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PubMed code 2900899

Compile data set for download or QSAR
Found 4 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
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor


(RAT-NEONATAL RAT-Rattus norvegicus (rat))		BDBM50020168
PNG
(1N-(2-methoxybenzyl)-6N-(2-{2-[6-(2-methoxybenzyla...)
Show SMILES COc1ccccc1CNCCCCCCNCCSSCCNCCCCCCNCc1ccccc1OC
Show InChI InChI=1S/C32H54N4O2S2/c1-37-31-17-9-7-15-29(31)27-35-21-13-5-3-11-19-33-23-25-39-40-26-24-34-20-12-4-6-14-22-36-28-30-16-8-10-18-32(30)38-2/h7-10,15-18,33-36H,3-6,11-14,19-28H2,1-2H3
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PC sid
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n/an/a 820n/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Alpha-2 adrenergic receptor blocking activity by antagonism of clonidine induced depression of twitch response of field stimulated prostatic portion ...

J Med Chem 31: 1861-6 (1988)


BindingDB Entry DOI: 10.7270/Q2HD7XVF
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor


(RAT-NEONATAL RAT-Rattus norvegicus (rat))		BDBM50227792
PNG
(CHEMBL55957)
Show SMILES COc1ccccc1CNCCCCCCCNCCSSCCNCCCCCCCNCc1ccccc1OC
Show InChI InChI=1S/C34H58N4O2S2/c1-39-33-19-11-9-17-31(33)29-37-23-15-7-3-5-13-21-35-25-27-41-42-28-26-36-22-14-6-4-8-16-24-38-30-32-18-10-12-20-34(32)40-2/h9-12,17-20,35-38H,3-8,13-16,21-30H2,1-2H3
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n/an/a 1.04E+3n/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Alpha-2 adrenergic receptor blocking activity by antagonism of clonidine induced depression of twitch response of field stimulated prostatic portion ...

J Med Chem 31: 1861-6 (1988)


BindingDB Entry DOI: 10.7270/Q2HD7XVF
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor


(RAT-NEONATAL RAT-Rattus norvegicus (rat))		BDBM50227794
PNG
(CHEMBL299486)
Show SMILES COc1ccccc1CNCCCCCCCCNCCSSCCNCCCCCCCCNCc1ccccc1OC
Show InChI InChI=1S/C36H62N4O2S2/c1-41-35-21-13-11-19-33(35)31-39-25-17-9-5-3-7-15-23-37-27-29-43-44-30-28-38-24-16-8-4-6-10-18-26-40-32-34-20-12-14-22-36(34)42-2/h11-14,19-22,37-40H,3-10,15-18,23-32H2,1-2H3
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n/an/a 1.22E+3n/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Alpha-2 adrenergic receptor blocking activity by antagonism of clonidine induced depression of twitch response of field stimulated prostatic portion ...

J Med Chem 31: 1861-6 (1988)


BindingDB Entry DOI: 10.7270/Q2HD7XVF
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]/Alpha-2B adrenergic receptor/Alpha-2C adrenergic receptor


(RAT-NEONATAL RAT-Rattus norvegicus (rat))		BDBM50227793
PNG
(CHEMBL301293)
Show SMILES COc1ccccc1CNCCCCCNCCSSCCNCCCCCNCc1ccccc1OC
Show InChI InChI=1S/C30H50N4O2S2/c1-35-29-15-7-5-13-27(29)25-33-19-11-3-9-17-31-21-23-37-38-24-22-32-18-10-4-12-20-34-26-28-14-6-8-16-30(28)36-2/h5-8,13-16,31-34H,3-4,9-12,17-26H2,1-2H3
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n/an/a 2.58E+4n/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


Assay Description
Alpha-2 adrenergic receptor blocking activity by antagonism of clonidine induced depression of twitch response of field stimulated prostatic portion ...

J Med Chem 31: 1861-6 (1988)


BindingDB Entry DOI: 10.7270/Q2HD7XVF
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%