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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Serotonin (5-HT) receptor' and Ligand = 'BDBM50079939'   
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
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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PubMed
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
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