PDB
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| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of human SERT |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50371295
(CHEMBL402286)Show SMILES CNCc1cc(ccc1Oc1ccc(SC(F)(F)F)cc1)C(=O)N1CCCN(CC1)C1CC1 Show InChI InChI=1S/C24H28F3N3O2S/c1-28-16-18-15-17(23(31)30-12-2-11-29(13-14-30)19-4-5-19)3-10-22(18)32-20-6-8-21(9-7-20)33-24(25,26)27/h3,6-10,15,19,28H,2,4-5,11-14,16H2,1H3 | PDB
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| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of rat SERT |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50371301
(CHEMBL404247)Show SMILES CNCc1cc(ccc1Oc1ccc(Cl)cc1)C(=O)N1CCN(CC1)C1CC1 Show InChI InChI=1S/C22H26ClN3O2/c1-24-15-17-14-16(2-9-21(17)28-20-7-3-18(23)4-8-20)22(27)26-12-10-25(11-13-26)19-5-6-19/h2-4,7-9,14,19,24H,5-6,10-13,15H2,1H3 | PDB
Reactome pathway
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| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of human histamine H3 receptor |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50371293
(CHEMBL403377)Show SMILES CNCc1cc(ccc1Oc1ccc(cc1)C(F)(F)F)C(=O)N1CCCN(CC1)C1CC1 Show InChI InChI=1S/C24H28F3N3O2/c1-28-16-18-15-17(23(31)30-12-2-11-29(13-14-30)20-6-7-20)3-10-22(18)32-21-8-4-19(5-9-21)24(25,26)27/h3-5,8-10,15,20,28H,2,6-7,11-14,16H2,1H3 | PDB
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| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of rat SERT |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50371312
(CHEMBL402590)Show SMILES CNCc1cc(ccc1Oc1ccc(Cl)c(Cl)c1)C(=O)N1CCN(CC1)C1CCCC1 Show InChI InChI=1S/C24H29Cl2N3O2/c1-27-16-18-14-17(6-9-23(18)31-20-7-8-21(25)22(26)15-20)24(30)29-12-10-28(11-13-29)19-4-2-3-5-19/h6-9,14-15,19,27H,2-5,10-13,16H2,1H3 | PDB
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| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of rat SERT |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50371299
(CHEMBL257221)Show SMILES CNCc1cc(ccc1Oc1ccc(SC)c(C)c1)C(=O)N1CCCN(CC1)C1CC1 Show InChI InChI=1S/C25H33N3O2S/c1-18-15-22(8-10-24(18)31-3)30-23-9-5-19(16-20(23)17-26-2)25(29)28-12-4-11-27(13-14-28)21-6-7-21/h5,8-10,15-16,21,26H,4,6-7,11-14,17H2,1-3H3 | PDB
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| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of human SERT |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50371278
(CHEMBL258153)Show SMILES CNCc1cc(ccc1Oc1ccc(Cl)c(Cl)c1)C(=O)N1CCN(CC1)C1CCC1 Show InChI InChI=1S/C23H27Cl2N3O2/c1-26-15-17-13-16(5-8-22(17)30-19-6-7-20(24)21(25)14-19)23(29)28-11-9-27(10-12-28)18-3-2-4-18/h5-8,13-14,18,26H,2-4,9-12,15H2,1H3 | PDB
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| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of rat SERT |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50371294
(CHEMBL257208)Show SMILES CNCc1cc(ccc1Oc1cccc(c1)C#N)C(=O)N1CCCN(CC1)C1CC1 Show InChI InChI=1S/C24H28N4O2/c1-26-17-20-15-19(6-9-23(20)30-22-5-2-4-18(14-22)16-25)24(29)28-11-3-10-27(12-13-28)21-7-8-21/h2,4-6,9,14-15,21,26H,3,7-8,10-13,17H2,1H3 | PDB
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| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of rat SERT |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50371315
(CHEMBL273136)Show SMILES CNCc1cc(ccc1Oc1cccc(OC)c1)C(=O)N1CCCN(CC1)C1CC1 Show InChI InChI=1S/C24H31N3O3/c1-25-17-19-15-18(7-10-23(19)30-22-6-3-5-21(16-22)29-2)24(28)27-12-4-11-26(13-14-27)20-8-9-20/h3,5-7,10,15-16,20,25H,4,8-9,11-14,17H2,1-2H3 | PDB
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| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of human SERT |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50371282
(CHEMBL272503)Show SMILES CNCc1cc(ccc1Oc1ccc(Cl)c(Cl)c1)C(=O)N1CCCN(CC1)C(C)C Show InChI InChI=1S/C23H29Cl2N3O2/c1-16(2)27-9-4-10-28(12-11-27)23(29)17-5-8-22(18(13-17)15-26-3)30-19-6-7-20(24)21(25)14-19/h5-8,13-14,16,26H,4,9-12,15H2,1-3H3 | PDB
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| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of human SERT |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50371280
(CHEMBL272289)Show SMILES CNCc1cc(ccc1Oc1cccc(Cl)c1)C(=O)N1CCCN(CC1)C(C)C Show InChI InChI=1S/C23H30ClN3O2/c1-17(2)26-10-5-11-27(13-12-26)23(28)18-8-9-22(19(14-18)16-25-3)29-21-7-4-6-20(24)15-21/h4,6-9,14-15,17,25H,5,10-13,16H2,1-3H3 | PDB
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| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of rat SERT |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50371276
(CHEMBL270607)Show SMILES CNCc1cc(ccc1Oc1cccc(Cl)c1)C(=O)N1CCN(CC1)C1CC1 Show InChI InChI=1S/C22H26ClN3O2/c1-24-15-17-13-16(5-8-21(17)28-20-4-2-3-18(23)14-20)22(27)26-11-9-25(10-12-26)19-6-7-19/h2-5,8,13-14,19,24H,6-7,9-12,15H2,1H3 | PDB
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| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of human histamine H3 receptor |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50371308
(CHEMBL270411)Show SMILES CNCc1cc(ccc1Oc1cccc(F)c1)C(=O)N1CCN(CC1)C1CC1 Show InChI InChI=1S/C22H26FN3O2/c1-24-15-17-13-16(5-8-21(17)28-20-4-2-3-18(23)14-20)22(27)26-11-9-25(10-12-26)19-6-7-19/h2-5,8,13-14,19,24H,6-7,9-12,15H2,1H3 | PDB
Reactome pathway
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| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of human histamine H3 receptor |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50371312
(CHEMBL402590)Show SMILES CNCc1cc(ccc1Oc1ccc(Cl)c(Cl)c1)C(=O)N1CCN(CC1)C1CCCC1 Show InChI InChI=1S/C24H29Cl2N3O2/c1-27-16-18-14-17(6-9-23(18)31-20-7-8-21(25)22(26)15-20)24(30)29-12-10-28(11-13-29)19-4-2-3-5-19/h6-9,14-15,19,27H,2-5,10-13,16H2,1H3 | PDB
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| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of human SERT |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50371278
(CHEMBL258153)Show SMILES CNCc1cc(ccc1Oc1ccc(Cl)c(Cl)c1)C(=O)N1CCN(CC1)C1CCC1 Show InChI InChI=1S/C23H27Cl2N3O2/c1-26-15-17-13-16(5-8-22(17)30-19-6-7-20(24)21(25)14-19)23(29)28-11-9-27(10-12-28)18-3-2-4-18/h5-8,13-14,18,26H,2-4,9-12,15H2,1H3 | PDB
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| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of human SERT |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50371307
(CHEMBL269966)Show SMILES CNCc1cc(ccc1Oc1ccc(cc1)C(F)(F)F)C(=O)N1CCN(CC1)C1CC1 Show InChI InChI=1S/C23H26F3N3O2/c1-27-15-17-14-16(22(30)29-12-10-28(11-13-29)19-5-6-19)2-9-21(17)31-20-7-3-18(4-8-20)23(24,25)26/h2-4,7-9,14,19,27H,5-6,10-13,15H2,1H3 | PDB
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| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of rat SERT |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50371293
(CHEMBL403377)Show SMILES CNCc1cc(ccc1Oc1ccc(cc1)C(F)(F)F)C(=O)N1CCCN(CC1)C1CC1 Show InChI InChI=1S/C24H28F3N3O2/c1-28-16-18-15-17(23(31)30-12-2-11-29(13-14-30)20-6-7-20)3-10-22(18)32-21-8-4-19(5-9-21)24(25,26)27/h3-5,8-10,15,20,28H,2,6-7,11-14,16H2,1H3 | PDB
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| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of human SERT |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50371300
(CHEMBL403148)Show SMILES CNCc1cc(ccc1Oc1cccc(OC)c1)C(=O)N1CCN(CC1)C(C)C Show InChI InChI=1S/C23H31N3O3/c1-17(2)25-10-12-26(13-11-25)23(27)18-8-9-22(19(14-18)16-24-3)29-21-7-5-6-20(15-21)28-4/h5-9,14-15,17,24H,10-13,16H2,1-4H3 | PDB
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| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of rat SERT |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50371312
(CHEMBL402590)Show SMILES CNCc1cc(ccc1Oc1ccc(Cl)c(Cl)c1)C(=O)N1CCN(CC1)C1CCCC1 Show InChI InChI=1S/C24H29Cl2N3O2/c1-27-16-18-14-17(6-9-23(18)31-20-7-8-21(25)22(26)15-20)24(30)29-12-10-28(11-13-29)19-4-2-3-5-19/h6-9,14-15,19,27H,2-5,10-13,16H2,1H3 | PDB
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| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of human histamine H3 receptor |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50371279
(CHEMBL409877)Show SMILES CNCc1cc(ccc1Oc1ccc(SC)c(C)c1)C(=O)N1CCN(CC1)C1CC1 Show InChI InChI=1S/C24H31N3O2S/c1-17-14-21(7-9-23(17)30-3)29-22-8-4-18(15-19(22)16-25-2)24(28)27-12-10-26(11-13-27)20-5-6-20/h4,7-9,14-15,20,25H,5-6,10-13,16H2,1-3H3 | PDB
Reactome pathway
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| 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of human histamine H3 receptor |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50371301
(CHEMBL404247)Show SMILES CNCc1cc(ccc1Oc1ccc(Cl)cc1)C(=O)N1CCN(CC1)C1CC1 Show InChI InChI=1S/C22H26ClN3O2/c1-24-15-17-14-16(2-9-21(17)28-20-7-3-18(23)4-8-20)22(27)26-12-10-25(11-13-26)19-5-6-19/h2-4,7-9,14,19,24H,5-6,10-13,15H2,1H3 | PDB
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| 23 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of human SERT |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50328927
((4-cyclopropylpiperazin-1-yl)(4-(3,4-dichloropheno...)Show SMILES CNCc1cc(ccc1Oc1ccc(Cl)c(Cl)c1)C(=O)N1CCN(CC1)C1CC1 Show InChI InChI=1S/C22H25Cl2N3O2/c1-25-14-16-12-15(22(28)27-10-8-26(9-11-27)17-3-4-17)2-7-21(16)29-18-5-6-19(23)20(24)13-18/h2,5-7,12-13,17,25H,3-4,8-11,14H2,1H3 | PDB
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| 23 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of human histamine H3 receptor |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50371311
(CHEMBL256044)Show SMILES CNCc1cc(ccc1Oc1ccc(Cl)cc1)C(=O)N1CCN(CC1)C(C)C Show InChI InChI=1S/C22H28ClN3O2/c1-16(2)25-10-12-26(13-11-25)22(27)17-4-9-21(18(14-17)15-24-3)28-20-7-5-19(23)6-8-20/h4-9,14,16,24H,10-13,15H2,1-3H3 | PDB
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| 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of human SERT |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50371310
(CHEMBL256390)Show SMILES CNCc1cc(ccc1Oc1ccc(Cl)cc1)C(=O)N1CCN(CC1)C1CCCC1 Show InChI InChI=1S/C24H30ClN3O2/c1-26-17-19-16-18(6-11-23(19)30-22-9-7-20(25)8-10-22)24(29)28-14-12-27(13-15-28)21-4-2-3-5-21/h6-11,16,21,26H,2-5,12-15,17H2,1H3 | PDB
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| 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of human SERT |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50371297
(CHEMBL404572)Show SMILES CNCc1cc(ccc1Oc1ccc(cc1)C#N)C(=O)N1CCCN(CC1)C1CC1 Show InChI InChI=1S/C24H28N4O2/c1-26-17-20-15-19(5-10-23(20)30-22-8-3-18(16-25)4-9-22)24(29)28-12-2-11-27(13-14-28)21-6-7-21/h3-5,8-10,15,21,26H,2,6-7,11-14,17H2,1H3 | PDB
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| 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of rat SERT |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50371300
(CHEMBL403148)Show SMILES CNCc1cc(ccc1Oc1cccc(OC)c1)C(=O)N1CCN(CC1)C(C)C Show InChI InChI=1S/C23H31N3O3/c1-17(2)25-10-12-26(13-11-25)23(27)18-8-9-22(19(14-18)16-24-3)29-21-7-5-6-20(15-21)28-4/h5-9,14-15,17,24H,10-13,16H2,1-4H3 | PDB
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| 28 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of human SERT |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50371304
(CHEMBL270165)Show SMILES CNCc1cc(ccc1Oc1ccc(SC)cc1)C(=O)N1CCN(CC1)C1CC1 Show InChI InChI=1S/C23H29N3O2S/c1-24-16-18-15-17(23(27)26-13-11-25(12-14-26)19-4-5-19)3-10-22(18)28-20-6-8-21(29-2)9-7-20/h3,6-10,15,19,24H,4-5,11-14,16H2,1-2H3 | PDB
Reactome pathway
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| 29 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of human histamine H3 receptor |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50371285
(CHEMBL272917)Show SMILES CNCc1cc(ccc1Oc1ccc(F)c(Cl)c1)C(=O)N1CCCN(CC1)C1CC1 Show InChI InChI=1S/C23H27ClFN3O2/c1-26-15-17-13-16(3-8-22(17)30-19-6-7-21(25)20(24)14-19)23(29)28-10-2-9-27(11-12-28)18-4-5-18/h3,6-8,13-14,18,26H,2,4-5,9-12,15H2,1H3 | PDB
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| 36 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of human SERT |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50371307
(CHEMBL269966)Show SMILES CNCc1cc(ccc1Oc1ccc(cc1)C(F)(F)F)C(=O)N1CCN(CC1)C1CC1 Show InChI InChI=1S/C23H26F3N3O2/c1-27-15-17-14-16(22(30)29-12-10-28(11-13-29)19-5-6-19)2-9-21(17)31-20-7-3-18(4-8-20)23(24,25)26/h2-4,7-9,14,19,27H,5-6,10-13,15H2,1H3 | PDB
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| 37 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of human SERT |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50371290
(CHEMBL401683)Show SMILES CNCc1cc(ccc1Oc1ccccc1)C(=O)N1CCCN(CC1)C1CC1 Show InChI InChI=1S/C23H29N3O2/c1-24-17-19-16-18(8-11-22(19)28-21-6-3-2-4-7-21)23(27)26-13-5-12-25(14-15-26)20-9-10-20/h2-4,6-8,11,16,20,24H,5,9-10,12-15,17H2,1H3 | PDB
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| 37 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of rat SERT |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50371307
(CHEMBL269966)Show SMILES CNCc1cc(ccc1Oc1ccc(cc1)C(F)(F)F)C(=O)N1CCN(CC1)C1CC1 Show InChI InChI=1S/C23H26F3N3O2/c1-27-15-17-14-16(22(30)29-12-10-28(11-13-29)19-5-6-19)2-9-21(17)31-20-7-3-18(4-8-20)23(24,25)26/h2-4,7-9,14,19,27H,5-6,10-13,15H2,1H3 | PDB
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| 37 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of human histamine H3 receptor |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50371277
(CHEMBL257743)Show SMILES CNCc1cc(ccc1Oc1ccc(Cl)cc1)C(=O)N1CCN(CC1)C1CCC1 Show InChI InChI=1S/C23H28ClN3O2/c1-25-16-18-15-17(5-10-22(18)29-21-8-6-19(24)7-9-21)23(28)27-13-11-26(12-14-27)20-3-2-4-20/h5-10,15,20,25H,2-4,11-14,16H2,1H3 | PDB
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| 39 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of human SERT |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50371286
(CHEMBL401867)Show SMILES CNCc1cc(ccc1Oc1cccc(F)c1)C(=O)N1CCCN(CC1)C1CC1 Show InChI InChI=1S/C23H28FN3O2/c1-25-16-18-14-17(6-9-22(18)29-21-5-2-4-19(24)15-21)23(28)27-11-3-10-26(12-13-27)20-7-8-20/h2,4-6,9,14-15,20,25H,3,7-8,10-13,16H2,1H3 | PDB
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| 39 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of rat SERT |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50371288
(CHEMBL272698)Show SMILES CNCc1cc(ccc1Oc1ccc(Cl)cc1F)C(=O)N1CCCN(CC1)C1CC1 Show InChI InChI=1S/C23H27ClFN3O2/c1-26-15-17-13-16(3-7-21(17)30-22-8-4-18(24)14-20(22)25)23(29)28-10-2-9-27(11-12-28)19-5-6-19/h3-4,7-8,13-14,19,26H,2,5-6,9-12,15H2,1H3 | PDB
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| 41 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of human SERT |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50371287
(CHEMBL272699)Show SMILES CNCc1cc(ccc1Oc1cccc(Cl)c1)C(=O)N1CCCN(CC1)C1CC1 Show InChI InChI=1S/C23H28ClN3O2/c1-25-16-18-14-17(6-9-22(18)29-21-5-2-4-19(24)15-21)23(28)27-11-3-10-26(12-13-27)20-7-8-20/h2,4-6,9,14-15,20,25H,3,7-8,10-13,16H2,1H3 | PDB
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| 47 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of human SERT |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50371289
(CHEMBL258349)Show SMILES CNCc1cc(ccc1Oc1ccc(F)cc1)C(=O)N1CCCN(CC1)C1CC1 Show InChI InChI=1S/C23H28FN3O2/c1-25-16-18-15-17(3-10-22(18)29-21-8-4-19(24)5-9-21)23(28)27-12-2-11-26(13-14-27)20-6-7-20/h3-5,8-10,15,20,25H,2,6-7,11-14,16H2,1H3 | PDB
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| 68 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of human SERT |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50371302
(CHEMBL408206)Show SMILES CNCc1cc(ccc1Oc1ccc(Cl)c(Cl)c1)C(=O)N1CCN(CC1)C(C)C Show InChI InChI=1S/C22H27Cl2N3O2/c1-15(2)26-8-10-27(11-9-26)22(28)16-4-7-21(17(12-16)14-25-3)29-18-5-6-19(23)20(24)13-18/h4-7,12-13,15,25H,8-11,14H2,1-3H3 | Reactome pathway
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| 82 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity to human NET |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50371297
(CHEMBL404572)Show SMILES CNCc1cc(ccc1Oc1ccc(cc1)C#N)C(=O)N1CCCN(CC1)C1CC1 Show InChI InChI=1S/C24H28N4O2/c1-26-17-20-15-19(5-10-23(20)30-22-8-3-18(16-25)4-9-22)24(29)28-12-2-11-27(13-14-28)21-6-7-21/h3-5,8-10,15,21,26H,2,6-7,11-14,17H2,1H3 | PDB
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| 94 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of human SERT |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50371295
(CHEMBL402286)Show SMILES CNCc1cc(ccc1Oc1ccc(SC(F)(F)F)cc1)C(=O)N1CCCN(CC1)C1CC1 Show InChI InChI=1S/C24H28F3N3O2S/c1-28-16-18-15-17(23(31)30-12-2-11-29(13-14-30)19-4-5-19)3-10-22(18)32-20-6-8-21(9-7-20)33-24(25,26)27/h3,6-10,15,19,28H,2,4-5,11-14,16H2,1H3 | PDB
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| 95 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of human SERT |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50371308
(CHEMBL270411)Show SMILES CNCc1cc(ccc1Oc1cccc(F)c1)C(=O)N1CCN(CC1)C1CC1 Show InChI InChI=1S/C22H26FN3O2/c1-24-15-17-13-16(5-8-21(17)28-20-4-2-3-18(23)14-20)22(27)26-11-9-25(10-12-26)19-6-7-19/h2-5,8,13-14,19,24H,6-7,9-12,15H2,1H3 | PDB
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| 102 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of rat SERT |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50371284
(CHEMBL257909)Show SMILES CNCc1cc(ccc1Oc1ccc(Cl)cc1)C(=O)N1CCCN(CC1)C1CC1 Show InChI InChI=1S/C23H28ClN3O2/c1-25-16-18-15-17(3-10-22(18)29-21-8-4-19(24)5-9-21)23(28)27-12-2-11-26(13-14-27)20-6-7-20/h3-5,8-10,15,20,25H,2,6-7,11-14,16H2,1H3 | Reactome pathway
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| 112 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity to human NET |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50371276
(CHEMBL270607)Show SMILES CNCc1cc(ccc1Oc1cccc(Cl)c1)C(=O)N1CCN(CC1)C1CC1 Show InChI InChI=1S/C22H26ClN3O2/c1-24-15-17-13-16(5-8-21(17)28-20-4-2-3-18(23)14-20)22(27)26-11-9-25(10-12-26)19-6-7-19/h2-5,8,13-14,19,24H,6-7,9-12,15H2,1H3 | PDB
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| 113 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of rat SERT |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50371280
(CHEMBL272289)Show SMILES CNCc1cc(ccc1Oc1cccc(Cl)c1)C(=O)N1CCCN(CC1)C(C)C Show InChI InChI=1S/C23H30ClN3O2/c1-17(2)26-10-5-11-27(13-12-26)23(28)18-8-9-22(19(14-18)16-25-3)29-21-7-4-6-20(24)15-21/h4,6-9,14-15,17,25H,5,10-13,16H2,1-3H3 | PDB
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| 116 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of human SERT |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50371314
(CHEMBL402949)Show SMILES CNCc1cc(ccc1Oc1ccccc1F)C(=O)N1CCCN(CC1)C1CC1 Show InChI InChI=1S/C23H28FN3O2/c1-25-16-18-15-17(7-10-21(18)29-22-6-3-2-5-20(22)24)23(28)27-12-4-11-26(13-14-27)19-8-9-19/h2-3,5-7,10,15,19,25H,4,8-9,11-14,16H2,1H3 | PDB
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| 117 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of rat SERT |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50371294
(CHEMBL257208)Show SMILES CNCc1cc(ccc1Oc1cccc(c1)C#N)C(=O)N1CCCN(CC1)C1CC1 Show InChI InChI=1S/C24H28N4O2/c1-26-17-20-15-19(6-9-23(20)30-22-5-2-4-18(14-22)16-25)24(29)28-11-3-10-27(12-13-28)21-7-8-21/h2,4-6,9,14-15,21,26H,3,7-8,10-13,17H2,1H3 | PDB
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| 122 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of human SERT |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50371283
(CHEMBL257738)Show SMILES CNCc1cc(ccc1Oc1ccc(Cl)c(Cl)c1)C(=O)N1CCCN(CC1)C1CC1 Show InChI InChI=1S/C23H27Cl2N3O2/c1-26-15-17-13-16(3-8-22(17)30-19-6-7-20(24)21(25)14-19)23(29)28-10-2-9-27(11-12-28)18-4-5-18/h3,6-8,13-14,18,26H,2,4-5,9-12,15H2,1H3 | Reactome pathway
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| 140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity to human NET |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50371276
(CHEMBL270607)Show SMILES CNCc1cc(ccc1Oc1cccc(Cl)c1)C(=O)N1CCN(CC1)C1CC1 Show InChI InChI=1S/C22H26ClN3O2/c1-24-15-17-13-16(5-8-21(17)28-20-4-2-3-18(23)14-20)22(27)26-11-9-25(10-12-26)19-6-7-19/h2-5,8,13-14,19,24H,6-7,9-12,15H2,1H3 | PDB
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| 155 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of human SERT |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50371309
(CHEMBL270396)Show InChI InChI=1S/C22H27N3O2/c1-23-16-18-15-17(7-10-21(18)27-20-5-3-2-4-6-20)22(26)25-13-11-24(12-14-25)19-8-9-19/h2-7,10,15,19,23H,8-9,11-14,16H2,1H3 | PDB
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| 186 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of rat SERT |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50371290
(CHEMBL401683)Show SMILES CNCc1cc(ccc1Oc1ccccc1)C(=O)N1CCCN(CC1)C1CC1 Show InChI InChI=1S/C23H29N3O2/c1-24-17-19-16-18(8-11-22(19)28-21-6-3-2-4-7-21)23(27)26-13-5-12-25(14-15-26)20-9-10-20/h2-4,6-8,11,16,20,24H,5,9-10,12-15,17H2,1H3 | PDB
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| 229 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of human SERT |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50371286
(CHEMBL401867)Show SMILES CNCc1cc(ccc1Oc1cccc(F)c1)C(=O)N1CCCN(CC1)C1CC1 Show InChI InChI=1S/C23H28FN3O2/c1-25-16-18-14-17(6-9-22(18)29-21-5-2-4-19(24)15-21)23(28)27-11-3-10-26(12-13-27)20-7-8-20/h2,4-6,9,14-15,20,25H,3,7-8,10-13,16H2,1H3 | PDB
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| 236 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of human SERT |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50371291
(CHEMBL257009)Show SMILES CNCc1cc(ccc1Oc1ccccc1C#N)C(=O)N1CCCN(CC1)C1CC1 Show InChI InChI=1S/C24H28N4O2/c1-26-17-20-15-18(7-10-23(20)30-22-6-3-2-5-19(22)16-25)24(29)28-12-4-11-27(13-14-28)21-8-9-21/h2-3,5-7,10,15,21,26H,4,8-9,11-14,17H2,1H3 | PDB
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| 238 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of rat SERT |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50371296
(CHEMBL255127)Show SMILES CNCc1cc(ccc1Oc1ccccc1OC(F)(F)F)C(=O)N1CCCN(CC1)C1CC1 Show InChI InChI=1S/C24H28F3N3O3/c1-28-16-18-15-17(23(31)30-12-4-11-29(13-14-30)19-8-9-19)7-10-20(18)32-21-5-2-3-6-22(21)33-24(25,26)27/h2-3,5-7,10,15,19,28H,4,8-9,11-14,16H2,1H3 | PDB
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| 299 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of rat SERT |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50371302
(CHEMBL408206)Show SMILES CNCc1cc(ccc1Oc1ccc(Cl)c(Cl)c1)C(=O)N1CCN(CC1)C(C)C Show InChI InChI=1S/C22H27Cl2N3O2/c1-15(2)26-8-10-27(11-9-26)22(28)16-4-7-21(17(12-16)14-25-3)29-18-5-6-19(23)20(24)13-18/h4-7,12-13,15,25H,8-11,14H2,1-3H3 | NCI pathway
Reactome pathway
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| 330 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity to human DAT |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50371283
(CHEMBL257738)Show SMILES CNCc1cc(ccc1Oc1ccc(Cl)c(Cl)c1)C(=O)N1CCCN(CC1)C1CC1 Show InChI InChI=1S/C23H27Cl2N3O2/c1-26-15-17-13-16(3-8-22(17)30-19-6-7-20(24)21(25)14-19)23(29)28-10-2-9-27(11-12-28)18-4-5-18/h3,6-8,13-14,18,26H,2,4-5,9-12,15H2,1H3 | NCI pathway
Reactome pathway
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| 330 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity to human DAT |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50371308
(CHEMBL270411)Show SMILES CNCc1cc(ccc1Oc1cccc(F)c1)C(=O)N1CCN(CC1)C1CC1 Show InChI InChI=1S/C22H26FN3O2/c1-24-15-17-13-16(5-8-21(17)28-20-4-2-3-18(23)14-20)22(27)26-11-9-25(10-12-26)19-6-7-19/h2-5,8,13-14,19,24H,6-7,9-12,15H2,1H3 | PDB
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| 363 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of human SERT |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50371287
(CHEMBL272699)Show SMILES CNCc1cc(ccc1Oc1cccc(Cl)c1)C(=O)N1CCCN(CC1)C1CC1 Show InChI InChI=1S/C23H28ClN3O2/c1-25-16-18-14-17(6-9-22(18)29-21-5-2-4-19(24)15-21)23(28)27-11-3-10-26(12-13-27)20-7-8-20/h2,4-6,9,14-15,20,25H,3,7-8,10-13,16H2,1H3 | Reactome pathway
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| 420 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity to human NET |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50371303
(CHEMBL273157)Show SMILES CNCc1cc(ccc1Oc1ccc(SC)c(C)c1)C(=O)N1CCN(CC1)C(C)C Show InChI InChI=1S/C24H33N3O2S/c1-17(2)26-10-12-27(13-11-26)24(28)19-6-8-22(20(15-19)16-25-4)29-21-7-9-23(30-5)18(3)14-21/h6-9,14-15,17,25H,10-13,16H2,1-5H3 | Reactome pathway
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| 470 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity to human NET |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50371290
(CHEMBL401683)Show SMILES CNCc1cc(ccc1Oc1ccccc1)C(=O)N1CCCN(CC1)C1CC1 Show InChI InChI=1S/C23H29N3O2/c1-24-17-19-16-18(8-11-22(19)28-21-6-3-2-4-7-21)23(27)26-13-5-12-25(14-15-26)20-9-10-20/h2-4,6-8,11,16,20,24H,5,9-10,12-15,17H2,1H3 | Reactome pathway
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| 470 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity to human NET |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50328927
((4-cyclopropylpiperazin-1-yl)(4-(3,4-dichloropheno...)Show SMILES CNCc1cc(ccc1Oc1ccc(Cl)c(Cl)c1)C(=O)N1CCN(CC1)C1CC1 Show InChI InChI=1S/C22H25Cl2N3O2/c1-25-14-16-12-15(22(28)27-10-8-26(9-11-27)17-3-4-17)2-7-21(16)29-18-5-6-19(23)20(24)13-18/h2,5-7,12-13,17,25H,3-4,8-11,14H2,1H3 | NCI pathway
Reactome pathway
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| 490 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity to human DAT |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50371298
(CHEMBL270625)Show SMILES CNCc1cc(ccc1Oc1ccc(SC)cc1)C(=O)N1CCN(CC1)C(C)C Show InChI InChI=1S/C23H31N3O2S/c1-17(2)25-11-13-26(14-12-25)23(27)18-5-10-22(19(15-18)16-24-3)28-20-6-8-21(29-4)9-7-20/h5-10,15,17,24H,11-14,16H2,1-4H3 | Reactome pathway
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| 530 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity to human NET |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50371309
(CHEMBL270396)Show InChI InChI=1S/C22H27N3O2/c1-23-16-18-15-17(7-10-21(18)27-20-5-3-2-4-6-20)22(26)25-13-11-24(12-14-25)19-8-9-19/h2-7,10,15,19,23H,8-9,11-14,16H2,1H3 | PDB
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| 535 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of human SERT |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50371314
(CHEMBL402949)Show SMILES CNCc1cc(ccc1Oc1ccccc1F)C(=O)N1CCCN(CC1)C1CC1 Show InChI InChI=1S/C23H28FN3O2/c1-25-16-18-15-17(7-10-21(18)29-22-6-3-2-5-20(22)24)23(28)27-12-4-11-26(13-14-27)19-8-9-19/h2-3,5-7,10,15,19,25H,4,8-9,11-14,16H2,1H3 | PDB
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| 562 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of human SERT |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50371296
(CHEMBL255127)Show SMILES CNCc1cc(ccc1Oc1ccccc1OC(F)(F)F)C(=O)N1CCCN(CC1)C1CC1 Show InChI InChI=1S/C24H28F3N3O3/c1-28-16-18-15-17(23(31)30-12-4-11-29(13-14-30)19-8-9-19)7-10-20(18)32-21-5-2-3-6-22(21)33-24(25,26)27/h2-3,5-7,10,15,19,28H,4,8-9,11-14,16H2,1H3 | PDB
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| 702 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of human SERT |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50371300
(CHEMBL403148)Show SMILES CNCc1cc(ccc1Oc1cccc(OC)c1)C(=O)N1CCN(CC1)C(C)C Show InChI InChI=1S/C23H31N3O3/c1-17(2)25-10-12-26(13-11-25)23(27)18-8-9-22(19(14-18)16-24-3)29-21-7-5-6-20(15-21)28-4/h5-9,14-15,17,24H,10-13,16H2,1-4H3 | Reactome pathway
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| 730 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity to human NET |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50371286
(CHEMBL401867)Show SMILES CNCc1cc(ccc1Oc1cccc(F)c1)C(=O)N1CCCN(CC1)C1CC1 Show InChI InChI=1S/C23H28FN3O2/c1-25-16-18-14-17(6-9-22(18)29-21-5-2-4-19(24)15-21)23(28)27-11-3-10-26(12-13-27)20-7-8-20/h2,4-6,9,14-15,20,25H,3,7-8,10-13,16H2,1H3 | Reactome pathway
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| 760 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity to human NET |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50371284
(CHEMBL257909)Show SMILES CNCc1cc(ccc1Oc1ccc(Cl)cc1)C(=O)N1CCCN(CC1)C1CC1 Show InChI InChI=1S/C23H28ClN3O2/c1-25-16-18-15-17(3-10-22(18)29-21-8-4-19(24)5-9-21)23(28)27-12-2-11-26(13-14-27)20-6-7-20/h3-5,8-10,15,20,25H,2,6-7,11-14,16H2,1H3 | NCI pathway
Reactome pathway
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| 770 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity to human DAT |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50371291
(CHEMBL257009)Show SMILES CNCc1cc(ccc1Oc1ccccc1C#N)C(=O)N1CCCN(CC1)C1CC1 Show InChI InChI=1S/C24H28N4O2/c1-26-17-20-15-18(7-10-23(20)30-22-6-3-2-5-19(22)16-25)24(29)28-12-4-11-27(13-14-28)21-8-9-21/h2-3,5-7,10,15,21,26H,4,8-9,11-14,17H2,1H3 | PDB
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| 797 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of human SERT |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50371313
(CHEMBL439246)Show SMILES CNCc1cc(ccc1Oc1ccccc1C(F)(F)F)C(=O)N1CCCN(CC1)C1CC1 Show InChI InChI=1S/C24H28F3N3O2/c1-28-16-18-15-17(23(31)30-12-4-11-29(13-14-30)19-8-9-19)7-10-21(18)32-22-6-3-2-5-20(22)24(25,26)27/h2-3,5-7,10,15,19,28H,4,8-9,11-14,16H2,1H3 | PDB
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| 900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of rat SERT |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50371301
(CHEMBL404247)Show SMILES CNCc1cc(ccc1Oc1ccc(Cl)cc1)C(=O)N1CCN(CC1)C1CC1 Show InChI InChI=1S/C22H26ClN3O2/c1-24-15-17-14-16(2-9-21(17)28-20-7-3-18(23)4-8-20)22(27)26-12-10-25(11-13-26)19-5-6-19/h2-4,7-9,14,19,24H,5-6,10-13,15H2,1H3 | Reactome pathway
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| 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity to human NET |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50371313
(CHEMBL439246)Show SMILES CNCc1cc(ccc1Oc1ccccc1C(F)(F)F)C(=O)N1CCCN(CC1)C1CC1 Show InChI InChI=1S/C24H28F3N3O2/c1-28-16-18-15-17(23(31)30-12-4-11-29(13-14-30)19-8-9-19)7-10-21(18)32-22-6-3-2-5-20(22)24(25,26)27/h2-3,5-7,10,15,19,28H,4,8-9,11-14,16H2,1H3 | PDB
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| 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Inhibition of human SERT |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50371276
(CHEMBL270607)Show SMILES CNCc1cc(ccc1Oc1cccc(Cl)c1)C(=O)N1CCN(CC1)C1CC1 Show InChI InChI=1S/C22H26ClN3O2/c1-24-15-17-13-16(5-8-21(17)28-20-4-2-3-18(23)14-20)22(27)26-11-9-25(10-12-26)19-6-7-19/h2-5,8,13-14,19,24H,6-7,9-12,15H2,1H3 | Reactome pathway
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| 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity to human NET |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50371287
(CHEMBL272699)Show SMILES CNCc1cc(ccc1Oc1cccc(Cl)c1)C(=O)N1CCCN(CC1)C1CC1 Show InChI InChI=1S/C23H28ClN3O2/c1-25-16-18-14-17(6-9-22(18)29-21-5-2-4-19(24)15-21)23(28)27-11-3-10-26(12-13-27)20-7-8-20/h2,4-6,9,14-15,20,25H,3,7-8,10-13,16H2,1H3 | NCI pathway
Reactome pathway
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| 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity to human DAT |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50371301
(CHEMBL404247)Show SMILES CNCc1cc(ccc1Oc1ccc(Cl)cc1)C(=O)N1CCN(CC1)C1CC1 Show InChI InChI=1S/C22H26ClN3O2/c1-24-15-17-14-16(2-9-21(17)28-20-7-3-18(23)4-8-20)22(27)26-12-10-25(11-13-26)19-5-6-19/h2-4,7-9,14,19,24H,5-6,10-13,15H2,1H3 | NCI pathway
Reactome pathway
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| 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity to human DAT |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50328927
((4-cyclopropylpiperazin-1-yl)(4-(3,4-dichloropheno...)Show SMILES CNCc1cc(ccc1Oc1ccc(Cl)c(Cl)c1)C(=O)N1CCN(CC1)C1CC1 Show InChI InChI=1S/C22H25Cl2N3O2/c1-25-14-16-12-15(22(28)27-10-8-26(9-11-27)17-3-4-17)2-7-21(16)29-18-5-6-19(23)20(24)13-18/h2,5-7,12-13,17,25H,3-4,8-11,14H2,1H3 | Reactome pathway
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| 3.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity to human NET |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50371299
(CHEMBL257221)Show SMILES CNCc1cc(ccc1Oc1ccc(SC)c(C)c1)C(=O)N1CCCN(CC1)C1CC1 Show InChI InChI=1S/C25H33N3O2S/c1-18-15-22(8-10-24(18)31-3)30-23-9-5-19(16-20(23)17-26-2)25(29)28-12-4-11-27(13-14-28)21-6-7-21/h5,8-10,15-16,21,26H,4,6-7,11-14,17H2,1-3H3 | Reactome pathway
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| 3.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity to human NET |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50371304
(CHEMBL270165)Show SMILES CNCc1cc(ccc1Oc1ccc(SC)cc1)C(=O)N1CCN(CC1)C1CC1 Show InChI InChI=1S/C23H29N3O2S/c1-24-16-18-15-17(23(27)26-13-11-25(12-14-26)19-4-5-19)3-10-22(18)28-20-6-8-21(29-2)9-7-20/h3,6-10,15,19,24H,4-5,11-14,16H2,1-2H3 | Reactome pathway
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| 3.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity to human NET |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50371303
(CHEMBL273157)Show SMILES CNCc1cc(ccc1Oc1ccc(SC)c(C)c1)C(=O)N1CCN(CC1)C(C)C Show InChI InChI=1S/C24H33N3O2S/c1-17(2)26-10-12-27(13-11-26)24(28)19-6-8-22(20(15-19)16-25-4)29-21-7-9-23(30-5)18(3)14-21/h6-9,14-15,17,25H,10-13,16H2,1-5H3 | NCI pathway
Reactome pathway
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| 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity to human DAT |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50371279
(CHEMBL409877)Show SMILES CNCc1cc(ccc1Oc1ccc(SC)c(C)c1)C(=O)N1CCN(CC1)C1CC1 Show InChI InChI=1S/C24H31N3O2S/c1-17-14-21(7-9-23(17)30-3)29-22-8-4-18(15-19(22)16-25-2)24(28)27-12-10-26(11-13-27)20-5-6-20/h4,7-9,14-15,20,25H,5-6,10-13,16H2,1-3H3 | Reactome pathway
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| 4.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity to human NET |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50371293
(CHEMBL403377)Show SMILES CNCc1cc(ccc1Oc1ccc(cc1)C(F)(F)F)C(=O)N1CCCN(CC1)C1CC1 Show InChI InChI=1S/C24H28F3N3O2/c1-28-16-18-15-17(23(31)30-12-2-11-29(13-14-30)20-6-7-20)3-10-22(18)32-21-8-4-19(5-9-21)24(25,26)27/h3-5,8-10,15,20,28H,2,6-7,11-14,16H2,1H3 | Reactome pathway
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| 5.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity to human NET |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50371276
(CHEMBL270607)Show SMILES CNCc1cc(ccc1Oc1cccc(Cl)c1)C(=O)N1CCN(CC1)C1CC1 Show InChI InChI=1S/C22H26ClN3O2/c1-24-15-17-13-16(5-8-21(17)28-20-4-2-3-18(23)14-20)22(27)26-11-9-25(10-12-26)19-6-7-19/h2-5,8,13-14,19,24H,6-7,9-12,15H2,1H3 | NCI pathway
Reactome pathway
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| 7.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity to human DAT |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50371300
(CHEMBL403148)Show SMILES CNCc1cc(ccc1Oc1cccc(OC)c1)C(=O)N1CCN(CC1)C(C)C Show InChI InChI=1S/C23H31N3O3/c1-17(2)25-10-12-26(13-11-25)23(27)18-8-9-22(19(14-18)16-24-3)29-21-7-5-6-20(15-21)28-4/h5-9,14-15,17,24H,10-13,16H2,1-4H3 | NCI pathway
Reactome pathway
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| 7.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity to human DAT |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50371279
(CHEMBL409877)Show SMILES CNCc1cc(ccc1Oc1ccc(SC)c(C)c1)C(=O)N1CCN(CC1)C1CC1 Show InChI InChI=1S/C24H31N3O2S/c1-17-14-21(7-9-23(17)30-3)29-22-8-4-18(15-19(22)16-25-2)24(28)27-12-10-26(11-13-27)20-5-6-20/h4,7-9,14-15,20,25H,5-6,10-13,16H2,1-3H3 | NCI pathway
Reactome pathway
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| 7.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity to human DAT |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50371290
(CHEMBL401683)Show SMILES CNCc1cc(ccc1Oc1ccccc1)C(=O)N1CCCN(CC1)C1CC1 Show InChI InChI=1S/C23H29N3O2/c1-24-17-19-16-18(8-11-22(19)28-21-6-3-2-4-7-21)23(27)26-13-5-12-25(14-15-26)20-9-10-20/h2-4,6-8,11,16,20,24H,5,9-10,12-15,17H2,1H3 | NCI pathway
Reactome pathway
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| 7.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity to human DAT |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50371298
(CHEMBL270625)Show SMILES CNCc1cc(ccc1Oc1ccc(SC)cc1)C(=O)N1CCN(CC1)C(C)C Show InChI InChI=1S/C23H31N3O2S/c1-17(2)25-11-13-26(14-12-25)23(27)18-5-10-22(19(15-18)16-24-3)28-20-6-8-21(29-4)9-7-20/h5-10,15,17,24H,11-14,16H2,1-4H3 | NCI pathway
Reactome pathway
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| 7.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity to human DAT |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50371299
(CHEMBL257221)Show SMILES CNCc1cc(ccc1Oc1ccc(SC)c(C)c1)C(=O)N1CCCN(CC1)C1CC1 Show InChI InChI=1S/C25H33N3O2S/c1-18-15-22(8-10-24(18)31-3)30-23-9-5-19(16-20(23)17-26-2)25(29)28-12-4-11-27(13-14-28)21-6-7-21/h5,8-10,15-16,21,26H,4,6-7,11-14,17H2,1-3H3 | NCI pathway
Reactome pathway
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| 7.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity to human DAT |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50371286
(CHEMBL401867)Show SMILES CNCc1cc(ccc1Oc1cccc(F)c1)C(=O)N1CCCN(CC1)C1CC1 Show InChI InChI=1S/C23H28FN3O2/c1-25-16-18-14-17(6-9-22(18)29-21-5-2-4-19(24)15-21)23(28)27-11-3-10-26(12-13-27)20-7-8-20/h2,4-6,9,14-15,20,25H,3,7-8,10-13,16H2,1H3 | NCI pathway
Reactome pathway
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| 8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity to human DAT |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50371304
(CHEMBL270165)Show SMILES CNCc1cc(ccc1Oc1ccc(SC)cc1)C(=O)N1CCN(CC1)C1CC1 Show InChI InChI=1S/C23H29N3O2S/c1-24-16-18-15-17(23(27)26-13-11-25(12-14-26)19-4-5-19)3-10-22(18)28-20-6-8-21(29-2)9-7-20/h3,6-10,15,19,24H,4-5,11-14,16H2,1-2H3 | NCI pathway
Reactome pathway
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| 8.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity to human DAT |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50371293
(CHEMBL403377)Show SMILES CNCc1cc(ccc1Oc1ccc(cc1)C(F)(F)F)C(=O)N1CCCN(CC1)C1CC1 Show InChI InChI=1S/C24H28F3N3O2/c1-28-16-18-15-17(23(31)30-12-2-11-29(13-14-30)20-6-7-20)3-10-22(18)32-21-8-4-19(5-9-21)24(25,26)27/h3-5,8-10,15,20,28H,2,6-7,11-14,16H2,1H3 | NCI pathway
Reactome pathway
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| 9.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development L.L.C.
Curated by ChEMBL
| Assay Description
Binding affinity to human DAT |
Bioorg Med Chem Lett 18: 39-43 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD |
More data for this
Ligand-Target Pair | |
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