null
SMILES: Fc1ccc(cc1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1
InChI Key: InChIKey=AHOUBRCZNHFOSL-YOEHRIQHSA-N
PDB links: 10 PDB IDs match this monomer.
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)) | 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 Article PubMed | n/a | n/a | 6.43 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Park Curated by ChEMBL | Assay Description Inhibition of uptake of [3H]-5-HT in synaptosomes from rat cortex | J Med Chem 40: 1049-62 (1997) Article DOI: 10.1021/jm960723m BindingDB Entry DOI: 10.7270/Q2CF9P6W | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
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 | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01511 BindingDB Entry DOI: 10.7270/Q22Z19M2 | ||||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Rhodopsin kinase GRK1 (Homo sapiens (Human)) | BDBM22416 ((3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-f...) | PDB NCI pathway Reactome pathway KEGG 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 | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Temple University Curated by ChEMBL | Assay Description Inhibition of GRK1 (unknown origin) using tubulin as substrate by SDS-PAGE method | J Med Chem 59: 3793-807 (2016) Article DOI: 10.1021/acs.jmedchem.5b02000 BindingDB Entry DOI: 10.7270/Q2JQ12X4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Quinolone resistance protein NorA (Staphylococcus aureus) | 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 | Article PubMed | n/a | n/a | 7.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universita` degli Studi di Perugia Curated by ChEMBL | Assay Description Inhibition of NorA in Staphylococcus aureus 1199B assessed as inhibition of ethidium bromide efflux dose response curve based fluorometric assay | J Med Chem 54: 5722-36 (2011) Article DOI: 10.1021/jm200370y BindingDB Entry DOI: 10.7270/Q2NS0V8C | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
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 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 | |||||||||||||
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 dopamine transporter (Rattus norvegicus (rat)) | BDBM22416 ((3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-f...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 623 | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute Curated by ChEMBL | Assay Description Displacement of [3H]WIN-35428(0.5 nM) from Dopamine transporter | J Med Chem 41: 247-57 (1998) Article DOI: 10.1021/jm970669p BindingDB Entry DOI: 10.7270/Q2P55P6D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
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 Article PubMed | n/a | n/a | 0.280 | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute Curated by ChEMBL | Assay Description Inhibition of [3H]paroxetine (0.2 nM) binding to 5-HT transporter | J Med Chem 41: 247-57 (1998) Article DOI: 10.1021/jm970669p BindingDB Entry DOI: 10.7270/Q2P55P6D | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Transporter (Rattus norvegicus) | BDBM22416 ((3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-f...) | Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 535 | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute Curated by ChEMBL | Assay Description Inhibition of [3H]nisoxetine (0.5 nM) binding to Noradrenaline transporter | J Med Chem 41: 247-57 (1998) Article DOI: 10.1021/jm970669p BindingDB Entry DOI: 10.7270/Q2P55P6D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent dopamine transporter (Rattus norvegicus (rat)) | BDBM22416 ((3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-f...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
FAES FARMA S A Curated by ChEMBL | Assay Description Binding affinity against dopamine transporter (DAT) by displacement of [3H]WIN-35428 in male wistar rats | J Med Chem 46: 5512-32 (2003) Article DOI: 10.1021/jm0309349 BindingDB Entry DOI: 10.7270/Q2QF8TMN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 1A (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 | Article PubMed | n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
FAES FARMA S A Curated by ChEMBL | Assay Description Binding affinity against 5-hydroxytryptamine 1A receptor (5-HT1A) by displacement of [3H]8-OH-DPAT from rat hippocampus membranes | J Med Chem 46: 5512-32 (2003) Article DOI: 10.1021/jm0309349 BindingDB Entry DOI: 10.7270/Q2QF8TMN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat)) | BDBM22416 ((3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-f...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
FAES FARMA S A Curated by ChEMBL | Assay Description Binding affinity against 5-hydroxytryptamine 2A receptor by displacement of [3H]-ketanserin from rat prefrontal cerebral cortex mambranes | J Med Chem 46: 5512-32 (2003) Article DOI: 10.1021/jm0309349 BindingDB Entry DOI: 10.7270/Q2QF8TMN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
P2X purinoceptor 4 (Homo sapiens (Human)) | BDBM22416 ((3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-f...) | KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 4.68E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn Curated by ChEMBL | Assay Description Antagonist activity at human P2X4 receptor expressed in human 1321N1 cells assessed as inhibition of ATP-induced cytosolic calcium influx preincubate... | Bioorg Med Chem 22: 1077-88 (2014) Article DOI: 10.1016/j.bmc.2013.12.035 BindingDB Entry DOI: 10.7270/Q21R6S09 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
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 Article PubMed | n/a | n/a | 0.560 | n/a | n/a | n/a | n/a | n/a | n/a |
Sumitomo Dainippon Pharma Co., Ltd. Curated by ChEMBL | Assay Description Inhibition of human SERT expressed in CHO cell membranes assessed as reduction in [3H]serotonin uptake preincubated for 10 mins followed by [3H]serot... | Bioorg Med Chem 25: 293-304 (2017) Article DOI: 10.1016/j.bmc.2016.10.034 BindingDB Entry DOI: 10.7270/Q2571F0B | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Substance-P receptor (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 | Article PubMed | n/a | n/a | 900 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company Curated by ChEMBL | Assay Description Displacement of [125I]substance P from human recombinant NK1 receptor expressed in human U373 cells after 1 hr by scintillation counting analysis | Bioorg Med Chem 21: 2217-28 (2013) Article DOI: 10.1016/j.bmc.2013.02.010 BindingDB Entry DOI: 10.7270/Q2M90B1W | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
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 Article PubMed | n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company Curated by ChEMBL | Assay Description Displacement of [125I]RTI-55 from human recombinant SERT expressed in HEK293 cells after 1 hr by scintillation counting analysis | Bioorg Med Chem 21: 2217-28 (2013) Article DOI: 10.1016/j.bmc.2013.02.010 BindingDB Entry DOI: 10.7270/Q2M90B1W | |||||||||||
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 | |||||||||||||
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 Article PubMed | n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research Curated by ChEMBL | Assay Description Inhibition of norepinephrine uptake at human NET expressed in MDCK cells | Bioorg Med Chem Lett 18: 4929-31 (2008) Article DOI: 10.1016/j.bmcl.2008.08.060 BindingDB Entry DOI: 10.7270/Q2S183C9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
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 Article PubMed | n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research Curated by ChEMBL | Assay Description Inhibition of serotonin uptake at human SERT expressed in JAR cells | Bioorg Med Chem Lett 18: 4929-31 (2008) Article DOI: 10.1016/j.bmcl.2008.08.060 BindingDB Entry DOI: 10.7270/Q2S183C9 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
P2X purinoceptor 4 (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 | Article PubMed | n/a | n/a | 2.45E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn Curated by ChEMBL | Assay Description Antagonist activity at rat P2X4 receptor by cell-based calcium influx assay | J Med Chem 55: 9576-88 (2012) Article DOI: 10.1021/jm300845v BindingDB Entry DOI: 10.7270/Q2XK8GPN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
P2X purinoceptor 4 (Homo sapiens (Human)) | BDBM22416 ((3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-f...) | KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 1.87E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bonn Curated by ChEMBL | Assay Description Antagonist activity at human P2X4 receptor expressed in 1321N1 cells assessed as inhibition of ATP-induced cytosolic calcium influx compound preincub... | J Med Chem 55: 9576-88 (2012) Article DOI: 10.1021/jm300845v BindingDB Entry DOI: 10.7270/Q2XK8GPN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Myeloperoxidase (Homo sapiens (Human)) | BDBM22416 ((3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-f...) | PDB MMDB 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 | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Libre de Bruxelles Curated by ChEMBL | Assay Description Inhibition of recombinant MPO (unknown origin) assessed as reduction in taurine chloramine production preincubated with enzyme and taurine followed b... | J Med Chem 60: 6563-6586 (2017) Article DOI: 10.1021/acs.jmedchem.7b00285 BindingDB Entry DOI: 10.7270/Q27D2XD7 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
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) | ||||||||||||
Potassium voltage-gated channel subfamily H member 2 (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 | US Patent | n/a | n/a | 5.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute | Assay Description HERG: The pre- and post-compound hERG current was evoked by a single voltage pulse consisting of a 20 s period holding at −70 mV, a 160 ms step... | Bioorg Med Chem Lett 19: 1164-7 (2009) BindingDB Entry DOI: 10.7270/Q26D5WBR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 3A4 (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 | US Patent | n/a | n/a | 2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute | Assay Description Cytochrome P450 3A4 and 2D6:Recombinant enzymes, 3A4 and 2D6, generated using the ABL yeast expression system were used. For CYP3A4, the enzyme amou... | Bioorg Med Chem Lett 19: 1164-7 (2009) BindingDB Entry DOI: 10.7270/Q26D5WBR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2D6 (Homo sapiens (Human)) | 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 | US Patent | n/a | n/a | 3.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute | Assay Description Cytochrome P450 3A4 and 2D6:Recombinant enzymes, 3A4 and 2D6, generated using the ABL yeast expression system were used. For CYP3A4, the enzyme amou... | Bioorg Med Chem Lett 19: 1164-7 (2009) BindingDB Entry DOI: 10.7270/Q26D5WBR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
P2X purinoceptor 4 (Homo sapiens (Human)) | BDBM22416 ((3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-f...) | KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | US Patent | n/a | n/a | 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universita del Piemonte Orientale | Assay Description The P2X4 receptor antagonist activity of the compounds of the present invention was measured as follows. The 1321N1 cells stably expressing human P2X... | J Med Chem 52: 3001-9 (2009) BindingDB Entry DOI: 10.7270/Q2542QX3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Rhodopsin kinase GRK1 (Bos taurus) | 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 | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Department of Medicinal Chemistry, College of Pharmacy,?Departments of Pharmacology and Biological Chemistry, Life Sciences Institute,§Ph.D. Program in Chemical Biology,?Vahlteich Medicinal Chemistry Curated by ChEMBL | Assay Description Inhibition of bovine GRK1 (1 to 535 residues) after 5 mins after 5 mins in presence of ATP by phosphorimaging assay | J Med Chem 60: 3052-3069 (2017) Article DOI: 10.1021/acs.jmedchem.7b00112 BindingDB Entry DOI: 10.7270/Q2M047XQ | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
G protein-coupled receptor kinase 5 (Bos taurus) | 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 | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Department of Medicinal Chemistry, College of Pharmacy,?Departments of Pharmacology and Biological Chemistry, Life Sciences Institute,§Ph.D. Program in Chemical Biology,?Vahlteich Medicinal Chemistry Curated by ChEMBL | Assay Description Inhibition of bovine GRK5 after 5 mins after 5 mins in presence of ATP by phosphorimaging assay | J Med Chem 60: 3052-3069 (2017) Article DOI: 10.1021/acs.jmedchem.7b00112 BindingDB Entry DOI: 10.7270/Q2M047XQ | |||||||||||
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 | 1.38E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Department of Medicinal Chemistry, College of Pharmacy,?Departments of Pharmacology and Biological Chemistry, Life Sciences Institute,§Ph.D. Program in Chemical Biology,?Vahlteich Medicinal Chemistry Curated by ChEMBL | Assay Description Binding affinity of compound towards dopamine transporter determined using [3H]WIN-35 428 as radioligand | J Med Chem 60: 3052-3069 (2017) Article DOI: 10.1021/acs.jmedchem.7b00112 BindingDB Entry DOI: 10.7270/Q2M047XQ | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Voltage-dependent L-type calcium channel subunit alpha-1C/alpha-1D/alpha-1F/alpha-1S (Homo sapiens (Human)) | BDBM22416 ((3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-f...) | PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 3.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
ChanTest Corporation Curated by ChEMBL | Assay Description Inhibition of Cav1.2 current measured using QPatch automatic path clamp system in CHO cells expressing Cav1.2, beta-2 and alpha-2/delta-1 subunits | Sci Rep 3: (2013) Article DOI: 10.1038/srep02100 BindingDB Entry DOI: 10.7270/Q2RB77K2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-adrenergic receptor kinase 1 (Bos taurus) | 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 | 1.38E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Department of Medicinal Chemistry, College of Pharmacy,?Departments of Pharmacology and Biological Chemistry, Life Sciences Institute,§Ph.D. Program in Chemical Biology,?Vahlteich Medicinal Chemistry Curated by ChEMBL | Assay Description Inhibition of bovine GRK2 S670A mutant after 5 mins in presence of ATP by phosphorimaging assay | J Med Chem 60: 3052-3069 (2017) Article DOI: 10.1021/acs.jmedchem.7b00112 BindingDB Entry DOI: 10.7270/Q2M047XQ | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
ATP-dependent translocase ABCB1 (Homo sapiens (Human)) | BDBM22416 ((3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-f...) | PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 2.98E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Heidelberg Curated by ChEMBL | Assay Description TP_TRANSPORTER: cell accumulation of calcein in L-MDR1 cells | J Pharmacol Exp Ther 305: 197-204 (2003) Article DOI: 10.1124/jpet.102.046532 BindingDB Entry DOI: 10.7270/Q2445QCR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
P2X purinoceptor 4 (Homo sapiens (Human)) | BDBM22416 ((3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-f...) | KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 1.87E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer AG Curated by ChEMBL | Assay Description Antagonist activity at human P2X4 receptor tranfected in human 1321N1 cells assessed as inhibition of ATP-induced calcium influx incubated for 10 min... | J Med Chem 62: 11194-11217 (2019) Article DOI: 10.1021/acs.jmedchem.9b01304 BindingDB Entry DOI: 10.7270/Q2M048RW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
P2X purinoceptor 4 (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 | Article PubMed | n/a | n/a | 2.45E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer AG Curated by ChEMBL | Assay Description Antagonist activity at rat P2X4 receptor tranfected in human 1321N1 cells assessed as inhibition of ATP-induced calcium influx incubated for 10 mins ... | J Med Chem 62: 11194-11217 (2019) Article DOI: 10.1021/acs.jmedchem.9b01304 BindingDB Entry DOI: 10.7270/Q2M048RW | |||||||||||
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) | ||||||||||||
Beta-adrenergic receptor kinase 1 (Bos taurus) | 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 | 780 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Inhibition of bovine GRK2 using porcine brain tubulin as substrate incubated for 3 to 5 mins by [gamma32P]ATP based radiometric assay | Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01522 BindingDB Entry DOI: 10.7270/Q2S75M3V | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Potassium voltage-gated channel subfamily A member 3 (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 | Article PubMed | n/a | n/a | 3.19E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Citation and Details Article DOI: 10.1021/acs.jnatprod.1c00879 BindingDB Entry DOI: 10.7270/Q24Q8004 | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
G protein-coupled receptor kinase 5 (Homo sapiens (Human)) | BDBM22416 ((3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-f...) | PDB NCI pathway Reactome pathway KEGG 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 | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Temple University Curated by ChEMBL | Assay Description Inhibition of GRK5 (unknown origin) using tubulin as substrate by SDS-PAGE method | J Med Chem 59: 3793-807 (2016) Article DOI: 10.1021/acs.jmedchem.5b02000 BindingDB Entry DOI: 10.7270/Q2JQ12X4 | |||||||||||
More data for this Ligand-Target Pair |
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