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)) | BDBM22416 ((3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-f...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | DrugBank PDB PubMed | n/a | n/a | n/a | 0.130 | n/a | n/a | n/a | n/a | n/a |
Hong Kong University of Science and Technology Curated by ChEMBL | Assay Description Equilibrium dissociation constant (KD) for Competitive binding between [3H]- imipramine and the compound at human transporter-hSERT | Bioorg Med Chem Lett 8: 487-92 (1999) BindingDB Entry DOI: 10.7270/Q2F76D26 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Sodium-dependent serotonin transporter (Rattus norvegicus (rat)) | BDBM22416 ((3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-f...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | PDB PubMed | n/a | n/a | n/a | 0.150 | n/a | n/a | n/a | n/a | n/a |
Wake Forest University Curated by ChEMBL | Assay Description The potency of the [3H]paroxetine for 5-HT transporters | J Med Chem 37: 1262-8 (1994) BindingDB Entry DOI: 10.7270/Q2TH8NBM | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Sodium-dependent noradrenaline transporter (Homo sapiens (Human)) | BDBM22416 ((3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-f...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | DrugBank PubMed | n/a | n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a |
Hong Kong University of Science and Technology Curated by ChEMBL | Assay Description Equilibrium dissociation constant (KD) for Competitive binding between [3H]- nisoxatine and the compound at human Norepinephrine transporter | Bioorg Med Chem Lett 8: 487-92 (1999) BindingDB Entry DOI: 10.7270/Q2F76D26 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent dopamine transporter (Homo sapiens (Human)) | BDBM22416 ((3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-f...) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | PubMed | n/a | n/a | n/a | 490 | n/a | n/a | n/a | n/a | n/a |
Hong Kong University of Science and Technology Curated by ChEMBL | Assay Description Equilibrium dissociation constant (KD) for Competitive binding between [3H]WIN-35428 and the compound at human transporter-hDAT | Bioorg Med Chem Lett 8: 487-92 (1999) BindingDB Entry DOI: 10.7270/Q2F76D26 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-adrenergic receptor kinase 1 (Homo sapiens (Human)) | BDBM22416 ((3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-f...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | n/a | 2.98E+3 | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Binding affinity to full length human GRK2 by Thermofluor thermal shift assay | Citation and Details Article DOI: 10.1016/j.bmcl.2020.127602 BindingDB Entry DOI: 10.7270/Q2H135PS | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
5-hydroxytryptamine receptor 1A (Homo sapiens (Human)) | BDBM22416 ((3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-f...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | 3.00E+4 | n/a | n/a | n/a | n/a | n/a |
University of California Curated by ChEMBL | Assay Description Binding affinity to 5HT1A receptor | J Med Chem 52: 6107-25 (2009) Article DOI: 10.1021/jm901096y BindingDB Entry DOI: 10.7270/Q2J67HVQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Envelope glycoprotein (Zaire ebolavirus (strain Mayinga-76) (ZEBOV) (Zair...) | BDBM22416 ((3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-f...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | n/a | 6.50E+5 | n/a | n/a | n/a | n/a | n/a |
University of Oxford Curated by ChEMBL | Assay Description Binding affinity to Ebola virus Zaire Mayinga-76 recombinant GP protein by SYPRO orange dye-based fluorescence assay | J Med Chem 61: 724-733 (2018) Article DOI: 10.1021/acs.jmedchem.7b01249 BindingDB Entry DOI: 10.7270/Q2C24ZV1 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |