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Compile Data Set for Download or QSAR

Found 10 hits Enz. Inhib. hit(s) with all data for entry = 50002089   
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(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50020192
PNG
(8-(2,3-Dihydro-benzo[1,4]dioxin-2-ylmethyl)-1-phen...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC2COc3ccccc3O2)CC1
Show InChI InChI=1S/C22H25N3O3/c26-21-22(25(16-23-21)17-6-2-1-3-7-17)10-12-24(13-11-22)14-18-15-27-19-8-4-5-9-20(19)28-18/h1-9,18H,10-16H2,(H,23,26)
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PubMed
1.45n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity of the compound against Dopamine receptor D2 of rat was determined using 2 nM of [3H]-sulpiride in binding assay


J Med Chem 31: 1965-8 (1988)


BindingDB Entry DOI: 10.7270/Q2NV9H7W
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50020192
PNG
(8-(2,3-Dihydro-benzo[1,4]dioxin-2-ylmethyl)-1-phen...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC2COc3ccccc3O2)CC1
Show InChI InChI=1S/C22H25N3O3/c26-21-22(25(16-23-21)17-6-2-1-3-7-17)10-12-24(13-11-22)14-18-15-27-19-8-4-5-9-20(19)28-18/h1-9,18H,10-16H2,(H,23,26)
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PubMed
1.5n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity against Dopamine receptor D2 of rat was determined using 2 nM of [3H]sulpiride in binding assay


J Med Chem 31: 1965-8 (1988)


BindingDB Entry DOI: 10.7270/Q2NV9H7W
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50020192
PNG
(8-(2,3-Dihydro-benzo[1,4]dioxin-2-ylmethyl)-1-phen...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC2COc3ccccc3O2)CC1
Show InChI InChI=1S/C22H25N3O3/c26-21-22(25(16-23-21)17-6-2-1-3-7-17)10-12-24(13-11-22)14-18-15-27-19-8-4-5-9-20(19)28-18/h1-9,18H,10-16H2,(H,23,26)
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21n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 1A receptor of rat was determined using [3H]-8-OH-DPAT in binding assay


J Med Chem 31: 1965-8 (1988)


BindingDB Entry DOI: 10.7270/Q2NV9H7W
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50020192
PNG
(8-(2,3-Dihydro-benzo[1,4]dioxin-2-ylmethyl)-1-phen...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC2COc3ccccc3O2)CC1
Show InChI InChI=1S/C22H25N3O3/c26-21-22(25(16-23-21)17-6-2-1-3-7-17)10-12-24(13-11-22)14-18-15-27-19-8-4-5-9-20(19)28-18/h1-9,18H,10-16H2,(H,23,26)
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21n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity of the compound against Dopamine receptor D2 of rat was determined using 2 nM of [3H]-sulpiride in binding assay


J Med Chem 31: 1965-8 (1988)


BindingDB Entry DOI: 10.7270/Q2NV9H7W
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)
BDBM50020192
PNG
(8-(2,3-Dihydro-benzo[1,4]dioxin-2-ylmethyl)-1-phen...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC2COc3ccccc3O2)CC1
Show InChI InChI=1S/C22H25N3O3/c26-21-22(25(16-23-21)17-6-2-1-3-7-17)10-12-24(13-11-22)14-18-15-27-19-8-4-5-9-20(19)28-18/h1-9,18H,10-16H2,(H,23,26)
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PubMed
858n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 1A receptor of rat was determined using [3H]-8-OH-DPAT in binding assay


J Med Chem 31: 1965-8 (1988)


BindingDB Entry DOI: 10.7270/Q2NV9H7W
More data for this
Ligand-Target Pair
Serotonin 2 (5-HT2) receptor


(RAT-Rattus norvegicus (Rat)-Rattus norvegicus (rat...)
BDBM50020192
PNG
(8-(2,3-Dihydro-benzo[1,4]dioxin-2-ylmethyl)-1-phen...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC2COc3ccccc3O2)CC1
Show InChI InChI=1S/C22H25N3O3/c26-21-22(25(16-23-21)17-6-2-1-3-7-17)10-12-24(13-11-22)14-18-15-27-19-8-4-5-9-20(19)28-18/h1-9,18H,10-16H2,(H,23,26)
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PubMed
858n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity towards serotonin 5-hydroxytryptamine 2 receptor of rat determined using 0.5 nM of [3H]ketanserin in binding assay


J Med Chem 31: 1965-8 (1988)


BindingDB Entry DOI: 10.7270/Q2NV9H7W
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50020192
PNG
(8-(2,3-Dihydro-benzo[1,4]dioxin-2-ylmethyl)-1-phen...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC2COc3ccccc3O2)CC1
Show InChI InChI=1S/C22H25N3O3/c26-21-22(25(16-23-21)17-6-2-1-3-7-17)10-12-24(13-11-22)14-18-15-27-19-8-4-5-9-20(19)28-18/h1-9,18H,10-16H2,(H,23,26)
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PubMed
1.05E+3n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity against alpha-1 adrenergic receptor of rat was determined using 0.5 nM of [3H]WB-4101 in binding assay


J Med Chem 31: 1965-8 (1988)


BindingDB Entry DOI: 10.7270/Q2NV9H7W
More data for this
Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50020192
PNG
(8-(2,3-Dihydro-benzo[1,4]dioxin-2-ylmethyl)-1-phen...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC2COc3ccccc3O2)CC1
Show InChI InChI=1S/C22H25N3O3/c26-21-22(25(16-23-21)17-6-2-1-3-7-17)10-12-24(13-11-22)14-18-15-27-19-8-4-5-9-20(19)28-18/h1-9,18H,10-16H2,(H,23,26)
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PubMed
1.05E+3n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity against alpha-1 adrenergic receptor of rat was determined using 0.5 nM of [3H]WB-4101 in binding assay


J Med Chem 31: 1965-8 (1988)


BindingDB Entry DOI: 10.7270/Q2NV9H7W
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Rattus norvegicus (Rat))
BDBM50020192
PNG
(8-(2,3-Dihydro-benzo[1,4]dioxin-2-ylmethyl)-1-phen...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC2COc3ccccc3O2)CC1
Show InChI InChI=1S/C22H25N3O3/c26-21-22(25(16-23-21)17-6-2-1-3-7-17)10-12-24(13-11-22)14-18-15-27-19-8-4-5-9-20(19)28-18/h1-9,18H,10-16H2,(H,23,26)
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PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1B receptor in rat was determined using 50 uL of [125I]-ICYP in binding assay


J Med Chem 31: 1965-8 (1988)


BindingDB Entry DOI: 10.7270/Q2NV9H7W
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Rattus norvegicus (Rat))
BDBM50020192
PNG
(8-(2,3-Dihydro-benzo[1,4]dioxin-2-ylmethyl)-1-phen...)
Show SMILES O=C1NCN(c2ccccc2)C11CCN(CC2COc3ccccc3O2)CC1
Show InChI InChI=1S/C22H25N3O3/c26-21-22(25(16-23-21)17-6-2-1-3-7-17)10-12-24(13-11-22)14-18-15-27-19-8-4-5-9-20(19)28-18/h1-9,18H,10-16H2,(H,23,26)
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PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



University of Arizona

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 1B receptor in rat was determined using 50 uL of [125I]-ICYP in binding assay


J Med Chem 31: 1965-8 (1988)


BindingDB Entry DOI: 10.7270/Q2NV9H7W
More data for this
Ligand-Target Pair