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Compile Data Set for Download or QSAR

Found 9549 hits Enz. Inhib. hit(s) with Target = 'Adrenergic Alpha'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Adrenergic receptor alpha


(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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0.00860n/an/an/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards alpha-2D adrenergic receptor


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


(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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0.00860n/an/an/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro rat alpha-2D adrenergic receptor binding using p-aminoclonidine


Citation and Details
More data for this
Ligand-Target Pair
ADRA1B


(C.H.O.)
BDBM50007568
PNG
(1-((S)-8-Chloro-10,11-dihydro-dibenzo[b,f]thiepin-...)
Show SMILES CN1CCN(CC1)[C@H]1Cc2ccccc2Sc2ccc(Cl)cc12
Show InChI InChI=1S/C19H21ClN2S/c1-21-8-10-22(11-9-21)17-12-14-4-2-3-5-18(14)23-19-7-6-15(20)13-16(17)19/h2-7,13,17H,8-12H2,1H3/t17-/m0/s1
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0.00900n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]prozosin from hamster cloned alpha1b receptor


J Med Chem 53: 7021-34 (2010)

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


(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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0.0100n/an/an/an/an/an/an/an/a



UnWersity of Misscuri

Curated by PDSP Ki Database




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


(Homo sapiens (Human))
BDBM50082842
PNG
(4-(3,4-Difluoro-phenyl)-6-methyl-3-{3-[4-(2-nitro-...)
Show SMILES COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCN(CC1)c1ccccc1[N+]([O-])=O
Show InChI InChI=1S/C27H30F2N6O6/c1-17-23(25(36)41-2)24(18-8-9-19(28)20(29)16-18)34(27(38)31-17)26(37)30-10-5-11-32-12-14-33(15-13-32)21-6-3-4-7-22(21)35(39)40/h3-4,6-9,16,24H,5,10-15H2,1-2H3,(H,30,37)(H,31,38)
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0.0100n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
In vitro binding affinity against Alpha-1A adrenergic receptor of human liver microsomes.


Citation and Details
More data for this
Ligand-Target Pair
adrenergic Alpha1


(Dog)
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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0.0100n/an/an/an/an/an/an/an/a



UnWersity of Misscuri

Curated by PDSP Ki Database




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


(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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0.0150n/an/an/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards alpha-2D adrenergic receptor


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


(HUMAN)
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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0.0150n/an/an/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro binding affinity against alpha-2D adrenergic receptor of male Wistar rat


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


(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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0.0150n/an/an/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro rat alpha-2D adrenergic receptor binding using p-aminoclonidine


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


(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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0.0200n/an/an/an/an/an/an/an/a



UnWersity of Misscuri

Curated by PDSP Ki Database




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


(Homo sapiens (Human))
BDBM50029257
PNG
((3-((4-(2-isopropoxyphenyl)piperazin-1-yl)methyl)p...)
Show SMILES CC(C)Oc1ccccc1N1CCN(Cc2cccc(c2)C(=O)N2CCCCC2)CC1
Show InChI InChI=1S/C26H35N3O2/c1-21(2)31-25-12-5-4-11-24(25)28-17-15-27(16-18-28)20-22-9-8-10-23(19-22)26(30)29-13-6-3-7-14-29/h4-5,8-12,19,21H,3,6-7,13-18,20H2,1-2H3
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0.0200n/an/an/an/an/an/an/an/a



Sinhgad College of Pharmacy

Curated by ChEMBL


Assay Description
Binding affinity to adrenergic alpha1A receptor (unknown origin)


Bioorg Med Chem 16: 4759-800 (2008)

More data for this
Ligand-Target Pair
adrenergic Alpha1


(Dog)
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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0.0200n/an/an/an/an/an/an/an/a



UnWersity of Misscuri

Curated by PDSP Ki Database




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


(Homo sapiens (Human))
BDBM50060964
PNG
((R)-5-(2-((2-(2-ethoxyphenoxy)ethyl)amino)propyl)-...)
Show SMILES CCOc1ccccc1OCCN[C@H](C)Cc1ccc(OC)c(c1)S(N)(=O)=O
Show InChI InChI=1S/C20H28N2O5S/c1-4-26-17-7-5-6-8-18(17)27-12-11-22-15(2)13-16-9-10-19(25-3)20(14-16)28(21,23)24/h5-10,14-15,22H,4,11-13H2,1-3H3,(H2,21,23,24)/t15-/m1/s1
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0.0290n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM21392
PNG
(3-(2-aminoethyl)-1H-indole-5-carboxamide | 5-CT | ...)
Show SMILES NCCc1c[nH]c2ccc(cc12)C(N)=O
Show InChI InChI=1S/C11H13N3O/c12-4-3-8-6-14-10-2-1-7(11(13)15)5-9(8)10/h1-2,5-6,14H,3-4,12H2,(H2,13,15)
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0.0290n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Binding affinity against Rat 5-hydroxytryptamine 7 receptor using [3H]-5-HT


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


(Homo sapiens (Human))
BDBM50060964
PNG
((R)-5-(2-((2-(2-ethoxyphenoxy)ethyl)amino)propyl)-...)
Show SMILES CCOc1ccccc1OCCN[C@H](C)Cc1ccc(OC)c(c1)S(N)(=O)=O
Show InChI InChI=1S/C20H28N2O5S/c1-4-26-17-7-5-6-8-18(17)27-12-11-22-15(2)13-16-9-10-19(25-3)20(14-16)28(21,23)24/h5-10,14-15,22H,4,11-13H2,1-3H3,(H2,21,23,24)/t15-/m1/s1
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0.0290n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against human adrenergic receptor subtype Alpha-1A adrenergic receptor using [3H]-prazosin as radioligand


J Med Chem 40: 3141-3 (1997)

More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50163477
PNG
((3R,3aS)-7-(2-Methoxy-ethoxy)-3-[4-((E)-2-methyl-3...)
Show SMILES COCCOc1ccc2C3=NO[C@@H](CN4CCN(C\C(C)=C\c5ccccc5)CC4)[C@@H]3COc2c1
Show InChI InChI=1S/C28H35N3O4/c1-21(16-22-6-4-3-5-7-22)18-30-10-12-31(13-11-30)19-27-25-20-34-26-17-23(33-15-14-32-2)8-9-24(26)28(25)29-35-27/h3-9,16-17,25,27H,10-15,18-20H2,1-2H3/b21-16+/t25-,27-/m0/s1
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0.0300n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Binding affinity for alpha-2C adrenergic receptor


J Med Chem 48: 2054-71 (2005)

More data for this
Ligand-Target Pair
ADRA2C


(OK)
BDBM81811
PNG
(CAS_123679 | L-657,743 | MK-912 | NSC_123679)
Show SMILES CN1CCC2(CCN3CCc4c(oc5ccccc45)C3C2)N(C)C1=O
Show InChI InChI=1S/C20H25N3O2/c1-21-11-8-20(22(2)19(21)24)9-12-23-10-7-15-14-5-3-4-6-17(14)25-18(15)16(23)13-20/h3-6,16H,7-13H2,1-2H3
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0.0300n/an/an/an/an/an/an/an/a



University of Nebraska

Curated by PDSP Ki Database




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


(Rattus norvegicus (Rat))
BDBM50060964
PNG
((R)-5-(2-((2-(2-ethoxyphenoxy)ethyl)amino)propyl)-...)
Show SMILES CCOc1ccccc1OCCN[C@H](C)Cc1ccc(OC)c(c1)S(N)(=O)=O
Show InChI InChI=1S/C20H28N2O5S/c1-4-26-17-7-5-6-8-18(17)27-12-11-22-15(2)13-16-9-10-19(25-3)20(14-16)28(21,23)24/h5-10,14-15,22H,4,11-13H2,1-3H3,(H2,21,23,24)/t15-/m1/s1
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0.0300n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity using [3H]-prazosin as radioligand against adrenoceptor alpha 1A


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


(Homo sapiens (Human))
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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0.0300n/an/an/an/an/an/an/an/a



Duke University

Curated by PDSP Ki Database




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


(CALF)
BDBM50033109
PNG
(2-(6,7-Dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-...)
Show SMILES COc1cc2CCN(Cc2cc1OC)c1cc(N)c2cc(OC)c(OC)cc2n1
Show InChI InChI=1S/C22H25N3O4/c1-26-18-7-13-5-6-25(12-14(13)8-19(18)27-2)22-10-16(23)15-9-20(28-3)21(29-4)11-17(15)24-22/h7-11H,5-6,12H2,1-4H3,(H2,23,24)
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0.0300n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity against Alpha-1A adrenergic receptor from bovine clone


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


(Homo sapiens (Human))
BDBM50160154
PNG
(1-(3-Hydroxy-propyl)-5-((R)-2-{2-[2-(2,2,2-trifluo...)
Show SMILES C[C@H](Cc1cc2CCN(CCCO)c2c(c1)C(N)=O)NCCOc1ccccc1OCC(F)(F)F
Show InChI InChI=1S/C25H32F3N3O4/c1-17(30-8-12-34-21-5-2-3-6-22(21)35-16-25(26,27)28)13-18-14-19-7-10-31(9-4-11-32)23(19)20(15-18)24(29)33/h2-3,5-6,14-15,17,30,32H,4,7-13,16H2,1H3,(H2,29,33)/t17-/m1/s1
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0.0360n/an/an/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Binding constant measured against Alpha-1A adrenergic receptor in human prostate; +++:highly active


Bioorg Med Chem Lett 15: 657-64 (2005)

More data for this
Ligand-Target Pair
ADRA1B


(C.H.O.)
BDBM50328497
PNG
((11-(4-Methylpiperazin-1-yl)-10,11-dihydrodibenzo[...)
Show SMILES CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(CN)cc12
Show InChI InChI=1S/C20H25N3S/c1-22-8-10-23(11-9-22)18-13-16-4-2-3-5-19(16)24-20-7-6-15(14-21)12-17(18)20/h2-7,12,18H,8-11,13-14,21H2,1H3
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0.0390n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]prozosin from hamster cloned alpha1b receptor


J Med Chem 53: 7021-34 (2010)

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


(Homo sapiens (Human))
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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0.0400n/an/an/an/an/an/an/an/a



Jagiellonian University Collegium Medicum

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human adrenergic alpha1A receptor expressed in CHO cells


Eur J Med Chem 92: 221-35 (2015)

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


(Rattus norvegicus (Rat))
BDBM50100210
PNG
(6-Methoxy-3-[2-(6-methoxy-1,3,3a,4,5,9b-hexahydro-...)
Show SMILES COc1cc2[nH]c(=O)n(CCN3C[C@@H]4CCc5c(OC)cccc5[C@@H]4C3)c(=O)c2s1
Show InChI InChI=1S/C22H25N3O4S/c1-28-18-5-3-4-14-15(18)7-6-13-11-24(12-16(13)14)8-9-25-21(26)20-17(23-22(25)27)10-19(29-2)30-20/h3-5,10,13,16H,6-9,11-12H2,1-2H3,(H,23,27)/t13-,16+/m0/s1
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0.0400n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to alpha-1A adrenergic receptor in rat submaxillary gland


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


(Rattus norvegicus (Rat))
BDBM50100221
PNG
(7,8-Dimethoxy-3-[2-(6-methoxy-1,3,3a,4,5,9b-hexahy...)
Show SMILES COc1cccc2[C@@H]3CN(CCn4c(=O)[nH]c5c(OC)c(OC)ccc5c4=O)C[C@@H]3CCc12
Show InChI InChI=1S/C25H29N3O5/c1-31-20-6-4-5-16-17(20)8-7-15-13-27(14-19(15)16)11-12-28-24(29)18-9-10-21(32-2)23(33-3)22(18)26-25(28)30/h4-6,9-10,15,19H,7-8,11-14H2,1-3H3,(H,26,30)/t15-,19+/m0/s1
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0.0400n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to alpha-1A adrenergic receptor in rat submaxillary gland


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


(Homo sapiens (Human))
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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0.0400n/an/an/an/an/an/an/an/a



Adamed Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human recombinant alpha1A adrenoceptor expressed in CHO cells


J Med Chem 57: 4543-57 (2014)

More data for this
Ligand-Target Pair
adrenergic Alpha2


(OPOSSUM)
BDBM50013515
PNG
((+)-yohimbine | (16alpha,17alpha)-17-hydroxyyohimb...)
Show SMILES COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12
Show InChI InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15-,17-,18-,19+/m0/s1
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0.0400n/an/an/an/an/an/an/an/a



University of Missouri

Curated by PDSP Ki Database




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


(HUMAN)
BDBM50033109
PNG
(2-(6,7-Dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-...)
Show SMILES COc1cc2CCN(Cc2cc1OC)c1cc(N)c2cc(OC)c(OC)cc2n1
Show InChI InChI=1S/C22H25N3O4/c1-26-18-7-13-5-6-25(12-14(13)8-19(18)27-2)22-10-16(23)15-9-20(28-3)21(29-4)11-17(15)24-22/h7-11H,5-6,12H2,1-4H3,(H2,23,24)
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0.0400n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity against Alpha-1D adrenergic receptor, from human clones.


Citation and Details
More data for this
Ligand-Target Pair
ADRA2C


(OK)
BDBM50013515
PNG
((+)-yohimbine | (16alpha,17alpha)-17-hydroxyyohimb...)
Show SMILES COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12
Show InChI InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15-,17-,18-,19+/m0/s1
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0.0400n/an/an/an/an/an/an/an/a



University of Nebraska

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
adrenergic Alpha2


(OPOSSUM)
BDBM50013515
PNG
((+)-yohimbine | (16alpha,17alpha)-17-hydroxyyohimb...)
Show SMILES COC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12
Show InChI InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15-,17-,18-,19+/m0/s1
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0.0400n/an/an/an/an/an/an/an/a



University of Missouri

Curated by PDSP Ki Database




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


(Homo sapiens (Human))
BDBM50033109
PNG
(2-(6,7-Dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-...)
Show SMILES COc1cc2CCN(Cc2cc1OC)c1cc(N)c2cc(OC)c(OC)cc2n1
Show InChI InChI=1S/C22H25N3O4/c1-26-18-7-13-5-6-25(12-14(13)8-19(18)27-2)22-10-16(23)15-9-20(28-3)21(29-4)11-17(15)24-22/h7-11H,5-6,12H2,1-4H3,(H2,23,24)
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0.0400n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity against Alpha-1A adrenergic receptor from human clone


Citation and Details
More data for this
Ligand-Target Pair
ADRA2C


(OK)
BDBM81806
PNG
(2-(4,5-dihydro-1h-imidazol-2-yl)-2,3-dihydro-1-(2-...)
Show SMILES C=CCn1c(cc2ccccc12)C1=NCCN1
Show InChI InChI=1S/C14H15N3/c1-2-9-17-12-6-4-3-5-11(12)10-13(17)14-15-7-8-16-14/h2-6,10H,1,7-9H2,(H,15,16)
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0.0500n/an/an/an/an/an/an/an/a



University of Nebraska

Curated by PDSP Ki Database




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


(Homo sapiens (Human))
BDBM50082851
PNG
(4-(3,4-Difluoro-phenyl)-6-methyl-3-{3-[(R)-2-methy...)
Show SMILES COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCN(C[C@H]1C)c1ccccc1[N+]([O-])=O
Show InChI InChI=1S/C28H32F2N6O6/c1-17-16-34(22-7-4-5-8-23(22)36(40)41)14-13-33(17)12-6-11-31-27(38)35-25(19-9-10-20(29)21(30)15-19)24(26(37)42-3)18(2)32-28(35)39/h4-5,7-10,15,17,25H,6,11-14,16H2,1-3H3,(H,31,38)(H,32,39)/t17-,25?/m1/s1
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0.0500n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
In vitro binding affinity against Alpha-1A adrenergic receptor of human liver microsomes.


Citation and Details
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM22867
PNG
(1,1-diethyl-3-[(8beta)-6-methyl-9,10-didehydroergo...)
Show SMILES CCN(CC)C(=O)N[C@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34
Show InChI InChI=1S/C20H26N4O/c1-4-24(5-2)20(25)22-14-10-16-15-7-6-8-17-19(15)13(11-21-17)9-18(16)23(3)12-14/h6-8,10-11,14,18,21H,4-5,9,12H2,1-3H3,(H,22,25)/t14-,18-/m1/s1
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0.0500n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by PDSP Ki Database




J Pharmacol Exp Ther 303: 791-804 (2002)

More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM81806
PNG
(2-(4,5-dihydro-1h-imidazol-2-yl)-2,3-dihydro-1-(2-...)
Show SMILES C=CCn1c(cc2ccccc12)C1=NCCN1
Show InChI InChI=1S/C14H15N3/c1-2-9-17-12-6-4-3-5-11(12)10-13(17)14-15-7-8-16-14/h2-6,10H,1,7-9H2,(H,15,16)
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0.0500n/an/an/an/an/an/an/an/a



University of Nebraska

Curated by PDSP Ki Database




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


(Homo sapiens (Human))
BDBM50060964
PNG
((R)-5-(2-((2-(2-ethoxyphenoxy)ethyl)amino)propyl)-...)
Show SMILES CCOc1ccccc1OCCN[C@H](C)Cc1ccc(OC)c(c1)S(N)(=O)=O
Show InChI InChI=1S/C20H28N2O5S/c1-4-26-17-7-5-6-8-18(17)27-12-11-22-15(2)13-16-9-10-19(25-3)20(14-16)28(21,23)24/h5-10,14-15,22H,4,11-13H2,1-3H3,(H2,21,23,24)/t15-/m1/s1
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0.0501n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human alpha1A adrenoceptor expressed in CHO cells


Eur J Med Chem 45: 5800-7 (2010)

More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(HUMAN)
BDBM50060964
PNG
((R)-5-(2-((2-(2-ethoxyphenoxy)ethyl)amino)propyl)-...)
Show SMILES CCOc1ccccc1OCCN[C@H](C)Cc1ccc(OC)c(c1)S(N)(=O)=O
Show InChI InChI=1S/C20H28N2O5S/c1-4-26-17-7-5-6-8-18(17)27-12-11-22-15(2)13-16-9-10-19(25-3)20(14-16)28(21,23)24/h5-10,14-15,22H,4,11-13H2,1-3H3,(H2,21,23,24)/t15-/m1/s1
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0.0560n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by PDSP Ki Database




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


(HUMAN)
BDBM50023189
PNG
(CHEMBL3297829)
Show SMILES COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c4cc(NC(=O)CCCC(=O)N(C)Cc5ccccc5)ccc4sc3c2=O)CC1
Show InChI InChI=1S/C36H40N6O5S/c1-39(24-25-9-4-3-5-10-25)32(44)14-8-13-31(43)37-26-15-16-30-27(23-26)33-34(48-30)35(45)42(36(46)38-33)22-19-40-17-20-41(21-18-40)28-11-6-7-12-29(28)47-2/h3-7,9-12,15-16,23H,8,13-14,17-22,24H2,1-2H3,(H,37,43)(H,38,46)
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0.0562n/an/an/an/an/an/an/an/a



Universit£ di Catania

Curated by ChEMBL


Assay Description
Displacement of [125I]BE2254 from human alpha1d receptor expressed in HEK293 cells


Eur J Med Chem 83: 419-32 (2014)

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


(Homo sapiens (Human))
BDBM50071654
PNG
(3-{1-[4-(5-Methylsulfanyl-1,1,3-trioxo-1,3-dihydro...)
Show SMILES CSc1ccc2c(c1)C(=O)N(CCCCN1CCC(CC1)n1c3ccccc3oc1=O)S2(=O)=O
Show InChI InChI=1S/C24H27N3O5S2/c1-33-18-8-9-22-19(16-18)23(28)26(34(22,30)31)13-5-4-12-25-14-10-17(11-15-25)27-20-6-2-3-7-21(20)32-24(27)29/h2-3,6-9,16-17H,4-5,10-15H2,1H3
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0.0570n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Ability to displace beta ([125I]-iodo-4-hydroxyphenyl)-ethylaminomethyl tetralone from human cloned Alpha-1a adrenergic receptor stably expressed in ...


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


(HUMAN)
BDBM50060964
PNG
((R)-5-(2-((2-(2-ethoxyphenoxy)ethyl)amino)propyl)-...)
Show SMILES CCOc1ccccc1OCCN[C@H](C)Cc1ccc(OC)c(c1)S(N)(=O)=O
Show InChI InChI=1S/C20H28N2O5S/c1-4-26-17-7-5-6-8-18(17)27-12-11-22-15(2)13-16-9-10-19(25-3)20(14-16)28(21,23)24/h5-10,14-15,22H,4,11-13H2,1-3H3,(H2,21,23,24)/t15-/m1/s1
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0.0580n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against human adrenergic receptor subtype Alpha-1D adrenergic receptor using [3H]-prazosin as radioligand


J Med Chem 40: 3141-3 (1997)

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


(Homo sapiens (Human))
BDBM50082827
PNG
(4-(3,4-Difluoro-phenyl)-6-methyl-2-oxo-3-[3-(4-o-t...)
Show SMILES COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)(c1ccc(C)cc1)c1ccccc1C
Show InChI InChI=1S/C36H40F2N4O4/c1-23-10-13-27(14-11-23)36(28-9-6-5-8-24(28)2)16-20-41(21-17-36)19-7-18-39-34(44)42-32(26-12-15-29(37)30(38)22-26)31(33(43)46-4)25(3)40-35(42)45/h5-6,8-15,22,32H,7,16-21H2,1-4H3,(H,39,44)(H,40,45)
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0.0600n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
In vitro binding affinity against alpha-1A adrenergic receptor of human liver microsomes


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


(Homo sapiens (Human))
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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0.0600n/an/an/an/an/an/an/an/a



Institut de Recherches Servier, Centre de Recherches de Croissy

Curated by PDSP Ki Database




Synapse 35: 79-95 (2000)

More data for this
Ligand-Target Pair
ADRA1A


(PIG)
BDBM78940
PNG
(METHIOTHEPIN | MLS000859918 | Methiothepin mesylat...)
Show SMILES CSc1ccc2Sc3ccccc3CC(N3CCN(C)CC3)c2c1
Show InChI InChI=1S/C20H24N2S2/c1-21-9-11-22(12-10-21)18-13-15-5-3-4-6-19(15)24-20-8-7-16(23-2)14-17(18)20/h3-8,14,18H,9-13H2,1-2H3
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0.0600n/an/an/an/an/an/an/an/a



Uppsala University

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM81804
PNG
(4-chloro-2-(2-imidazolin-2-ylamino)isoindoline | B...)
Show SMILES Clc1cccc2CN(Cc12)N=C1NCCN1
Show InChI InChI=1S/C11H13ClN4/c12-10-3-1-2-8-6-16(7-9(8)10)15-11-13-4-5-14-11/h1-3H,4-7H2,(H2,13,14,15)
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0.0600n/an/an/an/an/an/an/an/a



University of Nebraska

Curated by PDSP Ki Database




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


(Homo sapiens (Human))
BDBM50082811
PNG
(3-{3-[4-Cyano-4-(4-fluoro-phenyl)-piperidin-1-yl]-...)
Show SMILES COCC1=C(C(N(C(=O)NCCCN2CCC(CC2)(C#N)c2ccc(F)cc2)C(=O)N1)c1ccc(F)c(F)c1)C(=O)OC
Show InChI InChI=1S/C30H32F3N5O5/c1-42-17-24-25(27(39)43-2)26(19-4-9-22(32)23(33)16-19)38(29(41)36-24)28(40)35-12-3-13-37-14-10-30(18-34,11-15-37)20-5-7-21(31)8-6-20/h4-9,16,26H,3,10-15,17H2,1-2H3,(H,35,40)(H,36,41)
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0.0600n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
In vitro binding affinity against alpha-1A adrenergic receptor of human liver microsomes


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Ligand-Target Pair
Alpha-1D adrenergic receptor


(HUMAN)
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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PubMed
0.0600n/an/an/an/an/an/an/an/a



Institut de Recherches Servier, Centre de Recherches de Croissy

Curated by PDSP Ki Database




Synapse 35: 79-95 (2000)

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


(Homo sapiens (Human))
BDBM50071655
PNG
(3-{1-[4-(5-Methoxy-1,1,3-trioxo-1,3-dihydro-1lambd...)
Show SMILES COc1ccc2c(c1)C(=O)N(CCCCN1CCC(CC1)n1c3ccccc3oc1=O)S2(=O)=O
Show InChI InChI=1S/C24H27N3O6S/c1-32-18-8-9-22-19(16-18)23(28)26(34(22,30)31)13-5-4-12-25-14-10-17(11-15-25)27-20-6-2-3-7-21(20)33-24(27)29/h2-3,6-9,16-17H,4-5,10-15H2,1H3
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0.0640n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Ability to displace beta ([125I]-iodo-4-hydroxyphenyl)-ethylaminomethyl tetralone from human cloned Alpha-1a adrenergic receptor stably expressed in ...


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Ligand-Target Pair
Cerebral cortex alpha adrenergic receptor


(CALF)
BDBM50328479
PNG
(1-Methyl-4-(8-(1-methyl-1H-tetrazol-5-yl)-10,11-di...)
Show SMILES CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(cc12)-c1nnnn1C
Show InChI InChI=1S/C21H24N6S/c1-25-9-11-27(12-10-25)18-14-15-5-3-4-6-19(15)28-20-8-7-16(13-17(18)20)21-22-23-24-26(21)2/h3-8,13,18H,9-12,14H2,1-2H3
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0.0670n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]prozosin from bovine cloned alpha1a receptor expressed in BHK cells


J Med Chem 53: 7021-34 (2010)

More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(HUMAN)
BDBM50416853
PNG
(CHEMBL43116)
Show SMILES COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1ccccc1
Show InChI InChI=1S/C25H29NO5/c1-27-23-13-8-14-24(28-2)25(23)30-18-16-26-15-17-29-21-11-6-7-12-22(21)31-19-20-9-4-3-5-10-20/h3-14,26H,15-19H2,1-2H3
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0.0676n/an/an/an/an/an/an/an/a



Universit£ di Bari

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human adrenergic Alpha-1D expressed in CHO cells


Bioorg Med Chem 18: 7065-77 (2010)

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


(Homo sapiens (Human))
BDBM50090035
PNG
(4-(3,4-Difluoro-phenyl)-1-methyl-2-oxo-1,2,3,4-tet...)
Show SMILES CN1C=C([C@H](NC1=O)c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)c1ccc(F)cc1C#N
Show InChI InChI=1S/C27H28F3N5O2/c1-34-16-22(25(33-27(34)37)18-3-6-23(29)24(30)14-18)26(36)32-9-2-10-35-11-7-17(8-12-35)21-5-4-20(28)13-19(21)15-31/h3-6,13-14,16-17,25H,2,7-12H2,1H3,(H,32,36)(H,33,37)/t25-/m1/s1
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0.0680n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Evaluated for the ability to displace [125I]- HEAT from human cloned Alpha-1A adrenergic receptor stably expressed in CHO cells.


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More data for this
Ligand-Target Pair
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