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Compile Data Set for Download or QSAR

Found 100 hits with Last Name = 'trzybi?ski' and Initial = 'd'   
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
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50010859
PNG
(CHEMBL11 | IMIPRAMINE HYDROCHLORIDE | IMIPRAMINE P...)
Show SMILES CN(C)CCCN1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C19H24N2/c1-20(2)14-7-15-21-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21/h3-6,8-11H,7,12-15H2,1-2H3
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10n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to H1 receptor (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127493
BindingDB Entry DOI: 10.7270/Q2DJ5K7X
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50010859
PNG
(CHEMBL11 | IMIPRAMINE HYDROCHLORIDE | IMIPRAMINE P...)
Show SMILES CN(C)CCCN1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C19H24N2/c1-20(2)14-7-15-21-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21/h3-6,8-11H,7,12-15H2,1-2H3
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10n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to H1 receptor (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127493
BindingDB Entry DOI: 10.7270/Q2DJ5K7X
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50101814
PNG
(Dibenzepin)
Show SMILES CN(C)CCN1c2ccccc2N(C)c2ccccc2C1=O
Show InChI InChI=1S/C18H21N3O/c1-19(2)12-13-21-17-11-7-6-10-16(17)20(3)15-9-5-4-8-14(15)18(21)22/h4-11H,12-13H2,1-3H3
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20n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to H1 receptor (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127493
BindingDB Entry DOI: 10.7270/Q2DJ5K7X
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50010859
PNG
(CHEMBL11 | IMIPRAMINE HYDROCHLORIDE | IMIPRAMINE P...)
Show SMILES CN(C)CCCN1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C19H24N2/c1-20(2)14-7-15-21-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21/h3-6,8-11H,7,12-15H2,1-2H3
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20n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to SERT (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127493
BindingDB Entry DOI: 10.7270/Q2DJ5K7X
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50101814
PNG
(Dibenzepin)
Show SMILES CN(C)CCN1c2ccccc2N(C)c2ccccc2C1=O
Show InChI InChI=1S/C18H21N3O/c1-19(2)12-13-21-17-11-7-6-10-16(17)20(3)15-9-5-4-8-14(15)18(21)22/h4-11H,12-13H2,1-3H3
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20n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to H1 receptor (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127493
BindingDB Entry DOI: 10.7270/Q2DJ5K7X
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50010859
PNG
(CHEMBL11 | IMIPRAMINE HYDROCHLORIDE | IMIPRAMINE P...)
Show SMILES CN(C)CCCN1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C19H24N2/c1-20(2)14-7-15-21-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21/h3-6,8-11H,7,12-15H2,1-2H3
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20n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to SERT (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127493
BindingDB Entry DOI: 10.7270/Q2DJ5K7X
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50546546
PNG
(CHEMBL4746800)
Show SMILES CN(C)CCN1c2ccccc2\C=C/c2ccccc2C1=O |c:13|
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120n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to H1 receptor (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127493
BindingDB Entry DOI: 10.7270/Q2DJ5K7X
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50546546
PNG
(CHEMBL4746800)
Show SMILES CN(C)CCN1c2ccccc2\C=C/c2ccccc2C1=O |c:13|
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120n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to H1 receptor (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127493
BindingDB Entry DOI: 10.7270/Q2DJ5K7X
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50546551
PNG
(CHEMBL4744893)
Show SMILES CN(C)CCN1c2ccccc2CCc2ccccc2C1=O
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290n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to H1 receptor (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127493
BindingDB Entry DOI: 10.7270/Q2DJ5K7X
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50546551
PNG
(CHEMBL4744893)
Show SMILES CN(C)CCN1c2ccccc2CCc2ccccc2C1=O
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290n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to H1 receptor (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127493
BindingDB Entry DOI: 10.7270/Q2DJ5K7X
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50546547
PNG
(CHEMBL4756446)
Show SMILES CN(C)CCCN1c2ccccc2\C=C/c2ccccc2C1=O |c:14|
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430n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to H1 receptor (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127493
BindingDB Entry DOI: 10.7270/Q2DJ5K7X
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50546547
PNG
(CHEMBL4756446)
Show SMILES CN(C)CCCN1c2ccccc2\C=C/c2ccccc2C1=O |c:14|
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430n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to H1 receptor (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127493
BindingDB Entry DOI: 10.7270/Q2DJ5K7X
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50546552
PNG
(CHEMBL4756695)
Show SMILES CN(C)CCCN1c2ccccc2CCc2ccccc2C1=O
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810n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to H1 receptor (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127493
BindingDB Entry DOI: 10.7270/Q2DJ5K7X
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50546552
PNG
(CHEMBL4756695)
Show SMILES CN(C)CCCN1c2ccccc2CCc2ccccc2C1=O
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810n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to H1 receptor (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127493
BindingDB Entry DOI: 10.7270/Q2DJ5K7X
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50101814
PNG
(Dibenzepin)
Show SMILES CN(C)CCN1c2ccccc2N(C)c2ccccc2C1=O
Show InChI InChI=1S/C18H21N3O/c1-19(2)12-13-21-17-11-7-6-10-16(17)20(3)15-9-5-4-8-14(15)18(21)22/h4-11H,12-13H2,1-3H3
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2.50E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to 5HT1A receptor (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127493
BindingDB Entry DOI: 10.7270/Q2DJ5K7X
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50101814
PNG
(Dibenzepin)
Show SMILES CN(C)CCN1c2ccccc2N(C)c2ccccc2C1=O
Show InChI InChI=1S/C18H21N3O/c1-19(2)12-13-21-17-11-7-6-10-16(17)20(3)15-9-5-4-8-14(15)18(21)22/h4-11H,12-13H2,1-3H3
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2.50E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to 5HT1A receptor (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127493
BindingDB Entry DOI: 10.7270/Q2DJ5K7X
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50101814
PNG
(Dibenzepin)
Show SMILES CN(C)CCN1c2ccccc2N(C)c2ccccc2C1=O
Show InChI InChI=1S/C18H21N3O/c1-19(2)12-13-21-17-11-7-6-10-16(17)20(3)15-9-5-4-8-14(15)18(21)22/h4-11H,12-13H2,1-3H3
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3.30E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to 5HT6 receptor (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127493
BindingDB Entry DOI: 10.7270/Q2DJ5K7X
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50101814
PNG
(Dibenzepin)
Show SMILES CN(C)CCN1c2ccccc2N(C)c2ccccc2C1=O
Show InChI InChI=1S/C18H21N3O/c1-19(2)12-13-21-17-11-7-6-10-16(17)20(3)15-9-5-4-8-14(15)18(21)22/h4-11H,12-13H2,1-3H3
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3.30E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to 5HT6 receptor (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127493
BindingDB Entry DOI: 10.7270/Q2DJ5K7X
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50546546
PNG
(CHEMBL4746800)
Show SMILES CN(C)CCN1c2ccccc2\C=C/c2ccccc2C1=O |c:13|
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4.60E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to SERT (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127493
BindingDB Entry DOI: 10.7270/Q2DJ5K7X
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50546546
PNG
(CHEMBL4746800)
Show SMILES CN(C)CCN1c2ccccc2\C=C/c2ccccc2C1=O |c:13|
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4.60E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to SERT (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127493
BindingDB Entry DOI: 10.7270/Q2DJ5K7X
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50546550
PNG
(CHEMBL4796968)
Show SMILES CN1CCN(CCCN2c3ccccc3\C=C/c3ccccc3C2=O)CC1 |c:16|
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>5.00E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to H1 receptor (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127493
BindingDB Entry DOI: 10.7270/Q2DJ5K7X
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50546550
PNG
(CHEMBL4796968)
Show SMILES CN1CCN(CCCN2c3ccccc3\C=C/c3ccccc3C2=O)CC1 |c:16|
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>5.00E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to H1 receptor (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127493
BindingDB Entry DOI: 10.7270/Q2DJ5K7X
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50546555
PNG
(CHEMBL4751842)
Show SMILES CN(C)CCN1c2cc3ccccc3cc2C(=O)N(C)c2ccc(Cl)cc2C1=O
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>5.00E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to H1 receptor (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127493
BindingDB Entry DOI: 10.7270/Q2DJ5K7X
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50546555
PNG
(CHEMBL4751842)
Show SMILES CN(C)CCN1c2cc3ccccc3cc2C(=O)N(C)c2ccc(Cl)cc2C1=O
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>5.00E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to H1 receptor (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127493
BindingDB Entry DOI: 10.7270/Q2DJ5K7X
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50101814
PNG
(Dibenzepin)
Show SMILES CN(C)CCN1c2ccccc2N(C)c2ccccc2C1=O
Show InChI InChI=1S/C18H21N3O/c1-19(2)12-13-21-17-11-7-6-10-16(17)20(3)15-9-5-4-8-14(15)18(21)22/h4-11H,12-13H2,1-3H3
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7.20E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to 5HT2A receptor (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127493
BindingDB Entry DOI: 10.7270/Q2DJ5K7X
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50101814
PNG
(Dibenzepin)
Show SMILES CN(C)CCN1c2ccccc2N(C)c2ccccc2C1=O
Show InChI InChI=1S/C18H21N3O/c1-19(2)12-13-21-17-11-7-6-10-16(17)20(3)15-9-5-4-8-14(15)18(21)22/h4-11H,12-13H2,1-3H3
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7.20E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to 5HT2A receptor (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127493
BindingDB Entry DOI: 10.7270/Q2DJ5K7X
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50546550
PNG
(CHEMBL4796968)
Show SMILES CN1CCN(CCCN2c3ccccc3\C=C/c3ccccc3C2=O)CC1 |c:16|
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7.50E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to D2 receptor (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127493
BindingDB Entry DOI: 10.7270/Q2DJ5K7X
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50546550
PNG
(CHEMBL4796968)
Show SMILES CN1CCN(CCCN2c3ccccc3\C=C/c3ccccc3C2=O)CC1 |c:16|
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7.50E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to D2 receptor (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127493
BindingDB Entry DOI: 10.7270/Q2DJ5K7X
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50546547
PNG
(CHEMBL4756446)
Show SMILES CN(C)CCCN1c2ccccc2\C=C/c2ccccc2C1=O |c:14|
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9.00E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to D2 receptor (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127493
BindingDB Entry DOI: 10.7270/Q2DJ5K7X
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50546547
PNG
(CHEMBL4756446)
Show SMILES CN(C)CCCN1c2ccccc2\C=C/c2ccccc2C1=O |c:14|
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9.00E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to D2 receptor (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127493
BindingDB Entry DOI: 10.7270/Q2DJ5K7X
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50546556
PNG
(CHEMBL4799378)
Show SMILES CN(C)CCCN1c2ccccc2C(=O)N(C)c2ccccc2C1=O
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>1.00E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to H1 receptor (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127493
BindingDB Entry DOI: 10.7270/Q2DJ5K7X
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50546556
PNG
(CHEMBL4799378)
Show SMILES CN(C)CCCN1c2ccccc2C(=O)N(C)c2ccccc2C1=O
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>1.00E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to H1 receptor (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127493
BindingDB Entry DOI: 10.7270/Q2DJ5K7X
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50546548
PNG
(CHEMBL4742201)
Show SMILES CN(C)CCN1c2ccccc2C(=O)N(C)c2ccccc2C1=O
PDB

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>1.00E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to H1 receptor (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127493
BindingDB Entry DOI: 10.7270/Q2DJ5K7X
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50546548
PNG
(CHEMBL4742201)
Show SMILES CN(C)CCN1c2ccccc2C(=O)N(C)c2ccccc2C1=O
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>1.00E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to H1 receptor (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127493
BindingDB Entry DOI: 10.7270/Q2DJ5K7X
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50546553
PNG
(CHEMBL4740541)
Show SMILES COc1cc2N(CCN(C)C)C(=O)c3ccccc3N(C)C(=O)c2cc1OC
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>1.00E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to H1 receptor (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127493
BindingDB Entry DOI: 10.7270/Q2DJ5K7X
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50546553
PNG
(CHEMBL4740541)
Show SMILES COc1cc2N(CCN(C)C)C(=O)c3ccccc3N(C)C(=O)c2cc1OC
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>1.00E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to H1 receptor (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127493
BindingDB Entry DOI: 10.7270/Q2DJ5K7X
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50101814
PNG
(Dibenzepin)
Show SMILES CN(C)CCN1c2ccccc2N(C)c2ccccc2C1=O
Show InChI InChI=1S/C18H21N3O/c1-19(2)12-13-21-17-11-7-6-10-16(17)20(3)15-9-5-4-8-14(15)18(21)22/h4-11H,12-13H2,1-3H3
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PubMed
1.09E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to SERT (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127493
BindingDB Entry DOI: 10.7270/Q2DJ5K7X
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50101814
PNG
(Dibenzepin)
Show SMILES CN(C)CCN1c2ccccc2N(C)c2ccccc2C1=O
Show InChI InChI=1S/C18H21N3O/c1-19(2)12-13-21-17-11-7-6-10-16(17)20(3)15-9-5-4-8-14(15)18(21)22/h4-11H,12-13H2,1-3H3
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PubMed
1.09E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to SERT (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127493
BindingDB Entry DOI: 10.7270/Q2DJ5K7X
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50546546
PNG
(CHEMBL4746800)
Show SMILES CN(C)CCN1c2ccccc2\C=C/c2ccccc2C1=O |c:13|
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PubMed
1.16E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to D2 receptor (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127493
BindingDB Entry DOI: 10.7270/Q2DJ5K7X
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50546546
PNG
(CHEMBL4746800)
Show SMILES CN(C)CCN1c2ccccc2\C=C/c2ccccc2C1=O |c:13|
PDB

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1.16E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to D2 receptor (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127493
BindingDB Entry DOI: 10.7270/Q2DJ5K7X
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50101814
PNG
(Dibenzepin)
Show SMILES CN(C)CCN1c2ccccc2N(C)c2ccccc2C1=O
Show InChI InChI=1S/C18H21N3O/c1-19(2)12-13-21-17-11-7-6-10-16(17)20(3)15-9-5-4-8-14(15)18(21)22/h4-11H,12-13H2,1-3H3
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PubMed
1.23E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to 5HT7 receptor (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127493
BindingDB Entry DOI: 10.7270/Q2DJ5K7X
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50101814
PNG
(Dibenzepin)
Show SMILES CN(C)CCN1c2ccccc2N(C)c2ccccc2C1=O
Show InChI InChI=1S/C18H21N3O/c1-19(2)12-13-21-17-11-7-6-10-16(17)20(3)15-9-5-4-8-14(15)18(21)22/h4-11H,12-13H2,1-3H3
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PubMed
1.23E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to 5HT7 receptor (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127493
BindingDB Entry DOI: 10.7270/Q2DJ5K7X
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50546551
PNG
(CHEMBL4744893)
Show SMILES CN(C)CCN1c2ccccc2CCc2ccccc2C1=O
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PubMed
1.24E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to SERT (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127493
BindingDB Entry DOI: 10.7270/Q2DJ5K7X
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50546551
PNG
(CHEMBL4744893)
Show SMILES CN(C)CCN1c2ccccc2CCc2ccccc2C1=O
PDB

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1.24E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to SERT (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127493
BindingDB Entry DOI: 10.7270/Q2DJ5K7X
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50546547
PNG
(CHEMBL4756446)
Show SMILES CN(C)CCCN1c2ccccc2\C=C/c2ccccc2C1=O |c:14|
PDB
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1.71E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to 5HT2A receptor (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127493
BindingDB Entry DOI: 10.7270/Q2DJ5K7X
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50546547
PNG
(CHEMBL4756446)
Show SMILES CN(C)CCCN1c2ccccc2\C=C/c2ccccc2C1=O |c:14|
PDB
MMDB

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1.71E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to 5HT2A receptor (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127493
BindingDB Entry DOI: 10.7270/Q2DJ5K7X
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50546549
PNG
(CHEMBL4778076)
Show SMILES O=C1N(CCCN2CCOCC2)c2ccccc2\C=C/c2ccccc12 |c:20|
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1.91E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to D2 receptor (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127493
BindingDB Entry DOI: 10.7270/Q2DJ5K7X
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50546549
PNG
(CHEMBL4778076)
Show SMILES O=C1N(CCCN2CCOCC2)c2ccccc2\C=C/c2ccccc12 |c:20|
PDB

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1.91E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to D2 receptor (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127493
BindingDB Entry DOI: 10.7270/Q2DJ5K7X
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50546546
PNG
(CHEMBL4746800)
Show SMILES CN(C)CCN1c2ccccc2\C=C/c2ccccc2C1=O |c:13|
PDB

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2.01E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to 5HT6 receptor (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127493
BindingDB Entry DOI: 10.7270/Q2DJ5K7X
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50546546
PNG
(CHEMBL4746800)
Show SMILES CN(C)CCN1c2ccccc2\C=C/c2ccccc2C1=O |c:13|
PDB

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2.01E+4n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to 5HT6 receptor (unknown origin)


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127493
BindingDB Entry DOI: 10.7270/Q2DJ5K7X
More data for this
Ligand-Target Pair
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