Found 7 hits in this display Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50235121
(CHEMBL4066314)Show SMILES [H][C@@]1(CC[C@@H](Cc2ccc(cc2)C(=O)N2CCN(Cc3ncn(CC(F)(F)F)n3)CC2)N1)[C@H](O)c1ccccc1 |r| Show InChI InChI=1S/C28H33F3N6O2/c29-28(30,31)18-37-19-32-25(34-37)17-35-12-14-36(15-13-35)27(39)22-8-6-20(7-9-22)16-23-10-11-24(33-23)26(38)21-4-2-1-3-5-21/h1-9,19,23-24,26,33,38H,10-18H2/t23-,24+,26+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co. Inc.
Curated by ChEMBL
| Assay Description Inhibition of SERT (unknown origin) |
Bioorg Med Chem Lett 27: 1094-1098 (2017)
Article DOI: 10.1016/j.bmcl.2016.12.033 BindingDB Entry DOI: 10.7270/Q2QC05RV |
More data for this Ligand-Target Pair | |
Beta-2 adrenergic receptor
(Homo sapiens (Human)) | BDBM50235121
(CHEMBL4066314)Show SMILES [H][C@@]1(CC[C@@H](Cc2ccc(cc2)C(=O)N2CCN(Cc3ncn(CC(F)(F)F)n3)CC2)N1)[C@H](O)c1ccccc1 |r| Show InChI InChI=1S/C28H33F3N6O2/c29-28(30,31)18-37-19-32-25(34-37)17-35-12-14-36(15-13-35)27(39)22-8-6-20(7-9-22)16-23-10-11-24(33-23)26(38)21-4-2-1-3-5-21/h1-9,19,23-24,26,33,38H,10-18H2/t23-,24+,26+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co. Inc.
Curated by ChEMBL
| Assay Description Activity at human beta2 adrenergic receptor |
Bioorg Med Chem Lett 27: 1094-1098 (2017)
Article DOI: 10.1016/j.bmcl.2016.12.033 BindingDB Entry DOI: 10.7270/Q2QC05RV |
More data for this Ligand-Target Pair | |
Beta-1 adrenergic receptor
(Homo sapiens (Human)) | BDBM50235121
(CHEMBL4066314)Show SMILES [H][C@@]1(CC[C@@H](Cc2ccc(cc2)C(=O)N2CCN(Cc3ncn(CC(F)(F)F)n3)CC2)N1)[C@H](O)c1ccccc1 |r| Show InChI InChI=1S/C28H33F3N6O2/c29-28(30,31)18-37-19-32-25(34-37)17-35-12-14-36(15-13-35)27(39)22-8-6-20(7-9-22)16-23-10-11-24(33-23)26(38)21-4-2-1-3-5-21/h1-9,19,23-24,26,33,38H,10-18H2/t23-,24+,26+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co. Inc.
Curated by ChEMBL
| Assay Description Activity at human beta1 adrenergic receptor |
Bioorg Med Chem Lett 27: 1094-1098 (2017)
Article DOI: 10.1016/j.bmcl.2016.12.033 BindingDB Entry DOI: 10.7270/Q2QC05RV |
More data for this Ligand-Target Pair | |
Sodium channel protein type 5 subunit alpha
(Homo sapiens (Human)) | BDBM50235121
(CHEMBL4066314)Show SMILES [H][C@@]1(CC[C@@H](Cc2ccc(cc2)C(=O)N2CCN(Cc3ncn(CC(F)(F)F)n3)CC2)N1)[C@H](O)c1ccccc1 |r| Show InChI InChI=1S/C28H33F3N6O2/c29-28(30,31)18-37-19-32-25(34-37)17-35-12-14-36(15-13-35)27(39)22-8-6-20(7-9-22)16-23-10-11-24(33-23)26(38)21-4-2-1-3-5-21/h1-9,19,23-24,26,33,38H,10-18H2/t23-,24+,26+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co. Inc.
Curated by ChEMBL
| Assay Description Inhibition of human Nav1.5 by electrophysiology method |
Bioorg Med Chem Lett 27: 1094-1098 (2017)
Article DOI: 10.1016/j.bmcl.2016.12.033 BindingDB Entry DOI: 10.7270/Q2QC05RV |
More data for this Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50235121
(CHEMBL4066314)Show SMILES [H][C@@]1(CC[C@@H](Cc2ccc(cc2)C(=O)N2CCN(Cc3ncn(CC(F)(F)F)n3)CC2)N1)[C@H](O)c1ccccc1 |r| Show InChI InChI=1S/C28H33F3N6O2/c29-28(30,31)18-37-19-32-25(34-37)17-35-12-14-36(15-13-35)27(39)22-8-6-20(7-9-22)16-23-10-11-24(33-23)26(38)21-4-2-1-3-5-21/h1-9,19,23-24,26,33,38H,10-18H2/t23-,24+,26+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >6.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co. Inc.
Curated by ChEMBL
| Assay Description Inhibition of human ERG |
Bioorg Med Chem Lett 27: 1094-1098 (2017)
Article DOI: 10.1016/j.bmcl.2016.12.033 BindingDB Entry DOI: 10.7270/Q2QC05RV |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50235121
(CHEMBL4066314)Show SMILES [H][C@@]1(CC[C@@H](Cc2ccc(cc2)C(=O)N2CCN(Cc3ncn(CC(F)(F)F)n3)CC2)N1)[C@H](O)c1ccccc1 |r| Show InChI InChI=1S/C28H33F3N6O2/c29-28(30,31)18-37-19-32-25(34-37)17-35-12-14-36(15-13-35)27(39)22-8-6-20(7-9-22)16-23-10-11-24(33-23)26(38)21-4-2-1-3-5-21/h1-9,19,23-24,26,33,38H,10-18H2/t23-,24+,26+/m0/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 65 | n/a | n/a | n/a | n/a |
Merck& Co. Inc.
Curated by ChEMBL
| Assay Description Inhibition constant against Alpha-Fucosidase; Uncompetitive inhibition |
Bioorg Med Chem Lett 27: 1094-1098 (2017)
Article DOI: 10.1016/j.bmcl.2016.12.033 BindingDB Entry DOI: 10.7270/Q2QC05RV |
More data for this Ligand-Target Pair | |
Beta-3 adrenergic receptor
(Homo sapiens (Human)) | BDBM50235121
(CHEMBL4066314)Show SMILES [H][C@@]1(CC[C@@H](Cc2ccc(cc2)C(=O)N2CCN(Cc3ncn(CC(F)(F)F)n3)CC2)N1)[C@H](O)c1ccccc1 |r| Show InChI InChI=1S/C28H33F3N6O2/c29-28(30,31)18-37-19-32-25(34-37)17-35-12-14-36(15-13-35)27(39)22-8-6-20(7-9-22)16-23-10-11-24(33-23)26(38)21-4-2-1-3-5-21/h1-9,19,23-24,26,33,38H,10-18H2/t23-,24+,26+/m0/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 1.60 | n/a | n/a | n/a | n/a |
Merck& Co. Inc.
Curated by ChEMBL
| Assay Description Agonist activity at human beta3 adrenergic receptor |
Bioorg Med Chem Lett 27: 1094-1098 (2017)
Article DOI: 10.1016/j.bmcl.2016.12.033 BindingDB Entry DOI: 10.7270/Q2QC05RV |
More data for this Ligand-Target Pair | |