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Articleid 3897

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
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM25761
PNG
(Anapriline | Avlocardyl | CHEMBL27 | PROPANOLOL(-)...)
Show SMILES CC(C)NCC(O)COc1cccc2ccccc12
Show InChI InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3
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3n/an/an/an/an/an/an/an/a



The Medical University of Warsaw



Assay Description
Radioligand receptor binding studies were conducted in the rat brain.


Medicinal Chemistry Research 17: 507-514 (2008)


BindingDB Entry DOI: 10.7270/Q2Z036S7
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM31005
PNG
(2-methyl-1,2,3,4,10,14b-hexahydrodibenzo[c,f]pyraz...)
Show SMILES Cl.CN1CCN2C(C1)c1ccccc1Cc1ccccc21
Show InChI InChI=1S/C18H20N2.ClH/c1-19-10-11-20-17-9-5-3-7-15(17)12-14-6-2-4-8-16(14)18(20)13-19;/h2-9,18H,10-13H2,1H3;1H
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3.5n/an/an/an/an/an/an/an/a



The Medical University of Warsaw



Assay Description
Radioligand receptor binding studies were conducted in the rat brain.


Medicinal Chemistry Research 17: 507-514 (2008)


BindingDB Entry DOI: 10.7270/Q2Z036S7
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM10755
PNG
(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)
Show SMILES NCCc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
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90n/an/an/an/an/an/an/an/a



The Medical University of Warsaw



Assay Description
Radioligand receptor binding studies were conducted in the rat brain.


Medicinal Chemistry Research 17: 507-514 (2008)


BindingDB Entry DOI: 10.7270/Q2Z036S7
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM93102
PNG
(4-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]-4-...)
Show SMILES OC(CON1C(=O)C2C3CC(C=C3)C2C1=O)CN1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C22H27N3O4/c26-18(13-23-8-10-24(11-9-23)17-4-2-1-3-5-17)14-29-25-21(27)19-15-6-7-16(12-15)20(19)22(25)28/h1-7,15-16,18-20,26H,8-14H2
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336n/an/an/an/an/an/an/an/a



The Medical University of Warsaw



Assay Description
Radioligand receptor binding studies were conducted in the rat brain.


Medicinal Chemistry Research 17: 507-514 (2008)


BindingDB Entry DOI: 10.7270/Q2Z036S7
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM93102
PNG
(4-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]-4-...)
Show SMILES OC(CON1C(=O)C2C3CC(C=C3)C2C1=O)CN1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C22H27N3O4/c26-18(13-23-8-10-24(11-9-23)17-4-2-1-3-5-17)14-29-25-21(27)19-15-6-7-16(12-15)20(19)22(25)28/h1-7,15-16,18-20,26H,8-14H2
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370n/an/an/an/an/an/an/an/a



The Medical University of Warsaw



Assay Description
Radioligand receptor binding studies were conducted in the rat brain.


Medicinal Chemistry Research 17: 507-514 (2008)


BindingDB Entry DOI: 10.7270/Q2Z036S7
More data for this
Ligand-Target Pair
Adrenergic receptor beta


(Rattus norvegicus (Rat))
BDBM93102
PNG
(4-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]-4-...)
Show SMILES OC(CON1C(=O)C2C3CC(C=C3)C2C1=O)CN1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C22H27N3O4/c26-18(13-23-8-10-24(11-9-23)17-4-2-1-3-5-17)14-29-25-21(27)19-15-6-7-16(12-15)20(19)22(25)28/h1-7,15-16,18-20,26H,8-14H2
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3.85E+4n/an/an/an/an/an/an/an/a



The Medical University of Warsaw



Assay Description
Radioligand receptor binding studies were conducted in the rat brain.


Medicinal Chemistry Research 17: 507-514 (2008)


BindingDB Entry DOI: 10.7270/Q2Z036S7
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%