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Compile Data Set for Download or QSAR

Found 67 hits of ic50 data for polymerid = 49000186,49000187,49000188,49000189,49000190,49000191,49000192,49000193   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cerebral cortex alpha adrenergic receptor


(CALF)
BDBM50064576
PNG
(7-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...)
Show SMILES COc1ccccc1N1CCN(CCc2ccc3N(C)C(=O)COc3c2)CC1
Show InChI InChI=1S/C22H27N3O3/c1-23-18-8-7-17(15-21(18)28-16-22(23)26)9-10-24-11-13-25(14-12-24)19-5-3-4-6-20(19)27-2/h3-8,15H,9-14,16H2,1-2H3
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n/an/a 0.5n/an/an/an/an/an/a



Institut de Chimie Pharmaceutique

Curated by ChEMBL


Assay Description
Affinity towards Alpha-1A adrenergic receptor in membranes from bovine frontal cortex using [3H]-prazosin


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


(CALF)
BDBM50064587
PNG
(6-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...)
Show SMILES COc1ccccc1N1CCN(CCc2ccc3[nH]c(=O)sc3c2)CC1
Show InChI InChI=1S/C20H23N3O2S/c1-25-18-5-3-2-4-17(18)23-12-10-22(11-13-23)9-8-15-6-7-16-19(14-15)26-20(24)21-16/h2-7,14H,8-13H2,1H3,(H,21,24)
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Institut de Chimie Pharmaceutique

Curated by ChEMBL


Assay Description
Affinity towards Alpha-1A adrenergic receptor in membranes from bovine frontal cortex using [3H]-prazosin


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


(CALF)
BDBM50064578
PNG
(6-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-...)
Show SMILES COc1ccccc1N1CCN(CCCCc2ccc3[nH]c(=O)sc3c2)CC1
Show InChI InChI=1S/C22H27N3O2S/c1-27-20-8-3-2-7-19(20)25-14-12-24(13-15-25)11-5-4-6-17-9-10-18-21(16-17)28-22(26)23-18/h2-3,7-10,16H,4-6,11-15H2,1H3,(H,23,26)
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Institut de Chimie Pharmaceutique

Curated by ChEMBL


Assay Description
Affinity towards Alpha-1A adrenergic receptor in membranes from bovine frontal cortex using [3H]-prazosin


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


(CALF)
BDBM50064580
PNG
(6-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-propyl}...)
Show SMILES COc1ccccc1N1CCN(CCCc2ccc3[nH]c(=O)sc3c2)CC1
Show InChI InChI=1S/C21H25N3O2S/c1-26-19-7-3-2-6-18(19)24-13-11-23(12-14-24)10-4-5-16-8-9-17-20(15-16)27-21(25)22-17/h2-3,6-9,15H,4-5,10-14H2,1H3,(H,22,25)
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Institut de Chimie Pharmaceutique

Curated by ChEMBL


Assay Description
Affinity towards Alpha-1A adrenergic receptor in membranes from bovine frontal cortex using [3H]-prazosin


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


(CALF)
BDBM50064583
PNG
(6-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-propyl}...)
Show SMILES COc1ccccc1N1CCN(CCCc2ccc3n(C)c(=O)sc3c2)CC1
Show InChI InChI=1S/C22H27N3O2S/c1-23-19-10-9-17(16-21(19)28-22(23)26)6-5-11-24-12-14-25(15-13-24)18-7-3-4-8-20(18)27-2/h3-4,7-10,16H,5-6,11-15H2,1-2H3
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Institut de Chimie Pharmaceutique

Curated by ChEMBL


Assay Description
Affinity towards Alpha-1A adrenergic receptor in membranes from bovine frontal cortex using [3H]-prazosin


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


(CALF)
BDBM50064588
PNG
(6-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...)
Show SMILES COc1ccccc1N1CCN(CCc2ccc3n(C)c(=O)sc3c2)CC1
Show InChI InChI=1S/C21H25N3O2S/c1-22-18-8-7-16(15-20(18)27-21(22)25)9-10-23-11-13-24(14-12-23)17-5-3-4-6-19(17)26-2/h3-8,15H,9-14H2,1-2H3
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Institut de Chimie Pharmaceutique

Curated by ChEMBL


Assay Description
Affinity towards Alpha-1A adrenergic receptor in membranes from bovine frontal cortex using [3H]-prazosin


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


(CALF)
BDBM50057463
PNG
(1-[4-(4-Amino-6,7-dimethoxy-quinazolin-2-yl)-piper...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)COc1c(OC)cccc1C(C)C
Show InChI InChI=1S/C26H33N5O5/c1-16(2)17-7-6-8-20(33-3)24(17)36-15-23(32)30-9-11-31(12-10-30)26-28-19-14-22(35-5)21(34-4)13-18(19)25(27)29-26/h6-8,13-14,16H,9-12,15H2,1-5H3,(H2,27,28,29)
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n/an/a 17n/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
Binding affinity was tested on cloned bovine Alpha-1A adrenergic receptor


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


(CALF)
BDBM50064577
PNG
(7-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-...)
Show SMILES COc1ccccc1N1CCN(CCCCc2ccc3N(C)C(=O)COc3c2)CC1
Show InChI InChI=1S/C24H31N3O3/c1-25-20-11-10-19(17-23(20)30-18-24(25)28)7-5-6-12-26-13-15-27(16-14-26)21-8-3-4-9-22(21)29-2/h3-4,8-11,17H,5-7,12-16,18H2,1-2H3
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Institut de Chimie Pharmaceutique

Curated by ChEMBL


Assay Description
Affinity towards Alpha-1A adrenergic receptor in membranes from bovine frontal cortex using [3H]-prazosin


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


(CALF)
BDBM21398
PNG
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)
Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2
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Institut de Chimie Pharmaceutique

Curated by ChEMBL


Assay Description
Affinity towards Alpha-1A adrenergic receptor in membranes from bovine frontal cortex using [3H]-prazosin


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


(CALF)
BDBM50064584
PNG
(4-Methyl-7-{4-[4-(3-trifluoromethyl-phenyl)-pipera...)
Show SMILES CN1C(=O)COc2cc(CCCCN3CCN(CC3)c3cccc(c3)C(F)(F)F)ccc12
Show InChI InChI=1S/C24H28F3N3O2/c1-28-21-9-8-18(15-22(21)32-17-23(28)31)5-2-3-10-29-11-13-30(14-12-29)20-7-4-6-19(16-20)24(25,26)27/h4,6-9,15-16H,2-3,5,10-14,17H2,1H3
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Institut de Chimie Pharmaceutique

Curated by ChEMBL


Assay Description
Affinity towards Alpha-1A adrenergic receptor in membranes from bovine frontal cortex using [3H]-prazosin


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


(CALF)
BDBM50064589
PNG
(6-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-...)
Show SMILES COc1ccccc1N1CCN(CCCCc2ccc3n(C)c(=O)sc3c2)CC1
Show InChI InChI=1S/C23H29N3O2S/c1-24-20-11-10-18(17-22(20)29-23(24)27)7-5-6-12-25-13-15-26(16-14-25)19-8-3-4-9-21(19)28-2/h3-4,8-11,17H,5-7,12-16H2,1-2H3
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Institut de Chimie Pharmaceutique

Curated by ChEMBL


Assay Description
Affinity towards Alpha-1A adrenergic receptor in membranes from bovine frontal cortex using [3H]-prazosin


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


(CALF)
BDBM50064579
PNG
(6-{2-[4-(4-Fluoro-phenyl)-piperazin-1-yl]-ethyl}-3...)
Show SMILES Cn1c2ccc(CCN3CCN(CC3)c3ccc(F)cc3)cc2sc1=O
Show InChI InChI=1S/C20H22FN3OS/c1-22-18-7-2-15(14-19(18)26-20(22)25)8-9-23-10-12-24(13-11-23)17-5-3-16(21)4-6-17/h2-7,14H,8-13H2,1H3
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Institut de Chimie Pharmaceutique

Curated by ChEMBL


Assay Description
Affinity towards Alpha-1A adrenergic receptor in membranes from bovine frontal cortex using [3H]-prazosin


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


(CALF)
BDBM50064590
PNG
(6-{4-[4-(3-Trifluoromethyl-phenyl)-piperazin-1-yl]...)
Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCCCc2ccc3[nH]c(=O)sc3c2)CC1
Show InChI InChI=1S/C22H24F3N3OS/c23-22(24,25)17-5-3-6-18(15-17)28-12-10-27(11-13-28)9-2-1-4-16-7-8-19-20(14-16)30-21(29)26-19/h3,5-8,14-15H,1-2,4,9-13H2,(H,26,29)
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Institut de Chimie Pharmaceutique

Curated by ChEMBL


Assay Description
Affinity towards Alpha-1A adrenergic receptor in membranes from bovine frontal cortex using [3H]-prazosin


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


(CALF)
BDBM50064574
PNG
(4-Methyl-7-{2-[4-(3-trifluoromethyl-phenyl)-pipera...)
Show SMILES CN1C(=O)COc2cc(CCN3CCN(CC3)c3cccc(c3)C(F)(F)F)ccc12
Show InChI InChI=1S/C22H24F3N3O2/c1-26-19-6-5-16(13-20(19)30-15-21(26)29)7-8-27-9-11-28(12-10-27)18-4-2-3-17(14-18)22(23,24)25/h2-6,13-14H,7-12,15H2,1H3
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n/an/a 85n/an/an/an/an/an/a



Institut de Chimie Pharmaceutique

Curated by ChEMBL


Assay Description
Affinity towards Alpha-1A adrenergic receptor in membranes from bovine frontal cortex using [3H]-prazosin


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


(CALF)
BDBM50064573
PNG
(6-{2-[4-(3-Trifluoromethyl-phenyl)-piperazin-1-yl]...)
Show SMILES FC(F)(F)c1cccc(c1)N1CCN(CCc2ccc3[nH]c(=O)sc3c2)CC1
Show InChI InChI=1S/C20H20F3N3OS/c21-20(22,23)15-2-1-3-16(13-15)26-10-8-25(9-11-26)7-6-14-4-5-17-18(12-14)28-19(27)24-17/h1-5,12-13H,6-11H2,(H,24,27)
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Institut de Chimie Pharmaceutique

Curated by ChEMBL


Assay Description
Affinity towards Alpha-1A adrenergic receptor in membranes from bovine frontal cortex using [3H]-prazosin


Citation and Details
More data for this
Ligand-Target Pair
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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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...


J Med Chem 35: 3973-6 (1992)

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


(CALF)
BDBM50064572
PNG
(3-Methyl-6-[2-(4-phenyl-piperazin-1-yl)-ethyl]-3H-...)
Show SMILES Cn1c2ccc(CCN3CCN(CC3)c3ccccc3)cc2sc1=O
Show InChI InChI=1S/C20H23N3OS/c1-21-18-8-7-16(15-19(18)25-20(21)24)9-10-22-11-13-23(14-12-22)17-5-3-2-4-6-17/h2-8,15H,9-14H2,1H3
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Institut de Chimie Pharmaceutique

Curated by ChEMBL


Assay Description
Affinity towards Alpha-1A adrenergic receptor in membranes from bovine frontal cortex using [3H]-prazosin


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


(CALF)
BDBM50001884
PNG
(2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...)
Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12
Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3
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Institut de Chimie Pharmaceutique

Curated by ChEMBL


Assay Description
Affinity towards Alpha-1A adrenergic receptor in membranes from bovine frontal cortex using [3H]-prazosin


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


(CALF)
BDBM50064581
PNG
(3-Methyl-6-{4-[4-(3-trifluoromethyl-phenyl)-pipera...)
Show SMILES Cn1c2ccc(CCCCN3CCN(CC3)c3cccc(c3)C(F)(F)F)cc2sc1=O
Show InChI InChI=1S/C23H26F3N3OS/c1-27-20-9-8-17(15-21(20)31-22(27)30)5-2-3-10-28-11-13-29(14-12-28)19-7-4-6-18(16-19)23(24,25)26/h4,6-9,15-16H,2-3,5,10-14H2,1H3
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Institut de Chimie Pharmaceutique

Curated by ChEMBL


Assay Description
Affinity towards Alpha-1A adrenergic receptor in membranes from bovine frontal cortex using [3H]-prazosin


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


(CALF)
BDBM50064586
PNG
(3-Methyl-6-{2-[4-(3-trifluoromethyl-phenyl)-pipera...)
Show SMILES Cn1c2ccc(CCN3CCN(CC3)c3cccc(c3)C(F)(F)F)cc2sc1=O
Show InChI InChI=1S/C21H22F3N3OS/c1-25-18-6-5-15(13-19(18)29-20(25)28)7-8-26-9-11-27(12-10-26)17-4-2-3-16(14-17)21(22,23)24/h2-6,13-14H,7-12H2,1H3
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Institut de Chimie Pharmaceutique

Curated by ChEMBL


Assay Description
Affinity towards Alpha-1A adrenergic receptor in membranes from bovine frontal cortex using [3H]-prazosin


Citation and Details
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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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...


J Med Chem 35: 3973-6 (1992)

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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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 ...


J Med Chem 35: 3973-6 (1992)

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


(CALF)
BDBM50057486
PNG
(2-[1-(3,4-Dimethoxy-benzyl)-6,7-dimethoxy-3,4-dihy...)
Show SMILES COc1ccc(CC2N(CCc3cc(OC)c(OC)cc23)c2nc(N)c3cc(OC)c(OC)cc3n2)cc1OC
Show InChI InChI=1S/C30H34N4O6/c1-35-23-8-7-17(12-24(23)36-2)11-22-19-14-26(38-4)25(37-3)13-18(19)9-10-34(22)30-32-21-16-28(40-6)27(39-5)15-20(21)29(31)33-30/h7-8,12-16,22H,9-11H2,1-6H3,(H2,31,32,33)
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n/an/a 950n/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
Binding affinity was tested on cloned bovine Alpha-1A adrenergic receptor


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...


J Med Chem 35: 3973-6 (1992)

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


(CALF)
BDBM50036868
PNG
(2-{4-[(5-Methoxy-chroman-3-yl)-propyl-amino]-butyl...)
Show SMILES CCCN(CCCCN1C(=O)c2ccccc2S1(=O)=O)C1COc2cccc(OC)c2C1
Show InChI InChI=1S/C24H30N2O5S/c1-3-13-25(18-16-20-21(30-2)10-8-11-22(20)31-17-18)14-6-7-15-26-24(27)19-9-4-5-12-23(19)32(26,28)29/h4-5,8-12,18H,3,6-7,13-17H2,1-2H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Binding affinity against alpha-1 adrenergic receptor in calf frontal cortex


J Med Chem 37: 1779-93 (1994)

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


(CALF)
BDBM50005127
PNG
(1,1-Dioxo-2-[4-(4-pyrimidin-2-yl-piperazin-1-yl)-b...)
Show SMILES O=C1N(CCCCN2CCN(CC2)c2ncccn2)S(=O)(=O)c2ccccc12
Show InChI InChI=1S/C19H23N5O3S/c25-18-16-6-1-2-7-17(16)28(26,27)24(18)11-4-3-10-22-12-14-23(15-13-22)19-20-8-5-9-21-19/h1-2,5-9H,3-4,10-15H2
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n/an/a 1.20E+3n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Binding affinity against alpha-1 adrenergic receptor in calf frontal cortex


J Med Chem 37: 1779-93 (1994)

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...


J Med Chem 35: 3973-6 (1992)

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


(CALF)
BDBM50036874
PNG
(4-Fluoro-N-{4-[(5-methoxy-chroman-3-yl)-propyl-ami...)
Show SMILES CCCN(CCCCNC(=O)c1ccc(F)cc1)C1COc2cccc(OC)c2C1
Show InChI InChI=1S/C24H31FN2O3/c1-3-14-27(20-16-21-22(29-2)7-6-8-23(21)30-17-20)15-5-4-13-26-24(28)18-9-11-19(25)12-10-18/h6-12,20H,3-5,13-17H2,1-2H3,(H,26,28)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Binding affinity against alpha-1 adrenergic receptor in calf frontal cortex


J Med Chem 37: 1779-93 (1994)

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


(CALF)
BDBM50036853
PNG
((2,3-Dihydro-1H-benzo[f]chromen-2-yl)-dipropyl-ami...)
Show SMILES CCCN(CCC)C1COc2ccc3ccccc3c2C1
Show InChI InChI=1S/C19H25NO/c1-3-11-20(12-4-2)16-13-18-17-8-6-5-7-15(17)9-10-19(18)21-14-16/h5-10,16H,3-4,11-14H2,1-2H3
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Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Binding affinity against alpha-1 adrenergic receptor in calf frontal cortex


J Med Chem 37: 1779-93 (1994)

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...


J Med Chem 35: 3973-6 (1992)

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


(CALF)
BDBM50036857
PNG
(2-Methoxy-N-{4-[(5-methoxy-chroman-3-yl)-propyl-am...)
Show SMILES CCCN(CCCCNC(=O)c1ccccc1OC)C1COc2cccc(OC)c2C1
Show InChI InChI=1S/C25H34N2O4/c1-4-15-27(19-17-21-23(30-3)12-9-13-24(21)31-18-19)16-8-7-14-26-25(28)20-10-5-6-11-22(20)29-2/h5-6,9-13,19H,4,7-8,14-18H2,1-3H3,(H,26,28)
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n/an/a 3.00E+3n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Binding affinity against alpha-1 adrenergic receptor in calf frontal cortex


J Med Chem 37: 1779-93 (1994)

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


(CALF)
BDBM50036859
PNG
(CHEMBL300735 | N-{4-[(5-Methoxy-chroman-3-yl)-prop...)
Show SMILES CCCN(CCCCNS(=O)(=O)c1ccc(C)cc1)C1COc2cccc(OC)c2C1
Show InChI InChI=1S/C24H34N2O4S/c1-4-15-26(20-17-22-23(29-3)8-7-9-24(22)30-18-20)16-6-5-14-25-31(27,28)21-12-10-19(2)11-13-21/h7-13,20,25H,4-6,14-18H2,1-3H3
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Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Binding affinity against alpha-1 adrenergic receptor in calf frontal cortex


J Med Chem 37: 1779-93 (1994)

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


(CALF)
BDBM50036847
PNG
(CHEMBL54266 | N-{3-[(5-Methoxy-chroman-3-yl)-propy...)
Show SMILES CCCN(CCCNS(=O)(=O)c1ccc(C)cc1)C1COc2cccc(OC)c2C1
Show InChI InChI=1S/C23H32N2O4S/c1-4-14-25(19-16-21-22(28-3)7-5-8-23(21)29-17-19)15-6-13-24-30(26,27)20-11-9-18(2)10-12-20/h5,7-12,19,24H,4,6,13-17H2,1-3H3
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Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Binding affinity against alpha-1 adrenergic receptor in calf frontal cortex


J Med Chem 37: 1779-93 (1994)

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


(CALF)
BDBM50036866
PNG
(3-{4-[(5-Methoxy-chroman-3-yl)-propyl-amino]-butyl...)
Show SMILES CCCN(CCCCn1c2ncccc2oc1=O)C1COc2cccc(OC)c2C1
Show InChI InChI=1S/C23H29N3O4/c1-3-12-25(17-15-18-19(28-2)8-6-9-20(18)29-16-17)13-4-5-14-26-22-21(30-23(26)27)10-7-11-24-22/h6-11,17H,3-5,12-16H2,1-2H3
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Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Binding affinity against alpha-1 adrenergic receptor in calf frontal cortex


J Med Chem 37: 1779-93 (1994)

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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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...


J Med Chem 35: 3973-6 (1992)

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


(CALF)
BDBM50036859
PNG
(CHEMBL300735 | N-{4-[(5-Methoxy-chroman-3-yl)-prop...)
Show SMILES CCCN(CCCCNS(=O)(=O)c1ccc(C)cc1)C1COc2cccc(OC)c2C1
Show InChI InChI=1S/C24H34N2O4S/c1-4-15-26(20-17-22-23(29-3)8-7-9-24(22)30-18-20)16-6-5-14-25-31(27,28)21-12-10-19(2)11-13-21/h7-13,20,25H,4-6,14-18H2,1-3H3
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n/an/a 3.00E+3n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Binding affinity against alpha-1 adrenergic receptor in calf frontal cortex


J Med Chem 37: 1779-93 (1994)

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


(CALF)
BDBM50036852
PNG
(2-{4-[(5-Methoxy-chroman-3-yl)-propyl-amino]-butyl...)
Show SMILES CCCN(CCCCN1C(=O)C2CCCC2C1=O)C1COc2cccc(OC)c2C1
Show InChI InChI=1S/C24H34N2O4/c1-3-12-25(17-15-20-21(29-2)10-7-11-22(20)30-16-17)13-4-5-14-26-23(27)18-8-6-9-19(18)24(26)28/h7,10-11,17-19H,3-6,8-9,12-16H2,1-2H3
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Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Binding affinity against alpha-1 adrenergic receptor in calf frontal cortex


J Med Chem 37: 1779-93 (1994)

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


(CALF)
BDBM50036862
PNG
((5-Methoxy-chroman-3-yl)-dipropyl-amine | CHEMBL28...)
Show SMILES CCCN(CCC)C1COc2cccc(OC)c2C1
Show InChI InChI=1S/C16H25NO2/c1-4-9-17(10-5-2)13-11-14-15(18-3)7-6-8-16(14)19-12-13/h6-8,13H,4-5,9-12H2,1-3H3
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n/an/a 3.50E+3n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Binding affinity against alpha-1 adrenergic receptor in calf frontal cortex


J Med Chem 37: 1779-93 (1994)

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


(CALF)
BDBM50036861
PNG
(2-{3-[(5-Methoxy-chroman-3-yl)-propyl-amino]-propy...)
Show SMILES CCCN(CCCN1C(=O)c2ccccc2C1=O)C1COc2cccc(OC)c2C1
Show InChI InChI=1S/C24H28N2O4/c1-3-12-25(17-15-20-21(29-2)10-6-11-22(20)30-16-17)13-7-14-26-23(27)18-8-4-5-9-19(18)24(26)28/h4-6,8-11,17H,3,7,12-16H2,1-2H3
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n/an/a 4.00E+3n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Binding affinity against alpha-1 adrenergic receptor in calf frontal cortex


J Med Chem 37: 1779-93 (1994)

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


(CALF)
BDBM50036855
PNG
(2-{4-[(5-Methoxy-chroman-3-yl)-propyl-amino]-butyl...)
Show SMILES CCCN(CCCCN1CC2CCCC2C1=O)C1COc2cccc(OC)c2C1
Show InChI InChI=1S/C24H36N2O3/c1-3-12-25(19-15-21-22(28-2)10-7-11-23(21)29-17-19)13-4-5-14-26-16-18-8-6-9-20(18)24(26)27/h7,10-11,18-20H,3-6,8-9,12-17H2,1-2H3
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n/an/a 5.00E+3n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Binding affinity against alpha-1 adrenergic receptor in calf frontal cortex


J Med Chem 37: 1779-93 (1994)

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


(CALF)
BDBM50036846
PNG
((5-Methoxy-chroman-3-yl)-(4-piperidin-1-yl-butyl)-...)
Show SMILES CCCN(CCCCN1CCCCC1)C1COc2cccc(OC)c2C1
Show InChI InChI=1S/C22H36N2O2/c1-3-12-24(16-8-7-15-23-13-5-4-6-14-23)19-17-20-21(25-2)10-9-11-22(20)26-18-19/h9-11,19H,3-8,12-18H2,1-2H3
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Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Binding affinity against alpha-1 adrenergic receptor in calf frontal cortex


J Med Chem 37: 1779-93 (1994)

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


(CALF)
BDBM50036873
PNG
(8-{5-[(5-Methoxy-chroman-3-yl)-propyl-amino]-penty...)
Show SMILES CCCN(CCCCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2cccc(OC)c2C1
Show InChI InChI=1S/C27H40N2O4/c1-3-14-28(21-17-22-23(32-2)10-9-11-24(22)33-20-21)15-7-4-8-16-29-25(30)18-27(19-26(29)31)12-5-6-13-27/h9-11,21H,3-8,12-20H2,1-2H3
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Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Binding affinity against alpha-1 adrenergic receptor in calf frontal cortex


J Med Chem 37: 1779-93 (1994)

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


(CALF)
BDBM50036844
PNG
(2-{4-[(5-Methoxy-chroman-3-yl)-propyl-amino]-butyl...)
Show SMILES CCCN(CCCCN1C(=O)c2ccccc2C1=O)C1COc2cccc(OC)c2C1
Show InChI InChI=1S/C25H30N2O4/c1-3-13-26(18-16-21-22(30-2)11-8-12-23(21)31-17-18)14-6-7-15-27-24(28)19-9-4-5-10-20(19)25(27)29/h4-5,8-12,18H,3,6-7,13-17H2,1-2H3
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Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Binding affinity against alpha-1 adrenergic receptor in calf frontal cortex


J Med Chem 37: 1779-93 (1994)

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


(CALF)
BDBM50036849
PNG
(1-{4-[(5-Methoxy-chroman-3-yl)-propyl-amino]-butyl...)
Show SMILES CCCN(CCCCN1C(=O)CC(C)(C)CC1=O)C1COc2cccc(OC)c2C1
Show InChI InChI=1S/C24H36N2O4/c1-5-11-25(18-14-19-20(29-4)9-8-10-21(19)30-17-18)12-6-7-13-26-22(27)15-24(2,3)16-23(26)28/h8-10,18H,5-7,11-17H2,1-4H3
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n/an/a 6.00E+3n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Binding affinity against alpha-1 adrenergic receptor in calf frontal cortex


J Med Chem 37: 1779-93 (1994)

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


(CALF)
BDBM50036851
PNG
(8-[4-(Chroman-3-yl-propyl-amino)-butyl]-8-aza-spir...)
Show SMILES CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2ccccc2C1
Show InChI InChI=1S/C25H36N2O3/c1-2-13-26(21-16-20-9-3-4-10-22(20)30-19-21)14-7-8-15-27-23(28)17-25(18-24(27)29)11-5-6-12-25/h3-4,9-10,21H,2,5-8,11-19H2,1H3
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n/an/a 7.00E+3n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Binding affinity against alpha-1 adrenergic receptor in calf frontal cortex


J Med Chem 37: 1779-93 (1994)

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


(CALF)
BDBM50036856
PNG
(8-{3-[(5-Methoxy-chroman-3-yl)-propyl-amino]-propy...)
Show SMILES CCCN(CCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2cccc(OC)c2C1
Show InChI InChI=1S/C25H36N2O4/c1-3-12-26(19-15-20-21(30-2)8-6-9-22(20)31-18-19)13-7-14-27-23(28)16-25(17-24(27)29)10-4-5-11-25/h6,8-9,19H,3-5,7,10-18H2,1-2H3
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n/an/a 8.00E+3n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Binding affinity against alpha-1 adrenergic receptor in calf frontal cortex


J Med Chem 37: 1779-93 (1994)

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


(CALF)
BDBM50036852
PNG
(2-{4-[(5-Methoxy-chroman-3-yl)-propyl-amino]-butyl...)
Show SMILES CCCN(CCCCN1C(=O)C2CCCC2C1=O)C1COc2cccc(OC)c2C1
Show InChI InChI=1S/C24H34N2O4/c1-3-12-25(17-15-20-21(29-2)10-7-11-22(20)30-16-17)13-4-5-14-26-23(27)18-8-6-9-19(18)24(26)28/h7,10-11,17-19H,3-6,8-9,12-16H2,1-2H3
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n/an/a 8.00E+3n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Binding affinity against alpha-1 adrenergic receptor in calf frontal cortex


J Med Chem 37: 1779-93 (1994)

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


(CALF)
BDBM50036865
PNG
(8-{3-[(5-Methoxy-chroman-3-yl)-propyl-amino]-propo...)
Show SMILES CCCN(CCCON1C(=O)CC2(CCCC2)CC1=O)C1COc2cccc(OC)c2C1
Show InChI InChI=1S/C25H36N2O5/c1-3-12-26(19-15-20-21(30-2)8-6-9-22(20)31-18-19)13-7-14-32-27-23(28)16-25(17-24(27)29)10-4-5-11-25/h6,8-9,19H,3-5,7,10-18H2,1-2H3
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n/an/a 9.00E+3n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Binding affinity against alpha-1 adrenergic receptor in calf frontal cortex


J Med Chem 37: 1779-93 (1994)

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


(CALF)
BDBM50036858
PNG
((5-Methoxy-chroman-3-yl)-(4-morpholin-4-yl-butyl)-...)
Show SMILES CCCN(CCCCN1CCOCC1)C1COc2cccc(OC)c2C1
Show InChI InChI=1S/C21H34N2O3/c1-3-9-23(11-5-4-10-22-12-14-25-15-13-22)18-16-19-20(24-2)7-6-8-21(19)26-17-18/h6-8,18H,3-5,9-17H2,1-2H3
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n/an/a 1.00E+4n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Binding affinity against alpha-1 adrenergic receptor in calf frontal cortex


J Med Chem 37: 1779-93 (1994)

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


(CALF)
BDBM50036850
PNG
(8-{4-[(5-Hydroxy-chroman-3-yl)-propyl-amino]-butyl...)
Show SMILES CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2cccc(O)c2C1
Show InChI InChI=1S/C25H36N2O4/c1-2-12-26(19-15-20-21(28)8-7-9-22(20)31-18-19)13-5-6-14-27-23(29)16-25(17-24(27)30)10-3-4-11-25/h7-9,19,28H,2-6,10-18H2,1H3
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n/an/a 1.00E+4n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Binding affinity against alpha-1 adrenergic receptor in calf frontal cortex


J Med Chem 37: 1779-93 (1994)

More data for this
Ligand-Target Pair
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