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Compile Data Set for Download or QSAR

Found 17 hits of ki for monomerid = 50079939   
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
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50079939
PNG
((7-Chloro-2,3-dihydro-benzo[1,4]dioxin-2-ylmethyl)...)
Show SMILES COc1ccccc1N1CCC(CNCC2COc3ccc(Cl)cc3O2)CC1
Show InChI InChI=1S/C22H27ClN2O3/c1-26-20-5-3-2-4-19(20)25-10-8-16(9-11-25)13-24-14-18-15-27-21-7-6-17(23)12-22(21)28-18/h2-7,12,16,18,24H,8-11,13-15H2,1H3
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1.60n/an/an/an/an/an/an/an/a



Knoll Pharmaceuticals

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity against human Dopamine receptor D3


J Med Chem 42: 3342-55 (1999)


Article DOI: 10.1021/jm9910122
BindingDB Entry DOI: 10.7270/Q2WH2P6K
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50079939
PNG
((7-Chloro-2,3-dihydro-benzo[1,4]dioxin-2-ylmethyl)...)
Show SMILES COc1ccccc1N1CCC(CNCC2COc3ccc(Cl)cc3O2)CC1
Show InChI InChI=1S/C22H27ClN2O3/c1-26-20-5-3-2-4-19(20)25-10-8-16(9-11-25)13-24-14-18-15-27-21-7-6-17(23)12-22(21)28-18/h2-7,12,16,18,24H,8-11,13-15H2,1H3
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3.60n/an/an/an/an/an/an/an/a



Knoll Pharmaceuticals

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity against 5-hydroxytryptamine 1A receptor receptor


J Med Chem 42: 3342-55 (1999)


Article DOI: 10.1021/jm9910122
BindingDB Entry DOI: 10.7270/Q2WH2P6K
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50079939
PNG
((7-Chloro-2,3-dihydro-benzo[1,4]dioxin-2-ylmethyl)...)
Show SMILES COc1ccccc1N1CCC(CNCC2COc3ccc(Cl)cc3O2)CC1
Show InChI InChI=1S/C22H27ClN2O3/c1-26-20-5-3-2-4-19(20)25-10-8-16(9-11-25)13-24-14-18-15-27-21-7-6-17(23)12-22(21)28-18/h2-7,12,16,18,24H,8-11,13-15H2,1H3
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13.2n/an/an/an/an/an/an/an/a



Knoll Pharmaceuticals

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity against human Dopamine receptor D2L


J Med Chem 42: 3342-55 (1999)


Article DOI: 10.1021/jm9910122
BindingDB Entry DOI: 10.7270/Q2WH2P6K
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50079939
PNG
((7-Chloro-2,3-dihydro-benzo[1,4]dioxin-2-ylmethyl)...)
Show SMILES COc1ccccc1N1CCC(CNCC2COc3ccc(Cl)cc3O2)CC1
Show InChI InChI=1S/C22H27ClN2O3/c1-26-20-5-3-2-4-19(20)25-10-8-16(9-11-25)13-24-14-18-15-27-21-7-6-17(23)12-22(21)28-18/h2-7,12,16,18,24H,8-11,13-15H2,1H3
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22n/an/an/an/an/an/an/an/a



Knoll Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1A receptor from rat brain using [3H]-8-OH-DPAT as radioligand


J Med Chem 42: 3342-55 (1999)


Article DOI: 10.1021/jm9910122
BindingDB Entry DOI: 10.7270/Q2WH2P6K
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50079939
PNG
((7-Chloro-2,3-dihydro-benzo[1,4]dioxin-2-ylmethyl)...)
Show SMILES COc1ccccc1N1CCC(CNCC2COc3ccc(Cl)cc3O2)CC1
Show InChI InChI=1S/C22H27ClN2O3/c1-26-20-5-3-2-4-19(20)25-10-8-16(9-11-25)13-24-14-18-15-27-21-7-6-17(23)12-22(21)28-18/h2-7,12,16,18,24H,8-11,13-15H2,1H3
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27n/an/an/an/an/an/an/an/a



Knoll Pharmaceuticals

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity against 5-hydroxytryptamine 7 receptor


J Med Chem 42: 3342-55 (1999)


Article DOI: 10.1021/jm9910122
BindingDB Entry DOI: 10.7270/Q2WH2P6K
More data for this
Ligand-Target Pair
Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor


(Rattus norvegicus (rat))
BDBM50079939
PNG
((7-Chloro-2,3-dihydro-benzo[1,4]dioxin-2-ylmethyl)...)
Show SMILES COc1ccccc1N1CCC(CNCC2COc3ccc(Cl)cc3O2)CC1
Show InChI InChI=1S/C22H27ClN2O3/c1-26-20-5-3-2-4-19(20)25-10-8-16(9-11-25)13-24-14-18-15-27-21-7-6-17(23)12-22(21)28-18/h2-7,12,16,18,24H,8-11,13-15H2,1H3
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44n/an/an/an/an/an/an/an/a



Knoll Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity of the compound to the dopamine receptor D2L in rat brain membranes


J Med Chem 42: 3342-55 (1999)


Article DOI: 10.1021/jm9910122
BindingDB Entry DOI: 10.7270/Q2WH2P6K
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50079939
PNG
((7-Chloro-2,3-dihydro-benzo[1,4]dioxin-2-ylmethyl)...)
Show SMILES COc1ccccc1N1CCC(CNCC2COc3ccc(Cl)cc3O2)CC1
Show InChI InChI=1S/C22H27ClN2O3/c1-26-20-5-3-2-4-19(20)25-10-8-16(9-11-25)13-24-14-18-15-27-21-7-6-17(23)12-22(21)28-18/h2-7,12,16,18,24H,8-11,13-15H2,1H3
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58n/an/an/an/an/an/an/an/a



Knoll Pharmaceuticals

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity against 5-hydroxytryptamine 2C receptor


J Med Chem 42: 3342-55 (1999)


Article DOI: 10.1021/jm9910122
BindingDB Entry DOI: 10.7270/Q2WH2P6K
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50079939
PNG
((7-Chloro-2,3-dihydro-benzo[1,4]dioxin-2-ylmethyl)...)
Show SMILES COc1ccccc1N1CCC(CNCC2COc3ccc(Cl)cc3O2)CC1
Show InChI InChI=1S/C22H27ClN2O3/c1-26-20-5-3-2-4-19(20)25-10-8-16(9-11-25)13-24-14-18-15-27-21-7-6-17(23)12-22(21)28-18/h2-7,12,16,18,24H,8-11,13-15H2,1H3
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70.9n/an/an/an/an/an/an/an/a



Knoll Pharmaceuticals

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity against Dopamine receptor D4


J Med Chem 42: 3342-55 (1999)


Article DOI: 10.1021/jm9910122
BindingDB Entry DOI: 10.7270/Q2WH2P6K
More data for this
Ligand-Target Pair
HTR6


(RAT)
BDBM50079939
PNG
((7-Chloro-2,3-dihydro-benzo[1,4]dioxin-2-ylmethyl)...)
Show SMILES COc1ccccc1N1CCC(CNCC2COc3ccc(Cl)cc3O2)CC1
Show InChI InChI=1S/C22H27ClN2O3/c1-26-20-5-3-2-4-19(20)25-10-8-16(9-11-25)13-24-14-18-15-27-21-7-6-17(23)12-22(21)28-18/h2-7,12,16,18,24H,8-11,13-15H2,1H3
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>500n/an/an/an/an/an/an/an/a



Knoll Pharmaceuticals

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity against 5-hydroxytryptamine 6 receptor


J Med Chem 42: 3342-55 (1999)


Article DOI: 10.1021/jm9910122
BindingDB Entry DOI: 10.7270/Q2WH2P6K
More data for this
Ligand-Target Pair
Adrenergic receptor alpha


(Rattus norvegicus (rat))
BDBM50079939
PNG
((7-Chloro-2,3-dihydro-benzo[1,4]dioxin-2-ylmethyl)...)
Show SMILES COc1ccccc1N1CCC(CNCC2COc3ccc(Cl)cc3O2)CC1
Show InChI InChI=1S/C22H27ClN2O3/c1-26-20-5-3-2-4-19(20)25-10-8-16(9-11-25)13-24-14-18-15-27-21-7-6-17(23)12-22(21)28-18/h2-7,12,16,18,24H,8-11,13-15H2,1H3
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>500n/an/an/an/an/an/an/an/a



Knoll Pharmaceuticals

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity against alpha-2D adrenergic receptor


J Med Chem 42: 3342-55 (1999)


Article DOI: 10.1021/jm9910122
BindingDB Entry DOI: 10.7270/Q2WH2P6K
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50079939
PNG
((7-Chloro-2,3-dihydro-benzo[1,4]dioxin-2-ylmethyl)...)
Show SMILES COc1ccccc1N1CCC(CNCC2COc3ccc(Cl)cc3O2)CC1
Show InChI InChI=1S/C22H27ClN2O3/c1-26-20-5-3-2-4-19(20)25-10-8-16(9-11-25)13-24-14-18-15-27-21-7-6-17(23)12-22(21)28-18/h2-7,12,16,18,24H,8-11,13-15H2,1H3
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>500n/an/an/an/an/an/an/an/a



Knoll Pharmaceuticals

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity against 5-hydroxytryptamine 2A receptor


J Med Chem 42: 3342-55 (1999)


Article DOI: 10.1021/jm9910122
BindingDB Entry DOI: 10.7270/Q2WH2P6K
More data for this
Ligand-Target Pair
Serotonin 4 (5-HT4) receptor


(Sus scrofa)
BDBM50079939
PNG
((7-Chloro-2,3-dihydro-benzo[1,4]dioxin-2-ylmethyl)...)
Show SMILES COc1ccccc1N1CCC(CNCC2COc3ccc(Cl)cc3O2)CC1
Show InChI InChI=1S/C22H27ClN2O3/c1-26-20-5-3-2-4-19(20)25-10-8-16(9-11-25)13-24-14-18-15-27-21-7-6-17(23)12-22(21)28-18/h2-7,12,16,18,24H,8-11,13-15H2,1H3
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>1.00E+3n/an/an/an/an/an/an/an/a



Knoll Pharmaceuticals

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity against 5-hydroxytryptamine 4 receptor


J Med Chem 42: 3342-55 (1999)


Article DOI: 10.1021/jm9910122
BindingDB Entry DOI: 10.7270/Q2WH2P6K
More data for this
Ligand-Target Pair
Dopamine D5 receptor


(Homo sapiens (Human))
BDBM50079939
PNG
((7-Chloro-2,3-dihydro-benzo[1,4]dioxin-2-ylmethyl)...)
Show SMILES COc1ccccc1N1CCC(CNCC2COc3ccc(Cl)cc3O2)CC1
Show InChI InChI=1S/C22H27ClN2O3/c1-26-20-5-3-2-4-19(20)25-10-8-16(9-11-25)13-24-14-18-15-27-21-7-6-17(23)12-22(21)28-18/h2-7,12,16,18,24H,8-11,13-15H2,1H3
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>1.00E+3n/an/an/an/an/an/an/an/a



Knoll Pharmaceuticals

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity against human Dopamine receptor D5


J Med Chem 42: 3342-55 (1999)


Article DOI: 10.1021/jm9910122
BindingDB Entry DOI: 10.7270/Q2WH2P6K
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50079939
PNG
((7-Chloro-2,3-dihydro-benzo[1,4]dioxin-2-ylmethyl)...)
Show SMILES COc1ccccc1N1CCC(CNCC2COc3ccc(Cl)cc3O2)CC1
Show InChI InChI=1S/C22H27ClN2O3/c1-26-20-5-3-2-4-19(20)25-10-8-16(9-11-25)13-24-14-18-15-27-21-7-6-17(23)12-22(21)28-18/h2-7,12,16,18,24H,8-11,13-15H2,1H3
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>1.00E+3n/an/an/an/an/an/an/an/a



Knoll Pharmaceuticals

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity against 5-hydroxytryptamine 3 receptor


J Med Chem 42: 3342-55 (1999)


Article DOI: 10.1021/jm9910122
BindingDB Entry DOI: 10.7270/Q2WH2P6K
More data for this
Ligand-Target Pair
Serotonin 1b (5-HT1b) receptor


(Sus scrofa)
BDBM50079939
PNG
((7-Chloro-2,3-dihydro-benzo[1,4]dioxin-2-ylmethyl)...)
Show SMILES COc1ccccc1N1CCC(CNCC2COc3ccc(Cl)cc3O2)CC1
Show InChI InChI=1S/C22H27ClN2O3/c1-26-20-5-3-2-4-19(20)25-10-8-16(9-11-25)13-24-14-18-15-27-21-7-6-17(23)12-22(21)28-18/h2-7,12,16,18,24H,8-11,13-15H2,1H3
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>1.00E+3n/an/an/an/an/an/an/an/a



Knoll Pharmaceuticals

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity against 5-hydroxytryptamine 1B receptor


J Med Chem 42: 3342-55 (1999)


Article DOI: 10.1021/jm9910122
BindingDB Entry DOI: 10.7270/Q2WH2P6K
More data for this
Ligand-Target Pair
Histamine H1 receptor


(RAT)
BDBM50079939
PNG
((7-Chloro-2,3-dihydro-benzo[1,4]dioxin-2-ylmethyl)...)
Show SMILES COc1ccccc1N1CCC(CNCC2COc3ccc(Cl)cc3O2)CC1
Show InChI InChI=1S/C22H27ClN2O3/c1-26-20-5-3-2-4-19(20)25-10-8-16(9-11-25)13-24-14-18-15-27-21-7-6-17(23)12-22(21)28-18/h2-7,12,16,18,24H,8-11,13-15H2,1H3
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>1.00E+3n/an/an/an/an/an/an/an/a



Knoll Pharmaceuticals

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity against H1 receptor


J Med Chem 42: 3342-55 (1999)


Article DOI: 10.1021/jm9910122
BindingDB Entry DOI: 10.7270/Q2WH2P6K
More data for this
Ligand-Target Pair
D(1A) dopamine receptor


(Homo sapiens (Human))
BDBM50079939
PNG
((7-Chloro-2,3-dihydro-benzo[1,4]dioxin-2-ylmethyl)...)
Show SMILES COc1ccccc1N1CCC(CNCC2COc3ccc(Cl)cc3O2)CC1
Show InChI InChI=1S/C22H27ClN2O3/c1-26-20-5-3-2-4-19(20)25-10-8-16(9-11-25)13-24-14-18-15-27-21-7-6-17(23)12-22(21)28-18/h2-7,12,16,18,24H,8-11,13-15H2,1H3
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>1.00E+3n/an/an/an/an/an/an/an/a



Knoll Pharmaceuticals

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity against human Dopamine receptor D1


J Med Chem 42: 3342-55 (1999)


Article DOI: 10.1021/jm9910122
BindingDB Entry DOI: 10.7270/Q2WH2P6K
More data for this
Ligand-Target Pair