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Compile Data Set for Download or QSAR

Found 4396 hits of ki data for polymerid = 1513,49000190,49000200,49000208,9124,9125,9126   
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
Alpha-2A adrenergic receptor [16-465]


(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 |c:10|
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


J Med Chem 43: 1423-6 (2001)


BindingDB Entry DOI: 10.7270/Q2C828HK
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]


(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 |c:10|
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


J Med Chem 43: 765-8 (2000)


BindingDB Entry DOI: 10.7270/Q2251HDX
More data for this
Ligand-Target Pair
Alpha-1B adrenergic receptor


(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)


Article DOI: 10.1021/jm100652h
BindingDB Entry DOI: 10.7270/Q20C4W0P
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (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


J Med Chem 44: 863-72 (2001)


BindingDB Entry DOI: 10.7270/Q23R0TKP
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]


(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


J Med Chem 43: 765-8 (2000)


BindingDB Entry DOI: 10.7270/Q2251HDX
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor [16-465]


(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


J Med Chem 43: 1423-6 (2001)


BindingDB Entry DOI: 10.7270/Q2C828HK
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 |t:9|
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)


Article DOI: 10.1021/jm049619s
BindingDB Entry DOI: 10.7270/Q22F7MZC
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50475529
PNG
(Clopenphendioxan)
Show SMILES COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1ccc(Cl)cc1
Show InChI InChI=1S/C25H28ClNO5/c1-28-23-8-5-9-24(29-2)25(23)31-17-15-27-14-16-30-21-6-3-4-7-22(21)32-18-19-10-12-20(26)13-11-19/h3-13,27H,14-18H2,1-2H3
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0.0316n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from cloned human ADRA1D expressed in CHO cells


J Med Chem 48: 7750-63 (2005)


Article DOI: 10.1021/jm0580398
BindingDB Entry DOI: 10.7270/Q22V2JVF
More data for this
Ligand-Target Pair
Alpha-1B adrenergic receptor


(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)


Article DOI: 10.1021/jm100652h
BindingDB Entry DOI: 10.7270/Q20C4W0P
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50274054
PNG
(CHEMBL4128084)
Show SMILES [H][C@@]12CCCC[C@]1([H])N(CCN2C(=O)OCc1ccccc1)c1nc(N)c2cc(OC)c(OC)cc2n1 |r|
Show InChI InChI=1S/C26H31N5O4/c1-33-22-14-18-19(15-23(22)34-2)28-25(29-24(18)27)30-12-13-31(21-11-7-6-10-20(21)30)26(32)35-16-17-8-4-3-5-9-17/h3-5,8-9,14-15,20-21H,6-7,10-13,16H2,1-2H3,(H2,27,28,29)/t20-,21+/m0/s1
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0.0398n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human alpha1D adrenergic receptor expressed in CHO cell membranes after 30 mins by rapid filtration method


Bioorg Med Chem 26: 3502-3513 (2018)


Article DOI: 10.1016/j.bmc.2018.05.023
BindingDB Entry DOI: 10.7270/Q2X92DS4
More data for this
Ligand-Target Pair
Alpha-1D 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-1D adrenergic receptor, from human clones.


J Med Chem 38: 3415-44 (1995)


BindingDB Entry DOI: 10.7270/Q20G3J6W
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 [H][C@@]12Cc3c[nH]c4cccc(C1=C[C@H](CN2C)NC(=O)N(CC)CC)c34 |r,c:12|
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)


Article DOI: 10.1124/jpet.102.039867
BindingDB Entry DOI: 10.7270/Q2MG7N2F
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 |t:14|
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




J Pharmacol Exp Ther 259: 323-9 (1991)


BindingDB Entry DOI: 10.7270/Q2Z899WV
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50475534
PNG
(CHEMBL198860)
Show SMILES COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1cccc(Cl)c1
Show InChI InChI=1S/C25H28ClNO5/c1-28-23-11-6-12-24(29-2)25(23)31-16-14-27-13-15-30-21-9-3-4-10-22(21)32-18-19-7-5-8-20(26)17-19/h3-12,17,27H,13-16,18H2,1-2H3
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0.0501n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from cloned human ADRA1D expressed in CHO cells


J Med Chem 48: 7750-63 (2005)


Article DOI: 10.1021/jm0580398
BindingDB Entry DOI: 10.7270/Q22V2JVF
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50475537
PNG
(CHEMBL196817)
Show SMILES COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C25H28N2O7/c1-30-23-8-5-9-24(31-2)25(23)33-17-15-26-14-16-32-21-6-3-4-7-22(21)34-18-19-10-12-20(13-11-19)27(28)29/h3-13,26H,14-18H2,1-2H3
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0.0501n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from cloned human ADRA1D expressed in CHO cells


J Med Chem 48: 7750-63 (2005)


Article DOI: 10.1021/jm0580398
BindingDB Entry DOI: 10.7270/Q22V2JVF
More data for this
Ligand-Target Pair
Alpha-1D 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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0.0560n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 300: 478-86 (2002)


Article DOI: 10.1124/jpet.300.2.478
BindingDB Entry DOI: 10.7270/Q2HX1B77
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (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)


Article DOI: 10.1016/j.ejmech.2014.06.057
BindingDB Entry DOI: 10.7270/Q2639RBH
More data for this
Ligand-Target Pair
Alpha-1D 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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0.0580n/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)


Article DOI: 10.1021/jm970364a
BindingDB Entry DOI: 10.7270/Q2R78DBB
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 Clc1cccc2-[#6]-[#7](-[#6]-c12)\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#7]-1
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




J Pharmacol Exp Ther 259: 323-9 (1991)


BindingDB Entry DOI: 10.7270/Q2Z899WV
More data for this
Ligand-Target Pair
Alpha-1D 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)


Article DOI: 10.1002/(SICI)1098-2396(200002)35:2<79::AID-SYN1>3.0.CO;2-X
BindingDB Entry DOI: 10.7270/Q2XK8D4N
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50274049
PNG
(CHEMBL342062)
Show SMILES [H][C@@]12CCCC[C@]1([H])N(CCN2C(=O)c1ccco1)c1nc(N)c2cc(OC)c(OC)cc2n1
Show InChI InChI=1S/C23H27N5O4/c1-30-19-12-14-15(13-20(19)31-2)25-23(26-21(14)24)28-10-9-27(16-6-3-4-7-17(16)28)22(29)18-8-5-11-32-18/h5,8,11-13,16-17H,3-4,6-7,9-10H2,1-2H3,(H2,24,25,26)/t16-,17+/m1/s1
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0.0603n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human alpha1D adrenergic receptor expressed in CHO cell membranes after 30 mins by rapid filtration method


Bioorg Med Chem 26: 3502-3513 (2018)


Article DOI: 10.1016/j.bmc.2018.05.023
BindingDB Entry DOI: 10.7270/Q2X92DS4
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50475538
PNG
(CHEMBL200366)
Show SMILES COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1ccc(C)cc1
Show InChI InChI=1S/C26H31NO5/c1-20-11-13-21(14-12-20)19-32-23-8-5-4-7-22(23)30-17-15-27-16-18-31-26-24(28-2)9-6-10-25(26)29-3/h4-14,27H,15-19H2,1-3H3
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0.0631n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from cloned human ADRA1D expressed in CHO cells


J Med Chem 48: 7750-63 (2005)


Article DOI: 10.1021/jm0580398
BindingDB Entry DOI: 10.7270/Q22V2JVF
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50475532
PNG
(CHEMBL197442)
Show SMILES COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C25H28N2O7/c1-30-23-11-6-12-24(31-2)25(23)33-16-14-26-13-15-32-21-9-3-4-10-22(21)34-18-19-7-5-8-20(17-19)27(28)29/h3-12,17,26H,13-16,18H2,1-2H3
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0.0631n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from cloned human ADRA1D expressed in CHO cells


J Med Chem 48: 7750-63 (2005)


Article DOI: 10.1021/jm0580398
BindingDB Entry DOI: 10.7270/Q22V2JVF
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50274053
PNG
(CHEMBL4126860)
Show SMILES [H][C@@]12CCCC[C@]1([H])N(CCN2C(=O)c1ccco1)c1nc(N(CCC)CCC)c2cc(OC)c(OC)cc2n1 |r|
Show InChI InChI=1S/C29H39N5O4/c1-5-13-32(14-6-2)27-20-18-25(36-3)26(37-4)19-21(20)30-29(31-27)34-16-15-33(22-10-7-8-11-23(22)34)28(35)24-12-9-17-38-24/h9,12,17-19,22-23H,5-8,10-11,13-16H2,1-4H3/t22-,23+/m1/s1
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0.0631n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from human alpha1D adrenergic receptor expressed in CHO cell membranes after 30 mins by rapid filtration method


Bioorg Med Chem 26: 3502-3513 (2018)


Article DOI: 10.1016/j.bmc.2018.05.023
BindingDB Entry DOI: 10.7270/Q2X92DS4
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (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)


Article DOI: 10.1016/j.bmc.2010.08.002
BindingDB Entry DOI: 10.7270/Q2B27WKF
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (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£ degli Studi di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from cloned human ADRA1D expressed in CHO cells


J Med Chem 48: 7750-63 (2005)


Article DOI: 10.1021/jm0580398
BindingDB Entry DOI: 10.7270/Q22V2JVF
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50370036
PNG
(CHEMBL1203855)
Show SMILES Brc1csc(Cc2cnc[nH]2)c1Br
Show InChI InChI=1S/C8H6Br2N2S/c9-6-3-13-7(8(6)10)1-5-2-11-4-12-5/h2-4H,1H2,(H,11,12)
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0.0700n/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


J Med Chem 44: 863-72 (2001)


BindingDB Entry DOI: 10.7270/Q23R0TKP
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
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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0.0700n/an/an/an/an/an/an/an/a



Roche Bioscience

Curated by PDSP Ki Database




Biochem Pharmacol 55: 1035-43 (1998)


Article DOI: 10.1016/s0006-2952(97)00631-x
BindingDB Entry DOI: 10.7270/Q2T72G01
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50370037
PNG
(CHEMBL1744288)
Show SMILES CCc1sccc1Cc1cnc[nH]1
Show InChI InChI=1S/C10H12N2S/c1-2-10-8(3-4-13-10)5-9-6-11-7-12-9/h3-4,6-7H,2,5H2,1H3,(H,11,12)
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0.0700n/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


J Med Chem 44: 863-72 (2001)


BindingDB Entry DOI: 10.7270/Q23R0TKP
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50417006
PNG
(CHEMBL1256414)
Show SMILES C1[C@@H]2c3ccccc3C[C@]12c1cnc[nH]1 |r|
Show InChI InChI=1S/C13H12N2/c1-2-4-10-9(3-1)5-13(6-11(10)13)12-7-14-8-15-12/h1-4,7-8,11H,5-6H2,(H,14,15)/t11-,13+/m1/s1
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0.0790n/an/an/an/an/an/an/an/a



Pierre Fabre Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H]-RX821002 from human adrenergic alpha2A receptor expressed in rat C6 cells after 120 mins by liquid scintillation counting


J Med Chem 53: 6986-95 (2010)


Article DOI: 10.1021/jm1006269
BindingDB Entry DOI: 10.7270/Q2T154X2
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50370035
PNG
(CHEMBL1788145)
Show SMILES CC(c1cnc[nH]1)c1cscc1Br
Show InChI InChI=1S/C9H9BrN2S/c1-6(9-2-11-5-12-9)7-3-13-4-8(7)10/h2-6H,1H3,(H,11,12)
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0.0800n/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


J Med Chem 44: 863-72 (2001)


BindingDB Entry DOI: 10.7270/Q23R0TKP
More data for this
Ligand-Target Pair
Alpha-1B adrenergic receptor


(C.H.O.)
BDBM50328500
PNG
(CHEMBL1259144 | rac-N-((11-(4-Methylpiperazin-1-yl...)
Show SMILES CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(CNC(C)=O)cc12
Show InChI InChI=1S/C22H27N3OS/c1-16(26)23-15-17-7-8-22-19(13-17)20(25-11-9-24(2)10-12-25)14-18-5-3-4-6-21(18)27-22/h3-8,13,20H,9-12,14-15H2,1-2H3,(H,23,26)
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0.0810n/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)


Article DOI: 10.1021/jm100652h
BindingDB Entry DOI: 10.7270/Q20C4W0P
More data for this
Ligand-Target Pair
Alpha-1B adrenergic receptor


(C.H.O.)
BDBM50328496
PNG
(11-(4-Methylpiperazin-1-yl)-10,11-dihydrodibenzo[b...)
Show SMILES CN1CCN(CC1)C1Cc2ccccc2Sc2ccc(cc12)C#N
Show InChI InChI=1S/C20H21N3S/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,8-11,13H2,1H3
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0.0880n/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)


Article DOI: 10.1021/jm100652h
BindingDB Entry DOI: 10.7270/Q20C4W0P
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50370026
PNG
(CHEMBL1744273)
Show SMILES Clc1cc(Cc2cnc[nH]2)c(Cl)s1
Show InChI InChI=1S/C8H6Cl2N2S/c9-7-2-5(8(10)13-7)1-6-3-11-4-12-6/h2-4H,1H2,(H,11,12)
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0.0880n/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


J Med Chem 44: 863-72 (2001)


BindingDB Entry DOI: 10.7270/Q23R0TKP
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50370020
PNG
(CHEMBL1744270)
Show SMILES C(c1cnc[nH]1)c1csc2ccccc12
Show InChI InChI=1S/C12H10N2S/c1-2-4-12-11(3-1)9(7-15-12)5-10-6-13-8-14-10/h1-4,6-8H,5H2,(H,13,14)
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0.0900n/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


J Med Chem 44: 863-72 (2001)


BindingDB Entry DOI: 10.7270/Q23R0TKP
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50475530
PNG
(CHEMBL200580)
Show SMILES COc1ccc(COc2ccccc2OCCNCCOc2c(OC)cccc2OC)cc1
Show InChI InChI=1S/C26H31NO6/c1-28-21-13-11-20(12-14-21)19-33-23-8-5-4-7-22(23)31-17-15-27-16-18-32-26-24(29-2)9-6-10-25(26)30-3/h4-14,27H,15-19H2,1-3H3
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0.100n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from cloned human ADRA1D expressed in CHO cells


J Med Chem 48: 7750-63 (2005)


Article DOI: 10.1021/jm0580398
BindingDB Entry DOI: 10.7270/Q22V2JVF
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50370021
PNG
(CHEMBL1744272)
Show SMILES Cc1csc(C)c1Cc1cnc[nH]1
Show InChI InChI=1S/C10H12N2S/c1-7-5-13-8(2)10(7)3-9-4-11-6-12-9/h4-6H,3H2,1-2H3,(H,11,12)
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0.100n/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


J Med Chem 44: 863-72 (2001)


BindingDB Entry DOI: 10.7270/Q23R0TKP
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50163479
PNG
(CHEMBL176261 | Dimethyl-(2-{(3R,3aS)-3-[4-((E)-2-m...)
Show SMILES CN(C)CCOc1ccc2C3=NO[C@@H](CN4CCN(C\C(C)=C\c5ccccc5)CC4)[C@@H]3COc2c1 |t:10|
Show InChI InChI=1S/C29H38N4O3/c1-22(17-23-7-5-4-6-8-23)19-32-11-13-33(14-12-32)20-28-26-21-35-27-18-24(34-16-15-31(2)3)9-10-25(27)29(26)30-36-28/h4-10,17-18,26,28H,11-16,19-21H2,1-3H3/b22-17+/t26-,28-/m0/s1
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0.100n/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)


Article DOI: 10.1021/jm049619s
BindingDB Entry DOI: 10.7270/Q22F7MZC
More data for this
Ligand-Target Pair
Alpha-2A 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 |t:9|
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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0.100n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Binding affinity for alpha-2A adrenergic receptor


J Med Chem 48: 2054-71 (2005)


Article DOI: 10.1021/jm049619s
BindingDB Entry DOI: 10.7270/Q22F7MZC
More data for this
Ligand-Target Pair
Alpha-1D 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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0.100n/an/an/an/an/an/an/an/a



Universit£ di Camerino

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.ejmech.2010.09.042
BindingDB Entry DOI: 10.7270/Q2TX3GNT
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(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 |c:29|
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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0.100n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Inhibition of [3H]- rauwolscine binding to alpha-2C adrenergic receptor


J Med Chem 48: 2054-71 (2005)


Article DOI: 10.1021/jm049619s
BindingDB Entry DOI: 10.7270/Q22F7MZC
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50163468
PNG
((3R,3aS)-3-[4-((E)-2-Methyl-3-phenyl-allyl)-pipera...)
Show SMILES C\C(CN1CCN(C[C@@H]2ON=C3[C@H]2COc2cc(O)ccc32)CC1)=C/c1ccccc1 |c:10|
Show InChI InChI=1S/C25H29N3O3/c1-18(13-19-5-3-2-4-6-19)15-27-9-11-28(12-10-27)16-24-22-17-30-23-14-20(29)7-8-21(23)25(22)26-31-24/h2-8,13-14,22,24,29H,9-12,15-17H2,1H3/b18-13+/t22-,24-/m0/s1
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0.100n/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)


Article DOI: 10.1021/jm049619s
BindingDB Entry DOI: 10.7270/Q22F7MZC
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50024301
PNG
(CHEMBL2112985)
Show SMILES [H][C@@]12CNc3cc(OC)c(OC)cc3C1=NO[C@H]2CN1CCN(C\C(C)=C\c2ccccc2)CC1 |c:16|
Show InChI InChI=1S/C27H34N4O3/c1-19(13-20-7-5-4-6-8-20)17-30-9-11-31(12-10-30)18-26-22-16-28-23-15-25(33-3)24(32-2)14-21(23)27(22)29-34-26/h4-8,13-15,22,26,28H,9-12,16-18H2,1-3H3/b19-13+/t22-,26-/m0/s1
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0.100n/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)


Article DOI: 10.1021/jm049619s
BindingDB Entry DOI: 10.7270/Q22F7MZC
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50163479
PNG
(CHEMBL176261 | Dimethyl-(2-{(3R,3aS)-3-[4-((E)-2-m...)
Show SMILES CN(C)CCOc1ccc2C3=NO[C@@H](CN4CCN(C\C(C)=C\c5ccccc5)CC4)[C@@H]3COc2c1 |t:10|
Show InChI InChI=1S/C29H38N4O3/c1-22(17-23-7-5-4-6-8-23)19-32-11-13-33(14-12-32)20-28-26-21-35-27-18-24(34-16-15-31(2)3)9-10-25(27)29(26)30-36-28/h4-10,17-18,26,28H,11-16,19-21H2,1-3H3/b22-17+/t26-,28-/m0/s1
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0.100n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development

Curated by ChEMBL


Assay Description
Binding affinity for alpha-2A adrenergic receptor


J Med Chem 48: 2054-71 (2005)


Article DOI: 10.1021/jm049619s
BindingDB Entry DOI: 10.7270/Q22F7MZC
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50417006
PNG
(CHEMBL1256414)
Show SMILES C1[C@@H]2c3ccccc3C[C@]12c1cnc[nH]1 |r|
Show InChI InChI=1S/C13H12N2/c1-2-4-10-9(3-1)5-13(6-11(10)13)12-7-14-8-15-12/h1-4,7-8,11H,5-6H2,(H,14,15)/t11-,13+/m1/s1
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0.110n/an/an/an/an/an/an/an/a



Pierre Fabre Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H]-RX821002 from human adrenergic alpha2B receptor expressed in rat C6 cells after 120 mins by liquid scintillation counting


J Med Chem 53: 6986-95 (2010)


Article DOI: 10.1021/jm1006269
BindingDB Entry DOI: 10.7270/Q2T154X2
More data for this
Ligand-Target Pair
Alpha-1B adrenergic receptor


(HAMSTER)
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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0.120n/an/an/an/an/an/an/an/a



Duke University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 272: 134-42 (1995)


BindingDB Entry DOI: 10.7270/Q2ZC81CG
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50475540
PNG
(CHEMBL382972)
Show SMILES COc1cccc(OC)c1OCCNCCOc1ccccc1OCc1ccccc1C
Show InChI InChI=1S/C26H31NO5/c1-20-9-4-5-10-21(20)19-32-23-12-7-6-11-22(23)30-17-15-27-16-18-31-26-24(28-2)13-8-14-25(26)29-3/h4-14,27H,15-19H2,1-3H3
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0.126n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Camerino

Curated by ChEMBL


Assay Description
Displacement of [3H]prazosin from cloned human ADRA1D expressed in CHO cells


J Med Chem 48: 7750-63 (2005)


Article DOI: 10.1021/jm0580398
BindingDB Entry DOI: 10.7270/Q22V2JVF
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50417006
PNG
(CHEMBL1256414)
Show SMILES C1[C@@H]2c3ccccc3C[C@]12c1cnc[nH]1 |r|
Show InChI InChI=1S/C13H12N2/c1-2-4-10-9(3-1)5-13(6-11(10)13)12-7-14-8-15-12/h1-4,7-8,11H,5-6H2,(H,14,15)/t11-,13+/m1/s1
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0.129n/an/an/an/an/an/an/an/a



Pierre Fabre Research Center

Curated by ChEMBL


Assay Description
Displacement of [3H]-RX821002 from human adrenergic Alpha-2C receptor expressed in rat C6 cells after 120 mins by liquid scintillation counting


J Med Chem 53: 6986-95 (2010)


Article DOI: 10.1021/jm1006269
BindingDB Entry DOI: 10.7270/Q2T154X2
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50143697
PNG
(8-{2-[4-(2,5-Dichloro-phenyl)-piperazin-1-yl]-ethy...)
Show SMILES Clc1ccc(Cl)c(c1)N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
Show InChI InChI=1S/C21H27Cl2N3O2/c22-16-3-4-17(23)18(13-16)25-10-7-24(8-11-25)9-12-26-19(27)14-21(15-20(26)28)5-1-2-6-21/h3-4,13H,1-2,5-12,14-15H2
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0.129n/an/an/an/an/an/an/an/a



Universit£ di Catania

Curated by ChEMBL


Assay Description
Displacement of [125I]BE-2254 from human adrenergic Alpha-1D receptor expressed in HEK293 cells


Eur J Med Chem 46: 2676-90 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.054
BindingDB Entry DOI: 10.7270/Q25140G9
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50101664
PNG
(5-Acetyl-4-{2-[4-(2-methoxy-phenyl)-piperazin-1-yl...)
Show SMILES COc1ccccc1N1CCN(CCNc2c(C(C)=O)c(nn(C)c2=O)-c2ccccc2)CC1
Show InChI InChI=1S/C26H31N5O3/c1-19(32)23-24(20-9-5-4-6-10-20)28-29(2)26(33)25(23)27-13-14-30-15-17-31(18-16-30)21-11-7-8-12-22(21)34-3/h4-12,27H,13-18H2,1-3H3
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0.130n/an/an/an/an/an/an/an/a



Istituto Chimico Farmaceutico e Tossicologico

Curated by ChEMBL


Assay Description
Binding affinity towards human cloned alpha1d-adrenoceptor using [3H]-prazosin as radioligand


J Med Chem 44: 2403-10 (2001)


BindingDB Entry DOI: 10.7270/Q2WS8SHW
More data for this
Ligand-Target Pair
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