Found 13 hits for monomerid = 50312771 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 noradrenaline transporter
(Homo sapiens (Human)) | BDBM50312771
((S)-(4-(1H-indole-6-carbonyl)-3-methylpiperazin-1-...)Show SMILES COc1cccc(c1)-c1ccc(cc1)C(=O)N1CCN([C@@H](C)C1)C(=O)c1ccc2cc[nH]c2c1 |r| Show InChI InChI=1S/C28H27N3O3/c1-19-18-30(14-15-31(19)28(33)24-11-8-21-12-13-29-26(21)17-24)27(32)22-9-6-20(7-10-22)23-4-3-5-25(16-23)34-2/h3-13,16-17,19,29H,14-15,18H2,1-2H3/t19-/m0/s1 | Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Inhibition of NET |
Bioorg Med Chem Lett 20: 1758-62 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.043 BindingDB Entry DOI: 10.7270/Q2WM1DJD |
More data for this Ligand-Target Pair | |
Histamine H2 Receptor
(Homo sapiens (Human)) | BDBM50312771
((S)-(4-(1H-indole-6-carbonyl)-3-methylpiperazin-1-...)Show SMILES COc1cccc(c1)-c1ccc(cc1)C(=O)N1CCN([C@@H](C)C1)C(=O)c1ccc2cc[nH]c2c1 |r| Show InChI InChI=1S/C28H27N3O3/c1-19-18-30(14-15-31(19)28(33)24-11-8-21-12-13-29-26(21)17-24)27(32)22-9-6-20(7-10-22)23-4-3-5-25(16-23)34-2/h3-13,16-17,19,29H,14-15,18H2,1-2H3/t19-/m0/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Inhibition of histamine H2 receptor |
Bioorg Med Chem Lett 20: 1758-62 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.043 BindingDB Entry DOI: 10.7270/Q2WM1DJD |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50312771
((S)-(4-(1H-indole-6-carbonyl)-3-methylpiperazin-1-...)Show SMILES COc1cccc(c1)-c1ccc(cc1)C(=O)N1CCN([C@@H](C)C1)C(=O)c1ccc2cc[nH]c2c1 |r| Show InChI InChI=1S/C28H27N3O3/c1-19-18-30(14-15-31(19)28(33)24-11-8-21-12-13-29-26(21)17-24)27(32)22-9-6-20(7-10-22)23-4-3-5-25(16-23)34-2/h3-13,16-17,19,29H,14-15,18H2,1-2H3/t19-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Inhibition of SERT |
Bioorg Med Chem Lett 20: 1758-62 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.043 BindingDB Entry DOI: 10.7270/Q2WM1DJD |
More data for this Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50312771
((S)-(4-(1H-indole-6-carbonyl)-3-methylpiperazin-1-...)Show SMILES COc1cccc(c1)-c1ccc(cc1)C(=O)N1CCN([C@@H](C)C1)C(=O)c1ccc2cc[nH]c2c1 |r| Show InChI InChI=1S/C28H27N3O3/c1-19-18-30(14-15-31(19)28(33)24-11-8-21-12-13-29-26(21)17-24)27(32)22-9-6-20(7-10-22)23-4-3-5-25(16-23)34-2/h3-13,16-17,19,29H,14-15,18H2,1-2H3/t19-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Inhibition of dopamine D3 rceptor |
Bioorg Med Chem Lett 20: 1758-62 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.043 BindingDB Entry DOI: 10.7270/Q2WM1DJD |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50312771
((S)-(4-(1H-indole-6-carbonyl)-3-methylpiperazin-1-...)Show SMILES COc1cccc(c1)-c1ccc(cc1)C(=O)N1CCN([C@@H](C)C1)C(=O)c1ccc2cc[nH]c2c1 |r| Show InChI InChI=1S/C28H27N3O3/c1-19-18-30(14-15-31(19)28(33)24-11-8-21-12-13-29-26(21)17-24)27(32)22-9-6-20(7-10-22)23-4-3-5-25(16-23)34-2/h3-13,16-17,19,29H,14-15,18H2,1-2H3/t19-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Inhibition of 5HT2A (receptor) |
Bioorg Med Chem Lett 20: 1758-62 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.043 BindingDB Entry DOI: 10.7270/Q2WM1DJD |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 2C
(Homo sapiens (Human)) | BDBM50312771
((S)-(4-(1H-indole-6-carbonyl)-3-methylpiperazin-1-...)Show SMILES COc1cccc(c1)-c1ccc(cc1)C(=O)N1CCN([C@@H](C)C1)C(=O)c1ccc2cc[nH]c2c1 |r| Show InChI InChI=1S/C28H27N3O3/c1-19-18-30(14-15-31(19)28(33)24-11-8-21-12-13-29-26(21)17-24)27(32)22-9-6-20(7-10-22)23-4-3-5-25(16-23)34-2/h3-13,16-17,19,29H,14-15,18H2,1-2H3/t19-/m0/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Inhibition of 5HT2C (receptor) |
Bioorg Med Chem Lett 20: 1758-62 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.043 BindingDB Entry DOI: 10.7270/Q2WM1DJD |
More data for this Ligand-Target Pair | |
Muscarinic acetylcholine receptor M3
(Homo sapiens (Human)) | BDBM50312771
((S)-(4-(1H-indole-6-carbonyl)-3-methylpiperazin-1-...)Show SMILES COc1cccc(c1)-c1ccc(cc1)C(=O)N1CCN([C@@H](C)C1)C(=O)c1ccc2cc[nH]c2c1 |r| Show InChI InChI=1S/C28H27N3O3/c1-19-18-30(14-15-31(19)28(33)24-11-8-21-12-13-29-26(21)17-24)27(32)22-9-6-20(7-10-22)23-4-3-5-25(16-23)34-2/h3-13,16-17,19,29H,14-15,18H2,1-2H3/t19-/m0/s1 | Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Inhibition of muscarinic M3 receptor |
Bioorg Med Chem Lett 20: 1758-62 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.043 BindingDB Entry DOI: 10.7270/Q2WM1DJD |
More data for this Ligand-Target Pair | |
Alpha-2A adrenergic receptor
(Homo sapiens (Human)) | BDBM50312771
((S)-(4-(1H-indole-6-carbonyl)-3-methylpiperazin-1-...)Show SMILES COc1cccc(c1)-c1ccc(cc1)C(=O)N1CCN([C@@H](C)C1)C(=O)c1ccc2cc[nH]c2c1 |r| Show InChI InChI=1S/C28H27N3O3/c1-19-18-30(14-15-31(19)28(33)24-11-8-21-12-13-29-26(21)17-24)27(32)22-9-6-20(7-10-22)23-4-3-5-25(16-23)34-2/h3-13,16-17,19,29H,14-15,18H2,1-2H3/t19-/m0/s1 | UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Inhibition of alpha2A adrenergic receptor |
Bioorg Med Chem Lett 20: 1758-62 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.043 BindingDB Entry DOI: 10.7270/Q2WM1DJD |
More data for this Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50312771
((S)-(4-(1H-indole-6-carbonyl)-3-methylpiperazin-1-...)Show SMILES COc1cccc(c1)-c1ccc(cc1)C(=O)N1CCN([C@@H](C)C1)C(=O)c1ccc2cc[nH]c2c1 |r| Show InChI InChI=1S/C28H27N3O3/c1-19-18-30(14-15-31(19)28(33)24-11-8-21-12-13-29-26(21)17-24)27(32)22-9-6-20(7-10-22)23-4-3-5-25(16-23)34-2/h3-13,16-17,19,29H,14-15,18H2,1-2H3/t19-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Inhibition of dopamine D2 rceptor |
Bioorg Med Chem Lett 20: 1758-62 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.043 BindingDB Entry DOI: 10.7270/Q2WM1DJD |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50312771
((S)-(4-(1H-indole-6-carbonyl)-3-methylpiperazin-1-...)Show SMILES COc1cccc(c1)-c1ccc(cc1)C(=O)N1CCN([C@@H](C)C1)C(=O)c1ccc2cc[nH]c2c1 |r| Show InChI InChI=1S/C28H27N3O3/c1-19-18-30(14-15-31(19)28(33)24-11-8-21-12-13-29-26(21)17-24)27(32)22-9-6-20(7-10-22)23-4-3-5-25(16-23)34-2/h3-13,16-17,19,29H,14-15,18H2,1-2H3/t19-/m0/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Inhibition of DAT |
Bioorg Med Chem Lett 20: 1758-62 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.043 BindingDB Entry DOI: 10.7270/Q2WM1DJD |
More data for this Ligand-Target Pair | |
Mu-type opioid receptor
(Homo sapiens (Human)) | BDBM50312771
((S)-(4-(1H-indole-6-carbonyl)-3-methylpiperazin-1-...)Show SMILES COc1cccc(c1)-c1ccc(cc1)C(=O)N1CCN([C@@H](C)C1)C(=O)c1ccc2cc[nH]c2c1 |r| Show InChI InChI=1S/C28H27N3O3/c1-19-18-30(14-15-31(19)28(33)24-11-8-21-12-13-29-26(21)17-24)27(32)22-9-6-20(7-10-22)23-4-3-5-25(16-23)34-2/h3-13,16-17,19,29H,14-15,18H2,1-2H3/t19-/m0/s1 | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Inhibition of mu opioid receptor |
Bioorg Med Chem Lett 20: 1758-62 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.043 BindingDB Entry DOI: 10.7270/Q2WM1DJD |
More data for this Ligand-Target Pair | |
Kappa-type opioid receptor
(Homo sapiens (Human)) | BDBM50312771
((S)-(4-(1H-indole-6-carbonyl)-3-methylpiperazin-1-...)Show SMILES COc1cccc(c1)-c1ccc(cc1)C(=O)N1CCN([C@@H](C)C1)C(=O)c1ccc2cc[nH]c2c1 |r| Show InChI InChI=1S/C28H27N3O3/c1-19-18-30(14-15-31(19)28(33)24-11-8-21-12-13-29-26(21)17-24)27(32)22-9-6-20(7-10-22)23-4-3-5-25(16-23)34-2/h3-13,16-17,19,29H,14-15,18H2,1-2H3/t19-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Inhibition of kappa opioid receptor |
Bioorg Med Chem Lett 20: 1758-62 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.043 BindingDB Entry DOI: 10.7270/Q2WM1DJD |
More data for this Ligand-Target Pair | |
Ghrelin receptor
(Homo sapiens (Human)) | BDBM50312771
((S)-(4-(1H-indole-6-carbonyl)-3-methylpiperazin-1-...)Show SMILES COc1cccc(c1)-c1ccc(cc1)C(=O)N1CCN([C@@H](C)C1)C(=O)c1ccc2cc[nH]c2c1 |r| Show InChI InChI=1S/C28H27N3O3/c1-19-18-30(14-15-31(19)28(33)24-11-8-21-12-13-29-26(21)17-24)27(32)22-9-6-20(7-10-22)23-4-3-5-25(16-23)34-2/h3-13,16-17,19,29H,14-15,18H2,1-2H3/t19-/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description Antagonist activity at human GHSR expressed in CHOK1 cells assessed as inhibition of ghrelin-induced intracellular calcium flux by aequorin flash lum... |
Bioorg Med Chem Lett 20: 1758-62 (2010)
Article DOI: 10.1016/j.bmcl.2010.01.043 BindingDB Entry DOI: 10.7270/Q2WM1DJD |
More data for this Ligand-Target Pair | |