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Compile Data Set for Download or QSAR

Found 56 hits of ki data for complexid = 50000229,50000717   
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
Adrenergic receptor alpha-1


(HUMAN-Homo sapiens (Human))
BDBM50109061
PNG
(3-{1-[2-(1H-Indol-4-yloxy)-ethyl]-1,2,3,6-tetrahyd...)
Show SMILES C(CN1CCC(=CC1)c1c[nH]c2ncccc12)Oc1cccc2[nH]ccc12
Show InChI InChI=1S/C22H22N4O/c1-4-20-18(6-10-23-20)21(5-1)27-14-13-26-11-7-16(8-12-26)19-15-25-22-17(19)3-2-9-24-22/h1-7,9-10,15,23H,8,11-14H2,(H,24,25)
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1n/an/an/an/an/an/an/an/a



Organon Laboratories

Curated by ChEMBL


Assay Description
Inhibition constant against alpha adrenergic receptor


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-1


(HUMAN-Homo sapiens (Human))
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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1.80n/an/an/an/an/an/an/an/a



Prestwick Chemical Inc.

Curated by ChEMBL


Assay Description
Inhibition of currents elicited by GABA at EC5 (6-12 uM)


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-1


(HUMAN-Homo sapiens (Human))
BDBM50001885
PNG
((risperidone)3-{2-[4-(6-Fluoro-benzo[d]isoxazol-3-...)
Show SMILES Cc1nc2CCCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12
Show InChI InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3
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2.30n/an/an/an/an/an/an/an/a



Prestwick Chemical Inc.

Curated by ChEMBL


Assay Description
In vitro inhibition of 5-(125I)A-85380 binding to nicotinic acetylcholine receptor (nAChR) of rat brain


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-1


(HUMAN-Homo sapiens (Human))
BDBM35255
PNG
(2-Chlor-11-(2-dimethylaminoaethoxy)-dibenzo(b,f)-t...)
Show SMILES CN(C)CCOC1=Cc2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C18H18ClNOS/c1-20(2)9-10-21-16-11-13-5-3-4-6-17(13)22-18-8-7-14(19)12-15(16)18/h3-8,11-12H,9-10H2,1-2H3
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3.40n/an/an/an/an/an/an/an/a



Prestwick Chemical Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human alpha-1 adrenergic receptor


Citation and Details
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50085683
PNG
((+)-4-((S)-alpha,2,3-trimethylbenzyl)imidazole | 4...)
Show SMILES C[C@H](c1cnc[nH]1)c1cccc(C)c1C
Show InChI InChI=1S/C13H16N2/c1-9-5-4-6-12(10(9)2)11(3)13-7-14-8-15-13/h4-8,11H,1-3H3,(H,14,15)/t11-/m0/s1
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5n/an/an/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Tested for Binding affinity towards alpha-1 adrenergic receptor


J Med Chem 43: 765-8 (2000)

More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50187381
PNG
(CHEMBL209324 | N-(4-(4-(2-methoxyphenyl)piperazin-...)
Show SMILES COc1ccccc1N1CCN(CCCCNS(=O)(=O)c2ccc(C)cc2)CC1
Show InChI InChI=1S/C22H31N3O3S/c1-19-9-11-20(12-10-19)29(26,27)23-13-5-6-14-24-15-17-25(18-16-24)21-7-3-4-8-22(21)28-2/h3-4,7-12,23H,5-6,13-18H2,1-2H3
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6n/an/an/an/an/an/an/an/a



Predix Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from adrenergic alpha-1 receptor in rat cerebral cortex cells


Citation and Details
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50164462
PNG
(2-[4-(4-Naphthalen-1-yl-piperazin-1-yl)-butyl]-hex...)
Show SMILES O=C1CN(CCCCN2CCN(CC2)c2cccc3ccccc23)C(=O)C2CCCN12
Show InChI InChI=1S/C25H32N4O2/c30-24-19-28(25(31)23-11-6-14-29(23)24)13-4-3-12-26-15-17-27(18-16-26)22-10-5-8-20-7-1-2-9-21(20)22/h1-2,5,7-10,23H,3-4,6,11-19H2
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8n/an/an/an/an/an/an/an/a


TBA

Assay Description
In vitro inhibition of [3H]prazosin binding to Alpha-1 adrenergic receptor in rat cerebral cortex membranes


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-1


(HUMAN-Homo sapiens (Human))
BDBM50048803
PNG
(5-(2-(4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)et...)
Show SMILES Clc1cc2NC(=O)Cc2cc1CCN1CCN(CC1)c1nsc2ccccc12
Show InChI InChI=1S/C21H21ClN4OS/c22-17-13-18-15(12-20(27)23-18)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)28-24-21/h1-4,11,13H,5-10,12H2,(H,23,27)
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12n/an/an/an/an/an/an/an/a



Prestwick Chemical Inc.

Curated by ChEMBL


Assay Description
Invitro evaluation against RXR-alpha in CV-1 cells by cotransfection assay was determined


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-1


(HUMAN-Homo sapiens (Human))
BDBM50145347
PNG
(1-(2-(4-(6-fluoro-1H-indol-3-yl)-5,6-dihydropyridi...)
Show SMILES NC(=O)c1ccc2C(CCN3CCC(=CC3)c3c[nH]c4cc(F)ccc34)OCCc2c1
Show InChI InChI=1S/C25H26FN3O2/c26-19-2-4-21-22(15-28-23(21)14-19)16-5-9-29(10-6-16)11-7-24-20-3-1-18(25(27)30)13-17(20)8-12-31-24/h1-5,13-15,24,28H,6-12H2,(H2,27,30)
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16n/an/an/an/an/an/an/an/a



Organon Laboratories

Curated by ChEMBL


Assay Description
Inhibition constant against alpha adrenergic receptor


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-1


(HUMAN-Homo sapiens (Human))
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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19n/an/an/an/an/an/an/an/a



Prestwick Chemical Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human alpha-1 adrenergic receptor


Citation and Details
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50016825
PNG
(CHEMBL421130)
Show SMILES O=C1C2CCCN2C(=O)N1CCCCN1CCN(CC1)c1cccc2[nH]cnc12
Show InChI InChI=1/C21H28N6O2/c28-20-18-7-4-10-26(18)21(29)27(20)9-2-1-8-24-11-13-25(14-12-24)17-6-3-5-16-19(17)23-15-22-16/h3,5-6,15,18H,1-2,4,7-14H2,(H,22,23)
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19n/an/an/an/an/an/an/an/a


TBA

Assay Description
In vitro inhibition of [3H]prazosin binding to Alpha-1 adrenergic receptor in rat cerebral cortex membranes


Citation and Details
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50164455
PNG
((R)-2-[4-((R)-2-Methyl-4-naphthalen-1-yl-piperazin...)
Show SMILES C[C@@H]1CN(CCN1CCCCN1CC(=O)N2CCCC2C1=O)c1cccc2ccccc12
Show InChI InChI=1S/C26H34N4O2/c1-20-18-28(23-11-6-9-21-8-2-3-10-22(21)23)17-16-27(20)13-4-5-14-29-19-25(31)30-15-7-12-24(30)26(29)32/h2-3,6,8-11,20,24H,4-5,7,12-19H2,1H3/t20-,24?/m1/s1
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20n/an/an/an/an/an/an/an/a


TBA

Assay Description
In vitro inhibition of [3H]prazosin binding to Alpha-1 adrenergic receptor in rat cerebral cortex membranes


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-1


(HUMAN-Homo sapiens (Human))
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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23n/an/an/an/an/an/an/an/a



Prestwick Chemical Inc.

Curated by ChEMBL


Assay Description
Inhibition of currents when compound wascoapplied with acetylcholine to recombinant Torpedo nAcChoR (from 6 oocytes)


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-1


(HUMAN-Homo sapiens (Human))
BDBM50180054
PNG
(CHEMBL199824 | [O-methyl-11C]2-{4-[4-(7-methoxynap...)
Show SMILES COc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1
Show InChI InChI=1S/C23H29N5O3/c1-25-22(29)17-24-28(23(25)30)11-4-3-10-26-12-14-27(15-13-26)21-7-5-6-18-8-9-19(31-2)16-20(18)21/h5-9,16-17H,3-4,10-15H2,1-2H3
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32n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
Binding affinity to adrenergic alpha-1 receptor


Citation and Details
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50164453
PNG
((S)-2-[4-((S)-2-Methyl-4-naphthalen-1-yl-piperazin...)
Show SMILES C[C@H]1CN(CCN1CCCCN1CC(=O)N2CCCC2C1=O)c1cccc2ccccc12
Show InChI InChI=1S/C26H34N4O2/c1-20-18-28(23-11-6-9-21-8-2-3-10-22(21)23)17-16-27(20)13-4-5-14-29-19-25(31)30-15-7-12-24(30)26(29)32/h2-3,6,8-11,20,24H,4-5,7,12-19H2,1H3/t20-,24?/m0/s1
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34n/an/an/an/an/an/an/an/a


TBA

Assay Description
In vitro inhibition of [3H]prazosin binding to Alpha-1 adrenergic receptor in rat cerebral cortex membranes


Citation and Details
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50187390
PNG
(CHEMBL380369 | SUNEPITRON | Sunepitron | sunepitro...)
Show SMILES O=C1CCC(=O)N1C[C@H]1CC[C@H]2CN(CCN2C1)c1ncccn1
Show InChI InChI=1S/C17H23N5O2/c23-15-4-5-16(24)22(15)11-13-2-3-14-12-21(9-8-20(14)10-13)17-18-6-1-7-19-17/h1,6-7,13-14H,2-5,8-12H2
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35n/an/an/an/an/an/an/an/a



Predix Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from adrenergic alpha-1 receptor in rat cerebral cortex cells


Citation and Details
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50085676
PNG
(4-(1,3-Dimethyl-4,5,6,7-tetrahydro-benzo[c]thiophe...)
Show SMILES Cc1sc(C)c2C(CCCc12)c1cnc[nH]1
Show InChI InChI=1S/C13H16N2S/c1-8-10-4-3-5-11(12-6-14-7-15-12)13(10)9(2)16-8/h6-7,11H,3-5H2,1-2H3,(H,14,15)
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48n/an/an/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Tested for Binding affinity towards alpha-1 adrenergic receptor


J Med Chem 43: 765-8 (2000)

More data for this
Ligand-Target Pair
Adrenergic receptor alpha-1


(HUMAN-Homo sapiens (Human))
BDBM50095890
PNG
(2-[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperaz...)
Show SMILES OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2ccccc12
Show InChI InChI=1S/C21H25N3O2S/c25-14-16-26-15-13-23-9-11-24(12-10-23)21-17-5-1-3-7-19(17)27-20-8-4-2-6-18(20)22-21/h1-8,25H,9-16H2
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58n/an/an/an/an/an/an/an/a



Prestwick Chemical Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards human alpha-1 adrenergic receptor


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-1


(HUMAN-Homo sapiens (Human))
BDBM35254
PNG
(2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3...)
Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2sc(C)cc12
Show InChI InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3
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60n/an/an/an/an/an/an/an/a



Prestwick Chemical Inc.

Curated by ChEMBL


Assay Description
Binding affinity for Retinoic acid receptor RXR-alpha was determined by competing with 3[H]-9-cis-RA


Citation and Details
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50016822
PNG
(CHEMBL33150)
Show SMILES O=C1C2CCCN2C(=O)N1CCCCN1CCN(CC1)c1cccc2ccccc12
Show InChI InChI=1/C24H30N4O2/c29-23-22-11-6-14-27(22)24(30)28(23)13-4-3-12-25-15-17-26(18-16-25)21-10-5-8-19-7-1-2-9-20(19)21/h1-2,5,7-10,22H,3-4,6,11-18H2
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65n/an/an/an/an/an/an/an/a


TBA

Assay Description
In vitro inhibition of [3H]prazosin binding to Alpha-1 adrenergic receptor in rat cerebral cortex membranes


Citation and Details
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50085679
PNG
(4-(4,5,6,7-Tetrahydro-benzo[b]thiophen-7-yl)-1H-im...)
Show SMILES C1CC(c2cnc[nH]2)c2sccc2C1
Show InChI InChI=1S/C11H12N2S/c1-2-8-4-5-14-11(8)9(3-1)10-6-12-7-13-10/h4-7,9H,1-3H2,(H,12,13)
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91n/an/an/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Tested for Binding affinity towards alpha-1 adrenergic receptor


J Med Chem 43: 765-8 (2000)

More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50085678
PNG
(4-(4,5,6,7-Tetrahydro-benzo[b]thiophen-4-yl)-1H-im...)
Show SMILES C1CC(c2cnc[nH]2)c2ccsc2C1
Show InChI InChI=1S/C11H12N2S/c1-2-8(10-6-12-7-13-10)9-4-5-14-11(9)3-1/h4-8H,1-3H2,(H,12,13)
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110n/an/an/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Tested for Binding affinity towards alpha-1 adrenergic receptor


J Med Chem 43: 765-8 (2000)

More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50085677
PNG
(4-(1,3-Dimethyl-6,7-dihydro-benzo[c]thiophen-4-yl)...)
Show SMILES Cc1sc(C)c2c1CCC=C2c1cnc[nH]1
Show InChI InChI=1S/C13H14N2S/c1-8-10-4-3-5-11(12-6-14-7-15-12)13(10)9(2)16-8/h5-7H,3-4H2,1-2H3,(H,14,15)
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110n/an/an/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Tested for Binding affinity towards alpha-1 adrenergic receptor


J Med Chem 43: 765-8 (2000)

More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50016897
PNG
(2-(2,6-dichloroanilino)-1,3-diazacyclopentene-(2) ...)
Show SMILES Clc1cccc(Cl)c1N=C1NCCN1
Show InChI InChI=1S/C9H9Cl2N3/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9/h1-3H,4-5H2,(H2,12,13,14)
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116n/an/an/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Tested for Binding affinity towards alpha-1 adrenergic receptor


J Med Chem 43: 765-8 (2000)

More data for this
Ligand-Target Pair
Adrenergic receptor alpha-1


(HUMAN-Homo sapiens (Human))
BDBM50175501
PNG
(3-Chloro-7-{2-[(R)-4-(6-fluoro-naphthalen-1-yl)-2-...)
Show SMILES C[C@@H]1CN(CCN1CCC1OCCc2c(Cl)c(sc12)C(N)=O)c1cccc2cc(F)ccc12
Show InChI InChI=1S/C25H27ClFN3O2S/c1-15-14-30(20-4-2-3-16-13-17(27)5-6-18(16)20)11-10-29(15)9-7-21-23-19(8-12-32-21)22(26)24(33-23)25(28)31/h2-6,13,15,21H,7-12,14H2,1H3,(H2,28,31)/t15-,21?/m1/s1
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140n/an/an/an/an/an/an/an/a



Organon Laboratories

Curated by ChEMBL


Assay Description
Inhibition constant against alpha adrenergic receptor


Citation and Details
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
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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229n/an/an/an/an/an/an/an/a



Predix Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from adrenergic alpha-1 receptor in rat cerebral cortex cells


Citation and Details
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50085681
PNG
(4-Benzo[b]thiophen-4-yl-1H-imidazole | CHEMBL30534)
Show SMILES c1cc2c(cccc2s1)-c1c[nH]cn1
Show InChI InChI=1S/C11H8N2S/c1-2-8(10-6-12-7-13-10)9-4-5-14-11(9)3-1/h1-7H,(H,12,13)
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343n/an/an/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Tested for Binding affinity towards alpha-1 adrenergic receptor


J Med Chem 43: 765-8 (2000)

More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50016826
PNG
(CHEMBL34288)
Show SMILES O=C1C2CCCCN2C(=O)N1CN1CCN(CC1)c1cccc2OC=COCc12
Show InChI InChI=1/C21H26N4O4/c26-20-18-4-1-2-7-24(18)21(27)25(20)15-22-8-10-23(11-9-22)17-5-3-6-19-16(17)14-28-12-13-29-19/h3,5-6,12-13,18H,1-2,4,7-11,14-15H2
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348n/an/an/an/an/an/an/an/a


TBA

Assay Description
In vitro inhibition of [3H]prazosin binding to Alpha-1 adrenergic receptor in rat cerebral cortex membranes


Citation and Details
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50001859
PNG
((buspirone) 8-[4-(4-Pyrimidin-2-yl-piperazin-1-yl)...)
Show SMILES O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(CC1)c1ncccn1
Show InChI InChI=1S/C21H31N5O2/c27-18-16-21(6-1-2-7-21)17-19(28)26(18)11-4-3-10-24-12-14-25(15-13-24)20-22-8-5-9-23-20/h5,8-9H,1-4,6-7,10-17H2
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367n/an/an/an/an/an/an/an/a



Predix Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from adrenergic alpha-1 receptor in rat cerebral cortex cells


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-1


(HUMAN-Homo sapiens (Human))
BDBM50131346
PNG
((3R,3aS)-7,8-Dimethoxy-3-[4-((E)-2-methyl-3-phenyl...)
Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(C\C(C)=C\c5ccccc5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C27H33N3O4/c1-19(13-20-7-5-4-6-8-20)16-29-9-11-30(12-10-29)17-26-22-18-33-23-15-25(32-3)24(31-2)14-21(23)27(22)28-34-26/h4-8,13-15,22,26H,9-12,16-18H2,1-3H3/b19-13+/t22-,26-/m0/s1
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380n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]- prazosin binding to alpha-1 adrenergic receptor


Citation and Details
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50085682
PNG
(4-(4,5-Dihydro-benzo[b]thiophen-7-yl)-1H-imidazole...)
Show SMILES C1Cc2ccsc2C(=C1)c1cnc[nH]1
Show InChI InChI=1S/C11H10N2S/c1-2-8-4-5-14-11(8)9(3-1)10-6-12-7-13-10/h3-7H,1-2H2,(H,12,13)
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399n/an/an/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Tested for Binding affinity towards alpha-1 adrenergic receptor


J Med Chem 43: 765-8 (2000)

More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50085680
PNG
(4-(6,7-Dihydro-benzo[b]thiophen-4-yl)-1H-imidazole...)
Show SMILES C1Cc2sccc2C(=C1)c1cnc[nH]1
Show InChI InChI=1S/C11H10N2S/c1-2-8(10-6-12-7-13-10)9-4-5-14-11(9)3-1/h2,4-7H,1,3H2,(H,12,13)
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443n/an/an/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Tested for Binding affinity towards alpha-1 adrenergic receptor


J Med Chem 43: 765-8 (2000)

More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50164450
PNG
((S)-2-(4-Naphthalen-1-yl-piperazin-1-ylmethyl)-hex...)
Show SMILES O=C1CN(CN2CCN(CC2)c2cccc3ccccc23)C(=O)[C@@H]2CCCN12
Show InChI InChI=1S/C22H26N4O2/c27-21-15-25(22(28)20-9-4-10-26(20)21)16-23-11-13-24(14-12-23)19-8-3-6-17-5-1-2-7-18(17)19/h1-3,5-8,20H,4,9-16H2/t20-/m0/s1
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TBA

Assay Description
In vitro inhibition of [3H]prazosin binding to Alpha-1 adrenergic receptor in rat cerebral cortex membranes


Citation and Details
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50164454
PNG
((S)-2-((S)-2-Methyl-4-naphthalen-1-yl-piperazin-1-...)
Show SMILES C[C@H]1CN(CCN1CN1CC(=O)N2CCC[C@H]2C1=O)c1cccc2ccccc12
Show InChI InChI=1S/C23H28N4O2/c1-17-14-24(20-9-4-7-18-6-2-3-8-19(18)20)12-13-25(17)16-26-15-22(28)27-11-5-10-21(27)23(26)29/h2-4,6-9,17,21H,5,10-16H2,1H3/t17-,21-/m0/s1
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TBA

Assay Description
In vitro inhibition of [3H]prazosin binding to Alpha-1 adrenergic receptor in rat cerebral cortex membranes


Citation and Details
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50164461
PNG
((S)-2-[4-(9H-5,6-Dioxa-benzocyclohepten-1-yl)-pipe...)
Show SMILES O=C1CN(CN2CCN(CC2)c2cccc3OOC=CCc23)C(=O)[C@@H]2CCCN12
Show InChI InChI=1S/C21H26N4O4/c26-20-14-24(21(27)18-6-2-8-25(18)20)15-22-9-11-23(12-10-22)17-5-1-7-19-16(17)4-3-13-28-29-19/h1,3,5,7,13,18H,2,4,6,8-12,14-15H2/t18-/m0/s1
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TBA

Assay Description
In vitro inhibition of [3H]prazosin binding to Alpha-1 adrenergic receptor in rat cerebral cortex membranes


Citation and Details
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50016823
PNG
(CHEMBL430914)
Show SMILES O=C1C2CCCN2C(=O)N1CN1CCN(CC1)c1cccc2ccccc12
Show InChI InChI=1/C21H24N4O2/c26-20-19-9-4-10-24(19)21(27)25(20)15-22-11-13-23(14-12-22)18-8-3-6-16-5-1-2-7-17(16)18/h1-3,5-8,19H,4,9-15H2
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TBA

Assay Description
In vitro inhibition of [3H]prazosin binding to Alpha-1 adrenergic receptor in rat cerebral cortex membranes


Citation and Details
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50164463
PNG
((R)-2-(4-Naphthalen-1-yl-piperazin-1-ylmethyl)-hex...)
Show SMILES O=C1CN(CN2CCN(CC2)c2cccc3ccccc23)C(=O)[C@H]2CCCN12
Show InChI InChI=1S/C22H26N4O2/c27-21-15-25(22(28)20-9-4-10-26(20)21)16-23-11-13-24(14-12-23)19-8-3-6-17-5-1-2-7-18(17)19/h1-3,5-8,20H,4,9-16H2/t20-/m1/s1
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TBA

Assay Description
In vitro inhibition of [3H]prazosin binding to Alpha-1 adrenergic receptor in rat cerebral cortex membranes


Citation and Details
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50126475
PNG
(2-(4-Naphthalen-1-yl-piperazin-1-ylmethyl)-hexahyd...)
Show SMILES O=C1CN(CN2CCN(CC2)c2cccc3ccccc23)C(=O)C2CCCN12
Show InChI InChI=1S/C22H26N4O2/c27-21-15-25(22(28)20-9-4-10-26(20)21)16-23-11-13-24(14-12-23)19-8-3-6-17-5-1-2-7-18(17)19/h1-3,5-8,20H,4,9-16H2
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TBA

Assay Description
In vitro inhibition of [3H]prazosin binding to Alpha-1 adrenergic receptor in rat cerebral cortex membranes


Citation and Details
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50023226
PNG
(CHEMBL34287)
Show SMILES O=C1C2CCCCN2C(=O)N1CN1CCN(CC1)c1cccc2OCCOc12
Show InChI InChI=1/C20H26N4O4/c25-19-16-4-1-2-7-23(16)20(26)24(19)14-21-8-10-22(11-9-21)15-5-3-6-17-18(15)28-13-12-27-17/h3,5-6,16H,1-2,4,7-14H2
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TBA

Assay Description
In vitro inhibition of [3H]prazosin binding to Alpha-1 adrenergic receptor in rat cerebral cortex membranes


Citation and Details
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50023228
PNG
(CHEMBL33258)
Show SMILES O=C1C2CCCN2C(=O)N1CN1CCN(CC1)c1cccc2[nH]cnc12
Show InChI InChI=1/C18H22N6O2/c25-17-15-5-2-6-23(15)18(26)24(17)12-21-7-9-22(10-8-21)14-4-1-3-13-16(14)20-11-19-13/h1,3-4,11,15H,2,5-10,12H2,(H,19,20)
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TBA

Assay Description
In vitro inhibition of [3H]prazosin binding to Alpha-1 adrenergic receptor in rat cerebral cortex membranes


Citation and Details
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50164459
PNG
(2-[4-(9H-5,6-Dioxa-benzocyclohepten-1-yl)-piperazi...)
Show SMILES O=C1CN(CN2CCN(CC2)c2cccc3OOC=CCc23)C(=O)C2CCCN12
Show InChI InChI=1S/C21H26N4O4/c26-20-14-24(21(27)18-6-2-8-25(18)20)15-22-9-11-23(12-10-22)17-5-1-7-19-16(17)4-3-13-28-29-19/h1,3,5,7,13,18H,2,4,6,8-12,14-15H2
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TBA

Assay Description
In vitro inhibition of [3H]prazosin binding to Alpha-1 adrenergic receptor in rat cerebral cortex membranes


Citation and Details
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50164458
PNG
((R)-2-((S)-2-Methyl-4-naphthalen-1-yl-piperazin-1-...)
Show SMILES C[C@H]1CN(CCN1CN1CC(=O)N2CCC[C@@H]2C1=O)c1cccc2ccccc12
Show InChI InChI=1S/C23H28N4O2/c1-17-14-24(20-9-4-7-18-6-2-3-8-19(18)20)12-13-25(17)16-26-15-22(28)27-11-5-10-21(27)23(26)29/h2-4,6-9,17,21H,5,10-16H2,1H3/t17-,21+/m0/s1
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TBA

Assay Description
In vitro inhibition of [3H]prazosin binding to Alpha-1 adrenergic receptor in rat cerebral cortex membranes


Citation and Details
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50164457
PNG
((R)-2-((R)-2-Methyl-4-naphthalen-1-yl-piperazin-1-...)
Show SMILES C[C@@H]1CN(CCN1CN1CC(=O)N2CCC[C@@H]2C1=O)c1cccc2ccccc12
Show InChI InChI=1S/C23H28N4O2/c1-17-14-24(20-9-4-7-18-6-2-3-8-19(18)20)12-13-25(17)16-26-15-22(28)27-11-5-10-21(27)23(26)29/h2-4,6-9,17,21H,5,10-16H2,1H3/t17-,21-/m1/s1
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TBA

Assay Description
In vitro inhibition of [3H]prazosin binding to Alpha-1 adrenergic receptor in rat cerebral cortex membranes


Citation and Details
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50164456
PNG
((S)-2-((R)-2-Methyl-4-naphthalen-1-yl-piperazin-1-...)
Show SMILES C[C@@H]1CN(CCN1CN1CC(=O)N2CCC[C@H]2C1=O)c1cccc2ccccc12
Show InChI InChI=1S/C23H28N4O2/c1-17-14-24(20-9-4-7-18-6-2-3-8-19(18)20)12-13-25(17)16-26-15-22(28)27-11-5-10-21(27)23(26)29/h2-4,6-9,17,21H,5,10-16H2,1H3/t17-,21+/m1/s1
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TBA

Assay Description
In vitro inhibition of [3H]prazosin binding to Alpha-1 adrenergic receptor in rat cerebral cortex membranes


Citation and Details
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50078561
PNG
(CHEMBL1204203 | CHEMBL416266 | Ethanesulfonic acid...)
Show SMILES CCS(=O)(=O)Nc1cccc(c1)N1CCN(CCCCn2c(O)c3CCCn3c2=O)CC1
Show InChI InChI=1S/C22H33N5O4S/c1-2-32(30,31)23-18-7-5-8-19(17-18)25-15-13-24(14-16-25)10-3-4-11-27-21(28)20-9-6-12-26(20)22(27)29/h5,7-8,17,23,28H,2-4,6,9-16H2,1H3
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>1.00E+3n/an/an/an/an/an/an/an/a


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Assay Description
In vitro inhibition of [3H]prazosin binding to Alpha-1 adrenergic receptor in rat cerebral cortex membranes


Citation and Details
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50016824
PNG
(CHEMBL445055)
Show SMILES O=C1C2CCCCN2C(=O)N1CN1CCN(CC1)c1cccc2ccccc12
Show InChI InChI=1/C22H26N4O2/c27-21-20-9-3-4-11-25(20)22(28)26(21)16-23-12-14-24(15-13-23)19-10-5-7-17-6-1-2-8-18(17)19/h1-2,5-8,10,20H,3-4,9,11-16H2
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TBA

Assay Description
In vitro inhibition of [3H]prazosin binding to Alpha-1 adrenergic receptor in rat cerebral cortex membranes


Citation and Details
More data for this
Ligand-Target Pair
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor


(Rattus norvegicus (rat)-Rattus norvegicus (Rat))
BDBM50023227
PNG
(CHEMBL2113057)
Show SMILES O=C1CN(CCCCN2CCN(CC2)c2cccc3OC=COCc23)C(=O)C2CCCN12
Show InChI InChI=1/C24H32N4O4/c29-23-17-27(24(30)21-6-4-10-28(21)23)9-2-1-8-25-11-13-26(14-12-25)20-5-3-7-22-19(20)18-31-15-16-32-22/h3,5,7,15-16,21H,1-2,4,6,8-14,17-18H2
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TBA

Assay Description
In vitro inhibition of [3H]prazosin binding to Alpha-1 adrenergic receptor in rat cerebral cortex membranes


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-1


(HUMAN-Homo sapiens (Human))
BDBM50131351
PNG
((3R,3aS)-7,8-Dimethoxy-3-(4-naphthalen-2-ylmethyl-...)
Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(Cc5ccc6ccccc6c5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C28H31N3O4/c1-32-25-14-22-24(15-26(25)33-2)34-18-23-27(35-29-28(22)23)17-31-11-9-30(10-12-31)16-19-7-8-20-5-3-4-6-21(20)13-19/h3-8,13-15,23,27H,9-12,16-18H2,1-2H3/t23-,27-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]- prazosin binding to alpha-1 adrenergic receptor


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-1


(HUMAN-Homo sapiens (Human))
BDBM50057128
PNG
((2-Benzofuran-6-yl-ethyl)-((R)-5-methoxy-1,2,3,4-t...)
Show SMILES COc1cccc2[C@H](CN(C)CCc3ccc4ccoc4c3)CCCc12
Show InChI InChI=1S/C23H27NO2/c1-24(13-11-17-9-10-18-12-14-26-23(18)15-17)16-19-5-3-7-21-20(19)6-4-8-22(21)25-2/h4,6,8-10,12,14-15,19H,3,5,7,11,13,16H2,1-2H3/t19-/m0/s1
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PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]- prazosin binding to alpha-1 adrenergic receptor


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-1


(HUMAN-Homo sapiens (Human))
BDBM50131359
PNG
((3R,3aS)-7,8-Dimethoxy-3-[4-((E)-3-phenyl-allyl)-p...)
Show SMILES COc1cc2OC[C@H]3[C@H](CN4CCN(C\C=C\c5ccccc5)CC4)ON=C3c2cc1OC
Show InChI InChI=1S/C26H31N3O4/c1-30-23-15-20-22(16-24(23)31-2)32-18-21-25(33-27-26(20)21)17-29-13-11-28(12-14-29)10-6-9-19-7-4-3-5-8-19/h3-9,15-16,21,25H,10-14,17-18H2,1-2H3/b9-6+/t21-,25-/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]- prazosin binding to alpha-1 adrenergic receptor


Citation and Details
More data for this
Ligand-Target Pair
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