Found 12 hits for monomerid = 50198593 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50198593
(7-(3-(4-fluoropiperidin-1-yl)propoxy)-4-(4-methoxy...)Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCC(F)CC3)ccc12 |w:8.8| Show InChI InChI=1S/C25H33FN2O2/c1-27-17-20-16-23(30-15-3-12-28-13-10-21(26)11-14-28)8-9-24(20)25(18-27)19-4-6-22(29-2)7-5-19/h4-9,16,21,25H,3,10-15,17-18H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description Binding affinity at rat SERT |
Bioorg Med Chem Lett 17: 1047-51 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.036 BindingDB Entry DOI: 10.7270/Q2VM4BXB |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50198593
(7-(3-(4-fluoropiperidin-1-yl)propoxy)-4-(4-methoxy...)Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCC(F)CC3)ccc12 |w:8.8| Show InChI InChI=1S/C25H33FN2O2/c1-27-17-20-16-23(30-15-3-12-28-13-10-21(26)11-14-28)8-9-24(20)25(18-27)19-4-6-22(29-2)7-5-19/h4-9,16,21,25H,3,10-15,17-18H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development LLC
Curated by ChEMBL
| Assay Description Binding affinity to rat SERT |
Bioorg Med Chem Lett 17: 702-6 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.089 BindingDB Entry DOI: 10.7270/Q23B5ZSS |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50198593
(7-(3-(4-fluoropiperidin-1-yl)propoxy)-4-(4-methoxy...)Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCC(F)CC3)ccc12 |w:8.8| Show InChI InChI=1S/C25H33FN2O2/c1-27-17-20-16-23(30-15-3-12-28-13-10-21(26)11-14-28)8-9-24(20)25(18-27)19-4-6-22(29-2)7-5-19/h4-9,16,21,25H,3,10-15,17-18H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description Binding affinity at rat SERT |
Bioorg Med Chem Lett 17: 1047-51 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.036 BindingDB Entry DOI: 10.7270/Q2VM4BXB |
More data for this Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50198593
(7-(3-(4-fluoropiperidin-1-yl)propoxy)-4-(4-methoxy...)Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCC(F)CC3)ccc12 |w:8.8| Show InChI InChI=1S/C25H33FN2O2/c1-27-17-20-16-23(30-15-3-12-28-13-10-21(26)11-14-28)8-9-24(20)25(18-27)19-4-6-22(29-2)7-5-19/h4-9,16,21,25H,3,10-15,17-18H2,1-2H3 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description Binding affinity at human histamine H3 receptor |
Bioorg Med Chem Lett 17: 1047-51 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.036 BindingDB Entry DOI: 10.7270/Q2VM4BXB |
More data for this Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50198593
(7-(3-(4-fluoropiperidin-1-yl)propoxy)-4-(4-methoxy...)Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCC(F)CC3)ccc12 |w:8.8| Show InChI InChI=1S/C25H33FN2O2/c1-27-17-20-16-23(30-15-3-12-28-13-10-21(26)11-14-28)8-9-24(20)25(18-27)19-4-6-22(29-2)7-5-19/h4-9,16,21,25H,3,10-15,17-18H2,1-2H3 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development LLC
Curated by ChEMBL
| Assay Description Binding affinity to human histamine H3 receptor |
Bioorg Med Chem Lett 17: 702-6 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.089 BindingDB Entry DOI: 10.7270/Q23B5ZSS |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50198593
(7-(3-(4-fluoropiperidin-1-yl)propoxy)-4-(4-methoxy...)Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCC(F)CC3)ccc12 |w:8.8| Show InChI InChI=1S/C25H33FN2O2/c1-27-17-20-16-23(30-15-3-12-28-13-10-21(26)11-14-28)8-9-24(20)25(18-27)19-4-6-22(29-2)7-5-19/h4-9,16,21,25H,3,10-15,17-18H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 2.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description Binding affinity at human SERT |
Bioorg Med Chem Lett 17: 1047-51 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.036 BindingDB Entry DOI: 10.7270/Q2VM4BXB |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50198593
(7-(3-(4-fluoropiperidin-1-yl)propoxy)-4-(4-methoxy...)Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCC(F)CC3)ccc12 |w:8.8| Show InChI InChI=1S/C25H33FN2O2/c1-27-17-20-16-23(30-15-3-12-28-13-10-21(26)11-14-28)8-9-24(20)25(18-27)19-4-6-22(29-2)7-5-19/h4-9,16,21,25H,3,10-15,17-18H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 2.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development LLC
Curated by ChEMBL
| Assay Description Binding affinity to human SERT |
Bioorg Med Chem Lett 17: 702-6 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.089 BindingDB Entry DOI: 10.7270/Q23B5ZSS |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50198593
(7-(3-(4-fluoropiperidin-1-yl)propoxy)-4-(4-methoxy...)Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCC(F)CC3)ccc12 |w:8.8| Show InChI InChI=1S/C25H33FN2O2/c1-27-17-20-16-23(30-15-3-12-28-13-10-21(26)11-14-28)8-9-24(20)25(18-27)19-4-6-22(29-2)7-5-19/h4-9,16,21,25H,3,10-15,17-18H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 2.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description Binding affinity at human SERT |
Bioorg Med Chem Lett 17: 1047-51 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.036 BindingDB Entry DOI: 10.7270/Q2VM4BXB |
More data for this Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50198593
(7-(3-(4-fluoropiperidin-1-yl)propoxy)-4-(4-methoxy...)Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCC(F)CC3)ccc12 |w:8.8| Show InChI InChI=1S/C25H33FN2O2/c1-27-17-20-16-23(30-15-3-12-28-13-10-21(26)11-14-28)8-9-24(20)25(18-27)19-4-6-22(29-2)7-5-19/h4-9,16,21,25H,3,10-15,17-18H2,1-2H3 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 3.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description Binding affinity at human histamine H3 receptor |
Bioorg Med Chem Lett 17: 1047-51 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.036 BindingDB Entry DOI: 10.7270/Q2VM4BXB |
More data for this Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50198593
(7-(3-(4-fluoropiperidin-1-yl)propoxy)-4-(4-methoxy...)Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCC(F)CC3)ccc12 |w:8.8| Show InChI InChI=1S/C25H33FN2O2/c1-27-17-20-16-23(30-15-3-12-28-13-10-21(26)11-14-28)8-9-24(20)25(18-27)19-4-6-22(29-2)7-5-19/h4-9,16,21,25H,3,10-15,17-18H2,1-2H3 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description Binding affinity at human histamine H3 receptor |
Bioorg Med Chem Lett 17: 1047-51 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.036 BindingDB Entry DOI: 10.7270/Q2VM4BXB |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Rattus norvegicus (rat)) | BDBM50198593
(7-(3-(4-fluoropiperidin-1-yl)propoxy)-4-(4-methoxy...)Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCC(F)CC3)ccc12 |w:8.8| Show InChI InChI=1S/C25H33FN2O2/c1-27-17-20-16-23(30-15-3-12-28-13-10-21(26)11-14-28)8-9-24(20)25(18-27)19-4-6-22(29-2)7-5-19/h4-9,16,21,25H,3,10-15,17-18H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 4.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description Binding affinity at rat SERT |
Bioorg Med Chem Lett 17: 1047-51 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.036 BindingDB Entry DOI: 10.7270/Q2VM4BXB |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50198593
(7-(3-(4-fluoropiperidin-1-yl)propoxy)-4-(4-methoxy...)Show SMILES COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCC(F)CC3)ccc12 |w:8.8| Show InChI InChI=1S/C25H33FN2O2/c1-27-17-20-16-23(30-15-3-12-28-13-10-21(26)11-14-28)8-9-24(20)25(18-27)19-4-6-22(29-2)7-5-19/h4-9,16,21,25H,3,10-15,17-18H2,1-2H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 9.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C.
Curated by ChEMBL
| Assay Description Binding affinity at human SERT |
Bioorg Med Chem Lett 17: 1047-51 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.036 BindingDB Entry DOI: 10.7270/Q2VM4BXB |
More data for this Ligand-Target Pair | |