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PubMed code 1433205

Compile data set for download or QSAR
Found 8 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
Cerebral cortex alpha adrenergic receptor


(CALF)		BDBM50368446
PNG
(CHEMBL1203299)
Show SMILES CS(=O)(=O)Nc1ccc2OC3(CCN(CCc4ccccc4)CC3)CC(=O)c2c1
Show InChI InChI=1S/C22H26N2O4S/c1-29(26,27)23-18-7-8-21-19(15-18)20(25)16-22(28-21)10-13-24(14-11-22)12-9-17-5-3-2-4-6-17/h2-8,15,23H,9-14,16H2,1H3
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n/an/a 100n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity at bovine brain Alpha-1 adrenergic receptor in a filtration-based assay using [3H]prazosin as the radioli...

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More data for this
Ligand-Target Pair
Cerebral cortex alpha adrenergic receptor


(CALF)		BDBM50003331
PNG
(CHEMBL101322 | CHEMBL1204312 | N-[4-oxo-1'-[2-(2-p...)
Show SMILES CS(=O)(=O)Nc1ccc2OC3(CCN(CCc4ccccn4)CC3)CC(=O)c2c1
Show InChI InChI=1S/C21H25N3O4S/c1-29(26,27)23-17-5-6-20-18(14-17)19(25)15-21(28-20)8-12-24(13-9-21)11-7-16-4-2-3-10-22-16/h2-6,10,14,23H,7-9,11-13,15H2,1H3
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n/an/a 500n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity at bovine brain Alpha-1 adrenergic receptor in a filtration-based assay using [3H]prazosin as the radioli...

Citation and Details
More data for this
Ligand-Target Pair
Cerebral cortex alpha adrenergic receptor


(CALF)		BDBM50368441
PNG
(CHEMBL1203302)
Show SMILES CS(=O)(=O)Nc1ccc2OC3(CCN(CCc4ccc(cc4)[N+]([O-])=O)CC3)CC(=O)c2c1
Show InChI InChI=1S/C22H25N3O6S/c1-32(29,30)23-17-4-7-21-19(14-17)20(26)15-22(31-21)9-12-24(13-10-22)11-8-16-2-5-18(6-3-16)25(27)28/h2-7,14,23H,8-13,15H2,1H3
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n/an/a 900n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity at bovine brain Alpha-1 adrenergic receptor determined in a filtration-based assay using [3H]prazosin as ...

Citation and Details
More data for this
Ligand-Target Pair
Cerebral cortex alpha adrenergic receptor


(CALF)		BDBM50368442
PNG
(CHEMBL1203297)
Show SMILES CS(=O)(=O)Nc1ccc2OC3(CCN(CCc4ccc(cc4)C#N)CC3)CC(=O)c2c1
Show InChI InChI=1S/C23H25N3O4S/c1-31(28,29)25-19-6-7-22-20(14-19)21(27)15-23(30-22)9-12-26(13-10-23)11-8-17-2-4-18(16-24)5-3-17/h2-7,14,25H,8-13,15H2,1H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity at bovine brain Alpha-1 adrenergic receptor in a filtration-based assay using [3H]prazosin as the radioli...

Citation and Details
More data for this
Ligand-Target Pair
Cerebral cortex alpha adrenergic receptor


(CALF)		BDBM50003335
PNG
(CHEMBL1204345 | CHEMBL129583 | L-691121 | N-[1''-(...)
Show SMILES CS(=O)(=O)Nc1ccc2OC3(CCN(CCc4ccc5nonc5c4)CC3)CC(=O)c2c1
Show InChI InChI=1S/C22H24N4O5S/c1-32(28,29)25-16-3-5-21-17(13-16)20(27)14-22(30-21)7-10-26(11-8-22)9-6-15-2-4-18-19(12-15)24-31-23-18/h2-5,12-13,25H,6-11,14H2,1H3
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n/an/a 1.50E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity at bovine brain Alpha-1 adrenergic receptor in a filtration-based assay using [3H]prazosin as the radioli...

Citation and Details
More data for this
Ligand-Target Pair
Cerebral cortex alpha adrenergic receptor


(CALF)		BDBM50368447
PNG
(CHEMBL1203301)
Show SMILES CS(=O)(=O)Nc1ccc2OC3(CCN(CCc4ccc5nonc5c4)CC3)CC(O)c2c1
Show InChI InChI=1S/C22H26N4O5S/c1-32(28,29)25-16-3-5-21-17(13-16)20(27)14-22(30-21)7-10-26(11-8-22)9-6-15-2-4-18-19(12-15)24-31-23-18/h2-5,12-13,20,25,27H,6-11,14H2,1H3
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n/an/a 2.30E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity at bovine brain Alpha-1 adrenergic receptor in a filtration-based assay using [3H]prazosin as the radioli...

Citation and Details
More data for this
Ligand-Target Pair
Cerebral cortex alpha adrenergic receptor


(CALF)		BDBM50368445
PNG
(CHEMBL1203300)
Show SMILES CS(=O)(=O)Nc1ccc2OC3(CCN(CCc4ccc5nonc5c4)CC3)CCc2c1
Show InChI InChI=1S/C22H26N4O4S/c1-31(27,28)25-18-3-5-21-17(15-18)6-8-22(29-21)9-12-26(13-10-22)11-7-16-2-4-19-20(14-16)24-30-23-19/h2-5,14-15,25H,6-13H2,1H3
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n/an/a 3.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity at bovine brain Alpha-1 adrenergic receptor in a filtration-based assay using [3H]prazosin as the radioli...

Citation and Details
More data for this
Ligand-Target Pair
Cerebral cortex alpha adrenergic receptor


(CALF)		BDBM50368443
PNG
(CHEMBL1203296)
Show SMILES CS(=O)(=O)Nc1ccc(CCN2CCC3(CC2)CC(=O)c2cc(NS(C)(=O)=O)ccc2O3)cc1
Show InChI InChI=1S/C23H29N3O6S2/c1-33(28,29)24-18-5-3-17(4-6-18)9-12-26-13-10-23(11-14-26)16-21(27)20-15-19(25-34(2,30)31)7-8-22(20)32-23/h3-8,15,24-25H,9-14,16H2,1-2H3
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n/an/a 1.50E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for binding affinity at bovine brain Alpha-1 adrenergic receptor in a filtration-based assay using [3H]prazosin as the radioli...

Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%