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Compile Data Set for Download or QSAR

Found 127 hits of ic50 data for polymerid = 6432   
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
Alpha adrenergic receptor 1A and 1B


(Rattus norvegicus (Rat))
BDBM50079527
PNG
((3E)-3-dibenzo[b,e]oxepin-11(6H)-ylidene-N,N-dimet...)
Show SMILES CN(C)CC\C=C1\c2ccccc2COc2ccccc12
Show InChI InChI=1S/C19H21NO/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3/b17-11-
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n/an/a 0.0100n/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Compound was tested for its inhibitory activity against Alpha-1 adrenergic receptor


Citation and Details
More data for this
Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B


(Rattus norvegicus (Rat))
BDBM50020712
PNG
(10,11-dihydro-5-(gamma-dimethylaminopropylidene)-5...)
Show SMILES CN(C)CCC=C1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C20H23N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12H,7,13-15H2,1-2H3
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n/an/a 0.0200n/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Compound was tested for its inhibitory activity against Alpha-1 adrenergic receptor


Citation and Details
More data for this
Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B


(Rattus norvegicus (Rat))
BDBM77970
PNG
(3-(2-chloranyl-5,6-dihydrobenzo[b][1]benzazepin-11...)
Show SMILES CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc12
Show InChI InChI=1S/C19H23ClN2/c1-21(2)12-5-13-22-18-7-4-3-6-15(18)8-9-16-10-11-17(20)14-19(16)22/h3-4,6-7,10-11,14H,5,8-9,12-13H2,1-2H3
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n/an/a 0.0400n/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Compound was tested for its inhibitory activity against Alpha-1 adrenergic receptor


Citation and Details
More data for this
Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B


(Rattus norvegicus (Rat))
BDBM112777
PNG
(NORTRIPTYLINE | US8629135, SW-02)
Show SMILES CNCCC=C1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C19H21N/c1-20-14-6-11-19-17-9-4-2-7-15(17)12-13-16-8-3-5-10-18(16)19/h2-5,7-11,20H,6,12-14H2,1H3
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n/an/a 0.0400n/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Compound was tested for its inhibitory activity against Alpha-1 adrenergic receptor


Citation and Details
More data for this
Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B


(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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n/an/a 0.0700n/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Compound was tested for its inhibitory activity against Alpha-1 adrenergic receptor


Citation and Details
More data for this
Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B


(Rattus norvegicus (Rat))
BDBM35229
PNG
(3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N-met...)
Show SMILES CNCCCN1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C18H22N2/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20/h2-5,7-10,19H,6,11-14H2,1H3
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n/an/a 0.25n/an/an/an/an/an/a



Universidad de Valencia

Curated by ChEMBL


Assay Description
Compound was tested for its inhibitory activity against Alpha-1 adrenergic receptor


Citation and Details
More data for this
Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B


(Rattus norvegicus (Rat))
BDBM29568
PNG
(CHEMBL2 | PRAZOSIN | PRAZOSIN HYDROCHLORIDE | [3H]...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1
Show InChI InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)
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n/an/a 0.254n/an/an/an/an/an/a



Dipartimento di Scienze Farmaceutiche

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from adrenergic alpha1A receptor in Wistar rat submaxillary gland after 60 mins


Citation and Details
More data for this
Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B


(Rattus norvegicus (Rat))
BDBM50393116
PNG
(CHEMBL2153423)
Show SMILES COc1ccccc1N1CCN(CCc2ccc3OCOc3c2)CC1
Show InChI InChI=1S/C20H24N2O3/c1-23-18-5-3-2-4-17(18)22-12-10-21(11-13-22)9-8-16-6-7-19-20(14-16)25-15-24-19/h2-7,14H,8-13,15H2,1H3
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n/an/a 0.269n/an/an/an/an/an/a



Universidade Federal do Rio de Janeiro

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from rat salivary gland adrenergic alpha 1A receptor after 45 mins by liquid scintillation counter


Citation and Details
More data for this
Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B


(Rattus norvegicus (Rat))
BDBM50057456
PNG
(3-Methyl-4-oxo-2-phenyl-4H-chromene-8-carboxylic a...)
Show SMILES CC(C)Oc1ccccc1N1CCN(CCCNC(=O)c2cccc3c2oc(c(C)c3=O)-c2ccccc2)CC1
Show InChI InChI=1S/C33H37N3O4/c1-23(2)39-29-16-8-7-15-28(29)36-21-19-35(20-22-36)18-10-17-34-33(38)27-14-9-13-26-30(37)24(3)31(40-32(26)27)25-11-5-4-6-12-25/h4-9,11-16,23H,10,17-22H2,1-3H3,(H,34,38)
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n/an/a 1n/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
Binding affinity was tested on CEC-pretreated rat hippocampus Alpha-1A adrenergic receptor


Citation and Details
More data for this
Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B


(Rattus norvegicus (Rat))
BDBM50057449
PNG
(3-Methyl-4-oxo-2-phenyl-4H-chromene-8-carboxylic a...)
Show SMILES Cc1ccc(Cl)cc1N1CCN(CCCNC(=O)c2cccc3c2oc(c(C)c3=O)-c2ccccc2)CC1
Show InChI InChI=1S/C31H32ClN3O3/c1-21-12-13-24(32)20-27(21)35-18-16-34(17-19-35)15-7-14-33-31(37)26-11-6-10-25-28(36)22(2)29(38-30(25)26)23-8-4-3-5-9-23/h3-6,8-13,20H,7,14-19H2,1-2H3,(H,33,37)
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n/an/a 1n/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
Binding affinity was tested on CEC-pretreated rat hippocampus Alpha-1A adrenergic receptor


Citation and Details
More data for this
Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B


(Rattus norvegicus (Rat))
BDBM50057462
PNG
(8-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyryl...)
Show SMILES COc1ccccc1N1CCN(CCCC(=O)c2cccc3c2oc(-c2ccccc2)c(C)c3=O)CC1
Show InChI InChI=1S/C31H32N2O4/c1-22-29(35)25-13-8-12-24(31(25)37-30(22)23-10-4-3-5-11-23)27(34)15-9-17-32-18-20-33(21-19-32)26-14-6-7-16-28(26)36-2/h3-8,10-14,16H,9,15,17-21H2,1-2H3
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n/an/a 1.5n/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
Binding affinity was tested on CEC-pretreated rat hippocampus Alpha-1A adrenergic receptor


Citation and Details
More data for this
Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B


(Rattus norvegicus (Rat))
BDBM50010859
PNG
(CHEMBL11 | IMIPRAMINE HYDROCHLORIDE | IMIPRAMINE P...)
Show SMILES CN(C)CCCN1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C19H24N2/c1-20(2)14-7-15-21-18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)21/h3-6,8-11H,7,12-15H2,1-2H3
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n/an/a 1.70n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]imipramine to imipramine receptor in rat brain


J Med Chem 33: 2899-905 (1990)

More data for this
Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B


(Rattus norvegicus (Rat))
BDBM50057465
PNG
(3-Methyl-4-oxo-2-phenyl-4H-chromene-8-carboxylic a...)
Show SMILES COc1ccccc1N1CCN(CCCNC(=O)c2cccc3c2oc(c(C)c3=O)-c2ccccc2)CC1
Show InChI InChI=1S/C31H33N3O4/c1-22-28(35)24-12-8-13-25(30(24)38-29(22)23-10-4-3-5-11-23)31(36)32-16-9-17-33-18-20-34(21-19-33)26-14-6-7-15-27(26)37-2/h3-8,10-15H,9,16-21H2,1-2H3,(H,32,36)
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n/an/a 2n/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
Binding affinity was tested on CEC-pretreated rat hippocampus Alpha-1A adrenergic receptor


Citation and Details
More data for this
Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B


(Rattus norvegicus (Rat))
BDBM50001786
PNG
(1-(2-{4-[5-chloro-1-(4-fluorophenyl)-1H-indol-3-yl...)
Show SMILES Fc1ccc(cc1)-n1cc(C2CCN(CCN3CCNC3=O)CC2)c2cc(Cl)ccc12
Show InChI InChI=1S/C24H26ClFN4O/c25-18-1-6-23-21(15-18)22(16-30(23)20-4-2-19(26)3-5-20)17-7-10-28(11-8-17)13-14-29-12-9-27-24(29)31/h1-6,15-17H,7-14H2,(H,27,31)
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n/an/a 3.40n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity to the alpha-1 adrenergic receptor using a radioligand [3H]-prazosin binding assay in rat brain membranes


Citation and Details
More data for this
Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B


(Rattus norvegicus (Rat))
BDBM50001786
PNG
(1-(2-{4-[5-chloro-1-(4-fluorophenyl)-1H-indol-3-yl...)
Show SMILES Fc1ccc(cc1)-n1cc(C2CCN(CCN3CCNC3=O)CC2)c2cc(Cl)ccc12
Show InChI InChI=1S/C24H26ClFN4O/c25-18-1-6-23-21(15-18)22(16-30(23)20-4-2-19(26)3-5-20)17-7-10-28(11-8-17)13-14-29-12-9-27-24(29)31/h1-6,15-17H,7-14H2,(H,27,31)
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n/an/a 3.40n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from Alpha-1 adrenergic receptor in whole rat brain membranes


J Med Chem 35: 4823-31 (1993)

More data for this
Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B


(Rattus norvegicus (Rat))
BDBM50053193
PNG
(1-[2-({2-[5-Chloro-1-(4-fluoro-phenyl)-1H-indol-3-...)
Show SMILES CN(CCOc1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12)CCN1CCNC1=O
Show InChI InChI=1S/C22H24ClFN4O2/c1-26(10-11-27-9-8-25-22(27)29)12-13-30-21-15-28(18-5-3-17(24)4-6-18)20-7-2-16(23)14-19(20)21/h2-7,14-15H,8-13H2,1H3,(H,25,29)
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n/an/a 5.70n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity to the alpha-1 adrenergic receptor using a radioligand [3H]-prazosin binding assay in rat brain membranes


Citation and Details
More data for this
Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B


(Rattus norvegicus (Rat))
BDBM50001802
PNG
(1-(2-{4-[3-(4-Fluoro-phenyl)-indol-1-yl]-piperidin...)
Show SMILES Fc1ccc(cc1)-c1cn(C2CCN(CCN3CCNC3=O)CC2)c2ccccc12
Show InChI InChI=1S/C24H27FN4O/c25-19-7-5-18(6-8-19)22-17-29(23-4-2-1-3-21(22)23)20-9-12-27(13-10-20)15-16-28-14-11-26-24(28)30/h1-8,17,20H,9-16H2,(H,26,30)
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n/an/a 6.30n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from Alpha-1 adrenergic receptor in whole rat brain membranes


J Med Chem 35: 4823-31 (1993)

More data for this
Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B


(Rattus norvegicus (Rat))
BDBM50057453
PNG
(8-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butoxy}...)
Show SMILES COc1ccccc1N1CCN(CCCCOc2cccc3c2oc(-c2ccccc2)c(C)c3=O)CC1
Show InChI InChI=1S/C31H34N2O4/c1-23-29(34)25-13-10-16-28(31(25)37-30(23)24-11-4-3-5-12-24)36-22-9-8-17-32-18-20-33(21-19-32)26-14-6-7-15-27(26)35-2/h3-7,10-16H,8-9,17-22H2,1-2H3
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n/an/a 10n/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
Binding affinity was tested on CEC-pretreated rat hippocampus Alpha-1A adrenergic receptor


Citation and Details
More data for this
Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B


(Rattus norvegicus (Rat))
BDBM50001806
PNG
(1-(2-{4-[6-Chloro-3-(4-fluoro-phenyl)-indol-1-yl]-...)
Show SMILES Fc1ccc(cc1)-c1cn(C2CCN(CCN3CCNC3=O)CC2)c2cc(Cl)ccc12
Show InChI InChI=1S/C24H26ClFN4O/c25-18-3-6-21-22(17-1-4-19(26)5-2-17)16-30(23(21)15-18)20-7-10-28(11-8-20)13-14-29-12-9-27-24(29)31/h1-6,15-16,20H,7-14H2,(H,27,31)
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n/an/a 11n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from Alpha-1 adrenergic receptor in whole rat brain membranes


J Med Chem 35: 4823-31 (1993)

More data for this
Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B


(Rattus norvegicus (Rat))
BDBM50053201
PNG
(1-[2-({2-[5-Chloro-1-(4-fluoro-phenyl)-1H-indol-3-...)
Show SMILES CCN(CCOc1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12)CCN1CCNC1=O
Show InChI InChI=1S/C23H26ClFN4O2/c1-2-27(11-12-28-10-9-26-23(28)30)13-14-31-22-16-29(19-6-4-18(25)5-7-19)21-8-3-17(24)15-20(21)22/h3-8,15-16H,2,9-14H2,1H3,(H,26,30)
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n/an/a 12n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity to the alpha-1 adrenergic receptor using a radioligand [3H]-prazosin binding assay in rat brain membranes


Citation and Details
More data for this
Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B


(Rattus norvegicus (Rat))
BDBM50057496
PNG
(3-Methyl-4-oxo-2-phenyl-4H-chromene-8-carboxylic a...)
Show SMILES COc1ccccc1N1CCN(CCNC(=O)c2cccc3c2oc(c(C)c3=O)-c2ccccc2)CC1
Show InChI InChI=1S/C30H31N3O4/c1-21-27(34)23-11-8-12-24(29(23)37-28(21)22-9-4-3-5-10-22)30(35)31-15-16-32-17-19-33(20-18-32)25-13-6-7-14-26(25)36-2/h3-14H,15-20H2,1-2H3,(H,31,35)
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n/an/a 14n/an/an/an/an/an/a



Pfizer Central Research

Curated by ChEMBL


Assay Description
Binding affinity was tested on CEC-pretreated rat hippocampus Alpha-1A adrenergic receptor


Citation and Details
More data for this
Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B


(Rattus norvegicus (Rat))
BDBM50053205
PNG
(1-[3-({2-[5-Chloro-1-(4-fluoro-phenyl)-1H-indol-3-...)
Show SMILES CN(CCCN1CCNC1=O)CCc1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12
Show InChI InChI=1S/C23H26ClFN4O/c1-27(11-2-12-28-14-10-26-23(28)30)13-9-17-16-29(20-6-4-19(25)5-7-20)22-8-3-18(24)15-21(17)22/h3-8,15-16H,2,9-14H2,1H3,(H,26,30)
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n/an/a 14n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity to the alpha-1 adrenergic receptor using a radioligand [3H]-prazosin binding assay in rat brain membranes


Citation and Details
More data for this
Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B


(Rattus norvegicus (Rat))
BDBM50053200
PNG
(1-[2-({2-[6-Chloro-1-(4-fluoro-phenyl)-1H-indol-3-...)
Show SMILES CN(CCN1CCNC1=O)CCc1cn(-c2ccc(F)cc2)c2cc(Cl)ccc12
Show InChI InChI=1S/C22H24ClFN4O/c1-26(12-13-27-11-9-25-22(27)29)10-8-16-15-28(19-5-3-18(24)4-6-19)21-14-17(23)2-7-20(16)21/h2-7,14-15H,8-13H2,1H3,(H,25,29)
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n/an/a 14n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity to the alpha-1 adrenergic receptor using a radioligand [3H]-prazosin binding assay in rat brain membranes


Citation and Details
More data for this
Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B


(Rattus norvegicus (Rat))
BDBM50053213
PNG
(1-[2-({2-[5-Chloro-1-(4-fluoro-phenyl)-1H-indol-3-...)
Show SMILES CN(CCN1CCNC1=O)CCc1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12
Show InChI InChI=1S/C22H24ClFN4O/c1-26(12-13-27-11-9-25-22(27)29)10-8-16-15-28(19-5-3-18(24)4-6-19)21-7-2-17(23)14-20(16)21/h2-7,14-15H,8-13H2,1H3,(H,25,29)
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n/an/a 15n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity to the alpha-1 adrenergic receptor using a radioligand [3H]-prazosin binding assay in rat brain membranes


Citation and Details
More data for this
Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B


(Rattus norvegicus (Rat))
BDBM50053209
PNG
(CHEMBL125483 | {2-[5-Chloro-1-(4-fluoro-phenyl)-1H...)
Show SMILES CN(C)CCOc1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12
Show InChI InChI=1S/C18H18ClFN2O/c1-21(2)9-10-23-18-12-22(15-6-4-14(20)5-7-15)17-8-3-13(19)11-16(17)18/h3-8,11-12H,9-10H2,1-2H3
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n/an/a 17n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity to the alpha-1 adrenergic receptor using a radioligand [3H]-prazosin binding assay in rat brain membranes


Citation and Details
More data for this
Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B


(Rattus norvegicus (Rat))
BDBM50053194
PNG
(CHEMBL301956 | [5-Chloro-1-(4-fluoro-phenyl)-1H-in...)
Show SMILES CN(C)Cc1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12
Show InChI InChI=1S/C17H16ClFN2/c1-20(2)10-12-11-21(15-6-4-14(19)5-7-15)17-8-3-13(18)9-16(12)17/h3-9,11H,10H2,1-2H3
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n/an/a 18n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity to the alpha-1 adrenergic receptor using a radioligand [3H]-prazosin binding assay in rat brain membranes


Citation and Details
More data for this
Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B


(Rattus norvegicus (Rat))
BDBM50001812
PNG
(1-(2-{4-[5-Fluoro-3-(4-fluoro-phenyl)-indol-1-yl]-...)
Show SMILES Fc1ccc(cc1)-c1cn(C2CCN(CCN3CCNC3=O)CC2)c2ccc(F)cc12
Show InChI InChI=1S/C24H26F2N4O/c25-18-3-1-17(2-4-18)22-16-30(23-6-5-19(26)15-21(22)23)20-7-10-28(11-8-20)13-14-29-12-9-27-24(29)31/h1-6,15-16,20H,7-14H2,(H,27,31)
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n/an/a 19n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from Alpha-1 adrenergic receptor in whole rat brain membranes


J Med Chem 35: 4823-31 (1993)

More data for this
Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B


(Rattus norvegicus (Rat))
BDBM50001814
PNG
(1-(2-{4-[3-(4-Fluoro-phenyl)-7-methyl-indol-1-yl]-...)
Show SMILES Cc1cccc2c(cn(C3CCN(CCN4CCNC4=O)CC3)c12)-c1ccc(F)cc1
Show InChI InChI=1S/C25H29FN4O/c1-18-3-2-4-22-23(19-5-7-20(26)8-6-19)17-30(24(18)22)21-9-12-28(13-10-21)15-16-29-14-11-27-25(29)31/h2-8,17,21H,9-16H2,1H3,(H,27,31)
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n/an/a 23n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from Alpha-1 adrenergic receptor in whole rat brain membranes


J Med Chem 35: 4823-31 (1993)

More data for this
Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B


(Rattus norvegicus (Rat))
BDBM50053188
PNG
(1-(2-{[5-Chloro-1-(4-fluoro-phenyl)-1H-indol-3-ylm...)
Show SMILES CN(CCN1CCNC1=O)Cc1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12
Show InChI InChI=1S/C21H22ClFN4O/c1-25(10-11-26-9-8-24-21(26)28)13-15-14-27(18-5-3-17(23)4-6-18)20-7-2-16(22)12-19(15)20/h2-7,12,14H,8-11,13H2,1H3,(H,24,28)
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n/an/a 23n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity to the alpha-1 adrenergic receptor using a radioligand [3H]-prazosin binding assay in rat brain membranes


Citation and Details
More data for this
Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B


(Rattus norvegicus (Rat))
BDBM50001811
PNG
(1-(2-{4-[3-(4-Fluoro-phenyl)-5-methyl-indol-1-yl]-...)
Show SMILES Cc1ccc2n(cc(-c3ccc(F)cc3)c2c1)C1=CCN(CCN2CCNC2=O)CC1
Show InChI InChI=1S/C25H27FN4O/c1-18-2-7-24-22(16-18)23(19-3-5-20(26)6-4-19)17-30(24)21-8-11-28(12-9-21)14-15-29-13-10-27-25(29)31/h2-8,16-17H,9-15H2,1H3,(H,27,31)
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n/an/a 24n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from Alpha-1 adrenergic receptor in whole rat brain membranes


J Med Chem 35: 4823-31 (1993)

More data for this
Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B


(Rattus norvegicus (Rat))
BDBM50001805
PNG
(1-(2-{4-[3-(4-Fluoro-phenyl)-7-methyl-indol-1-yl]-...)
Show SMILES Cc1cccc2c(cn(C3=CCN(CCN4CCNC4=O)CC3)c12)-c1ccc(F)cc1
Show InChI InChI=1S/C25H27FN4O/c1-18-3-2-4-22-23(19-5-7-20(26)8-6-19)17-30(24(18)22)21-9-12-28(13-10-21)15-16-29-14-11-27-25(29)31/h2-9,17H,10-16H2,1H3,(H,27,31)
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n/an/a 27n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from Alpha-1 adrenergic receptor in whole rat brain membranes


J Med Chem 35: 4823-31 (1993)

More data for this
Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B


(Rattus norvegicus (Rat))
BDBM50053198
PNG
(5-Chloro-1-(4-fluoro-phenyl)-3-(2-piperidin-1-yl-e...)
Show SMILES Fc1ccc(cc1)-n1cc(OCCN2CCCCC2)c2cc(Cl)ccc12
Show InChI InChI=1S/C21H22ClFN2O/c22-16-4-9-20-19(14-16)21(26-13-12-24-10-2-1-3-11-24)15-25(20)18-7-5-17(23)6-8-18/h4-9,14-15H,1-3,10-13H2
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n/an/a 32n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity to the alpha-1 adrenergic receptor using a radioligand [3H]-prazosin binding assay in rat brain membranes


Citation and Details
More data for this
Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B


(Rattus norvegicus (Rat))
BDBM50001804
PNG
(1-(2-{4-[3-(4-Fluoro-phenyl)-4-methyl-indol-1-yl]-...)
Show SMILES Cc1cccc2n(cc(-c3ccc(F)cc3)c12)C1CCN(CCN2CCNC2=O)CC1
Show InChI InChI=1S/C25H29FN4O/c1-18-3-2-4-23-24(18)22(19-5-7-20(26)8-6-19)17-30(23)21-9-12-28(13-10-21)15-16-29-14-11-27-25(29)31/h2-8,17,21H,9-16H2,1H3,(H,27,31)
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n/an/a 34n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from Alpha-1 adrenergic receptor in whole rat brain membranes


J Med Chem 35: 4823-31 (1993)

More data for this
Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B


(Rattus norvegicus (Rat))
BDBM50010870
PNG
(1-[1-(3,4-Dichloro-phenyl)-2-dimethylamino-ethyl]-...)
Show SMILES CN(C)CC(c1ccc(Cl)c(Cl)c1)C1(O)CCCCC1
Show InChI InChI=1S/C16H23Cl2NO/c1-19(2)11-13(16(20)8-4-3-5-9-16)12-6-7-14(17)15(18)10-12/h6-7,10,13,20H,3-5,8-9,11H2,1-2H3
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n/an/a 37n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]imipramine to imipramine receptor in rat brain


J Med Chem 33: 2899-905 (1990)

More data for this
Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B


(Rattus norvegicus (Rat))
BDBM50053204
PNG
(CHEMBL332365 | {2-[5-Chloro-1-(4-fluoro-phenyl)-1H...)
Show SMILES CN(C)CCc1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12
Show InChI InChI=1S/C18H18ClFN2/c1-21(2)10-9-13-12-22(16-6-4-15(20)5-7-16)18-8-3-14(19)11-17(13)18/h3-8,11-12H,9-10H2,1-2H3
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n/an/a 40n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity to the alpha-1 adrenergic receptor using a radioligand [3H]-prazosin binding assay in rat brain membranes


Citation and Details
More data for this
Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B


(Rattus norvegicus (Rat))
BDBM50053190
PNG
(1-[2-({2-[6-Chloro-1-(4-fluoro-phenyl)-1H-indol-3-...)
Show SMILES CN(CCOc1cn(-c2ccc(F)cc2)c2cc(Cl)ccc12)CCN1CCNC1=O
Show InChI InChI=1S/C22H24ClFN4O2/c1-26(10-11-27-9-8-25-22(27)29)12-13-30-21-15-28(18-5-3-17(24)4-6-18)20-14-16(23)2-7-19(20)21/h2-7,14-15H,8-13H2,1H3,(H,25,29)
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n/an/a 41n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity to the alpha-1 adrenergic receptor using a radioligand [3H]-prazosin binding assay in rat brain membranes


Citation and Details
More data for this
Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B


(Rattus norvegicus (Rat))
BDBM50053212
PNG
(1-[2-({3-[5-Chloro-1-(4-fluoro-phenyl)-1H-indol-3-...)
Show SMILES CN(CCCc1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12)CCN1CCNC1=O
Show InChI InChI=1S/C23H26ClFN4O/c1-27(13-14-28-12-10-26-23(28)30)11-2-3-17-16-29(20-7-5-19(25)6-8-20)22-9-4-18(24)15-21(17)22/h4-9,15-16H,2-3,10-14H2,1H3,(H,26,30)
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n/an/a 43n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity to the alpha-1 adrenergic receptor using a radioligand [3H]-prazosin binding assay in rat brain membranes


Citation and Details
More data for this
Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B


(Rattus norvegicus (Rat))
BDBM50422380
PNG
(CHEMBL1203232)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N(C)CCCCCCN(C)C(=O)c1cccc(CNCCCCCCNCCSSCCNCCCCCCNCc2cccc(c2)C(=O)N(C)CCCCCCN(C)c2nc(N)c3cc(OC)c(OC)cc3n2)c1
Show InChI InChI=1S/C68H104N14O6S2/c1-79(37-21-13-15-23-39-81(3)67-75-57-47-61(87-7)59(85-5)45-55(57)63(69)77-67)65(83)53-29-25-27-51(43-53)49-73-33-19-11-9-17-31-71-35-41-89-90-42-36-72-32-18-10-12-20-34-74-50-52-28-26-30-54(44-52)66(84)80(2)38-22-14-16-24-40-82(4)68-76-58-48-62(88-8)60(86-6)46-56(58)64(70)78-68/h25-30,43-48,71-74H,9-24,31-42,49-50H2,1-8H3,(H2,69,75,77)(H2,70,76,78)
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n/an/a 46n/an/an/an/an/an/a



University of Bologna

Curated by ChEMBL


Assay Description
Antagonist affinity [non competitive (irreversible)] at alpha-1A-adrenoreceptors on isolated prostatic Vas deferens from rat


Citation and Details
More data for this
Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B


(Rattus norvegicus (Rat))
BDBM50001775
PNG
((ritanserin)6-(2-{4-[Bis-(4-fluoro-phenyl)-methyle...)
Show SMILES Cc1nc2sccn2c(=O)c1CCN1CCC(CC1)=C(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C27H25F2N3OS/c1-18-24(26(33)32-16-17-34-27(32)30-18)12-15-31-13-10-21(11-14-31)25(19-2-6-22(28)7-3-19)20-4-8-23(29)9-5-20/h2-9,16-17H,10-15H2,1H3
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n/an/a 47n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Compound was tested for i the displacement of [3H]-prazosin from alpha-1 adrenergic receptor


J Med Chem 35: 4823-31 (1993)

More data for this
Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B


(Rattus norvegicus (Rat))
BDBM50001775
PNG
((ritanserin)6-(2-{4-[Bis-(4-fluoro-phenyl)-methyle...)
Show SMILES Cc1nc2sccn2c(=O)c1CCN1CCC(CC1)=C(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C27H25F2N3OS/c1-18-24(26(33)32-16-17-34-27(32)30-18)12-15-31-13-10-21(11-14-31)25(19-2-6-22(28)7-3-19)20-4-8-23(29)9-5-20/h2-9,16-17H,10-15H2,1H3
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n/an/a 47n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity to the alpha-1 adrenergic receptor using a radioligand [3H]-prazosin binding assay in rat brain membranes


Citation and Details
More data for this
Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B


(Rattus norvegicus (Rat))
BDBM50001775
PNG
((ritanserin)6-(2-{4-[Bis-(4-fluoro-phenyl)-methyle...)
Show SMILES Cc1nc2sccn2c(=O)c1CCN1CCC(CC1)=C(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C27H25F2N3OS/c1-18-24(26(33)32-16-17-34-27(32)30-18)12-15-31-13-10-21(11-14-31)25(19-2-6-22(28)7-3-19)20-4-8-23(29)9-5-20/h2-9,16-17H,10-15H2,1H3
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n/an/a 47n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Compound was tested for the displacement of [3H]-prazosin from alpha-1 adrenergic receptor of rat striatal membranes


J Med Chem 35: 4813-22 (1993)

More data for this
Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B


(Rattus norvegicus (Rat))
BDBM50010867
PNG
(1-[1-(3-Bromo-phenyl)-2-dimethylamino-ethyl]-cyclo...)
Show SMILES CN(C)CC(c1cccc(Br)c1)C1(O)CCCCC1
Show InChI InChI=1S/C16H24BrNO/c1-18(2)12-15(13-7-6-8-14(17)11-13)16(19)9-4-3-5-10-16/h6-8,11,15,19H,3-5,9-10,12H2,1-2H3
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n/an/a 52n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]imipramine to imipramine receptor in rat brain


J Med Chem 33: 2899-905 (1990)

More data for this
Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B


(Rattus norvegicus (Rat))
BDBM50053195
PNG
(1-[3-({2-[6-Chloro-1-(4-fluoro-phenyl)-1H-indol-3-...)
Show SMILES CN(CCCN1CCNC1=O)CCc1cn(-c2ccc(F)cc2)c2cc(Cl)ccc12
Show InChI InChI=1S/C23H26ClFN4O/c1-27(11-2-12-28-14-10-26-23(28)30)13-9-17-16-29(20-6-4-19(25)5-7-20)22-15-18(24)3-8-21(17)22/h3-8,15-16H,2,9-14H2,1H3,(H,26,30)
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n/an/a 54n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity to the alpha-1 adrenergic receptor using a radioligand [3H]-prazosin binding assay in rat brain membranes


Citation and Details
More data for this
Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B


(Rattus norvegicus (Rat))
BDBM50001813
PNG
(1-(2-{4-[3-(4-Fluoro-phenyl)-5-methyl-indol-1-yl]-...)
Show SMILES CNC(=O)N(C)CCN1CCC(CC1)n1cc(-c2ccc(F)cc2)c2cc(C)ccc12
Show InChI InChI=1S/C25H31FN4O/c1-18-4-9-24-22(16-18)23(19-5-7-20(26)8-6-19)17-30(24)21-10-12-29(13-11-21)15-14-28(3)25(31)27-2/h4-9,16-17,21H,10-15H2,1-3H3,(H,27,31)
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n/an/a 54n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from Alpha-1 adrenergic receptor in whole rat brain membranes


J Med Chem 35: 4823-31 (1993)

More data for this
Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B


(Rattus norvegicus (Rat))
BDBM50299208
PNG
(4-amino-6-methyl-2-(3-(4-p-tolylpiperazin-1-yl)pro...)
Show SMILES Cc1ccc(cc1)N1CCN(CCCn2nc(C)c(C=C)c(N)c2=O)CC1
Show InChI InChI=1S/C21H29N5O/c1-4-19-17(3)23-26(21(27)20(19)22)11-5-10-24-12-14-25(15-13-24)18-8-6-16(2)7-9-18/h4,6-9H,1,5,10-15,22H2,2-3H3
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n/an/a 56n/an/an/an/an/an/a



Dipartimento di Scienze Farmaceutiche

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from adrenergic alpha1A receptor in Wistar rat submaxillary gland after 60 mins


Citation and Details
More data for this
Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B


(Rattus norvegicus (Rat))
BDBM86748
PNG
(CAS_386750-22-7 | DESVENLAFAXINE | Desvenlafaxine ...)
Show SMILES CN(C)CC(c1ccc(O)cc1)C1(O)CCCCC1
Show InChI InChI=1S/C16H25NO2/c1-17(2)12-15(13-6-8-14(18)9-7-13)16(19)10-4-3-5-11-16/h6-9,15,18-19H,3-5,10-12H2,1-2H3
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n/an/a 60n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]imipramine to imipramine receptor in rat brain


J Med Chem 33: 2899-905 (1990)

More data for this
Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B


(Rattus norvegicus (Rat))
BDBM50010872
PNG
(1-[1-(4-Bromo-phenyl)-2-dimethylamino-ethyl]-cyclo...)
Show SMILES CN(C)CC(c1ccc(Br)cc1)C1(O)CCCCC1
Show InChI InChI=1S/C16H24BrNO/c1-18(2)12-15(13-6-8-14(17)9-7-13)16(19)10-4-3-5-11-16/h6-9,15,19H,3-5,10-12H2,1-2H3
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n/an/a 62n/an/an/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]imipramine to imipramine receptor in rat brain


J Med Chem 33: 2899-905 (1990)

More data for this
Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B


(Rattus norvegicus (Rat))
BDBM50001816
PNG
(1-(2-{4-[5-Chloro-3-(4-fluoro-phenyl)-indol-1-yl]-...)
Show SMILES Fc1ccc(cc1)-c1cn(C2CCN(CCN3CCNC3=O)CC2)c2ccc(Cl)cc12
Show InChI InChI=1S/C24H26ClFN4O/c25-18-3-6-23-21(15-18)22(17-1-4-19(26)5-2-17)16-30(23)20-7-10-28(11-8-20)13-14-29-12-9-27-24(29)31/h1-6,15-16,20H,7-14H2,(H,27,31)
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n/an/a 67n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from Alpha-1 adrenergic receptor in whole rat brain membranes


J Med Chem 35: 4823-31 (1993)

More data for this
Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B


(Rattus norvegicus (Rat))
BDBM50001782
PNG
((Lu 26-042)1-(2-{4-[6-Chloro-1-(4-fluoro-phenyl)-1...)
Show SMILES CC(C)N1CCN(CCN2CCC(CC2)c2cn(-c3ccc(F)cc3)c3cc(Cl)ccc23)C1=O
Show InChI InChI=1S/C27H32ClFN4O/c1-19(2)32-16-15-31(27(32)34)14-13-30-11-9-20(10-12-30)25-18-33(23-6-4-22(29)5-7-23)26-17-21(28)3-8-24(25)26/h3-8,17-20H,9-16H2,1-2H3
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n/an/a 70n/an/an/an/an/an/a



H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Binding affinity to the alpha-1 adrenergic receptor using a radioligand [3H]-prazosin binding assay in rat brain membranes


Citation and Details
More data for this
Ligand-Target Pair
Alpha adrenergic receptor 1A and 1B


(Rattus norvegicus (Rat))
BDBM50001782
PNG
((Lu 26-042)1-(2-{4-[6-Chloro-1-(4-fluoro-phenyl)-1...)
Show SMILES CC(C)N1CCN(CCN2CCC(CC2)c2cn(-c3ccc(F)cc3)c3cc(Cl)ccc23)C1=O
Show InChI InChI=1S/C27H32ClFN4O/c1-19(2)32-16-15-31(27(32)34)14-13-30-11-9-20(10-12-30)25-18-33(23-6-4-22(29)5-7-23)26-17-21(28)3-8-24(25)26/h3-8,17-20H,9-16H2,1-2H3
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H. Lundbeck A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]-prazosin from Alpha-1 adrenergic receptor in whole rat brain membranes


J Med Chem 35: 4823-31 (1993)

More data for this
Ligand-Target Pair
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