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Patent code US9511061

Compile Data Set for Download or QSAR
Found 6 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50278564
PNG
(CHEMBL471036 | Litoxetine | US9511061, Compound A)
Show SMILES C(OC1CCNCC1)c1ccc2ccccc2c1
Show InChI InChI=1S/C16H19NO/c1-2-4-15-11-13(5-6-14(15)3-1)12-18-16-7-9-17-10-8-16/h1-6,11,16-17H,7-10,12H2
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PC sid
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US Patent
200n/a 250n/an/an/an/an/an/a



IXALTIS

US Patent


Assay Description
The affinity of the compound A was evaluated in vitro on 8 cloned human serotoninergic receptors by measuring the specific binding of the ligands to ...


Citation and Details
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50278564
PNG
(CHEMBL471036 | Litoxetine | US9511061, Compound A)
Show SMILES C(OC1CCNCC1)c1ccc2ccccc2c1
Show InChI InChI=1S/C16H19NO/c1-2-4-15-11-13(5-6-14(15)3-1)12-18-16-7-9-17-10-8-16/h1-6,11,16-17H,7-10,12H2
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PC cid
PC sid
UniChem

Patents

US Patent
620n/a 1.00E+3n/an/an/an/an/an/a



IXALTIS

US Patent


Assay Description
The affinity of the compound A was evaluated in vitro on 8 cloned human serotoninergic receptors by measuring the specific binding of the ligands to ...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin 3 (5-HT3) receptor


(Homo sapiens (Human))
BDBM50278564
PNG
(CHEMBL471036 | Litoxetine | US9511061, Compound A)
Show SMILES C(OC1CCNCC1)c1ccc2ccccc2c1
Show InChI InChI=1S/C16H19NO/c1-2-4-15-11-13(5-6-14(15)3-1)12-18-16-7-9-17-10-8-16/h1-6,11,16-17H,7-10,12H2
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PC cid
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UniChem

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US Patent
720n/a 1.40E+3n/an/an/an/an/an/a



IXALTIS

US Patent


Assay Description
The affinity of the compound A was evaluated in vitro on 8 cloned human serotoninergic receptors by measuring the specific binding of the ligands to ...


Citation and Details
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (human))
BDBM50278564
PNG
(CHEMBL471036 | Litoxetine | US9511061, Compound A)
Show SMILES C(OC1CCNCC1)c1ccc2ccccc2c1
Show InChI InChI=1S/C16H19NO/c1-2-4-15-11-13(5-6-14(15)3-1)12-18-16-7-9-17-10-8-16/h1-6,11,16-17H,7-10,12H2
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PC cid
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UniChem

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US Patent
980n/a 1.00E+3n/an/an/an/an/an/a



IXALTIS

US Patent


Assay Description
The affinity of the compound A was evaluated in vitro on 8 cloned human serotoninergic receptors by measuring the specific binding of the ligands to ...


Citation and Details
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4 (5-HT4e)


(Homo sapiens (Human))
BDBM50278564
PNG
(CHEMBL471036 | Litoxetine | US9511061, Compound A)
Show SMILES C(OC1CCNCC1)c1ccc2ccccc2c1
Show InChI InChI=1S/C16H19NO/c1-2-4-15-11-13(5-6-14(15)3-1)12-18-16-7-9-17-10-8-16/h1-6,11,16-17H,7-10,12H2
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PC cid
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US Patent
1.60E+3n/a 4.70E+3n/an/an/an/an/an/a



IXALTIS

US Patent


Assay Description
The affinity of the compound A was evaluated in vitro on 8 cloned human serotoninergic receptors by measuring the specific binding of the ligands to ...


Citation and Details
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (human))
BDBM50278564
PNG
(CHEMBL471036 | Litoxetine | US9511061, Compound A)
Show SMILES C(OC1CCNCC1)c1ccc2ccccc2c1
Show InChI InChI=1S/C16H19NO/c1-2-4-15-11-13(5-6-14(15)3-1)12-18-16-7-9-17-10-8-16/h1-6,11,16-17H,7-10,12H2
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PC cid
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UniChem

Patents

US Patent
2.60E+3n/a 7.20E+3n/an/an/an/an/an/a



IXALTIS

US Patent


Assay Description
The affinity of the compound A was evaluated in vitro on 8 cloned human serotoninergic receptors by measuring the specific binding of the ligands to ...


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%