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Compile Data Set for Download or QSAR

Found 967 hits of ki data for polymerid = 49000208   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Alpha adrenergic receptor (1a and 1d)


(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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PubMed
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)

More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(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)

More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(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)

More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(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


Citation and Details
More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(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


Citation and Details
More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(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




Citation and Details
More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(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


Citation and Details
More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(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)

More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(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)

More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(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)

More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(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)

More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(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)

More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(HUMAN)
BDBM50203482
PNG
(4-fluoro-2-(4-(4-(2-isopropoxyphenyl)piperazin-1-y...)
Show SMILES CC(C)Oc1ccccc1N1CCN(CC1)C1CCC(CC1)N1C(=O)c2cccc(F)c2C1=O
Show InChI InChI=1S/C27H32FN3O3/c1-18(2)34-24-9-4-3-8-23(24)30-16-14-29(15-17-30)19-10-12-20(13-11-19)31-26(32)21-6-5-7-22(28)25(21)27(31)33/h3-9,18-20H,10-17H2,1-2H3
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0.0900n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Displacement of [125]HEAT from human adrenergic alpha1d receptor expressed in CHO cells


Citation and Details
More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(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)

More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(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


Citation and Details
More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(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


Citation and Details
More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(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)

More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(HUMAN)
BDBM50211341
PNG
(5-bromo-6-chloro-N-((1s,4s)-4-(4-(2-isopropoxyphen...)
Show SMILES CC(C)Oc1ccccc1N1CCN(CC1)[C@@H]1CC[C@@H](CC1)NS(=O)(=O)c1cnc(Cl)c(Br)c1
Show InChI InChI=1S/C24H32BrClN4O3S/c1-17(2)33-23-6-4-3-5-22(23)30-13-11-29(12-14-30)19-9-7-18(8-10-19)28-34(31,32)20-15-21(25)24(26)27-16-20/h3-6,15-19,28H,7-14H2,1-2H3/t18-,19+
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0.140n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to human cloned adrenergic alpha1D receptor


Citation and Details
More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(HUMAN)
BDBM50023188
PNG
(CHEMBL3298750)
Show SMILES COc1ccccc1N1CCN(CCn2c(=O)[nH]c3c4cc(NC(=O)CCCC(=O)NCc5ccccc5)ccc4sc3c2=O)CC1
Show InChI InChI=1S/C35H38N6O5S/c1-46-28-11-6-5-10-27(28)40-19-16-39(17-20-40)18-21-41-34(44)33-32(38-35(41)45)26-22-25(14-15-29(26)47-33)37-31(43)13-7-12-30(42)36-23-24-8-3-2-4-9-24/h2-6,8-11,14-15,22H,7,12-13,16-21,23H2,1H3,(H,36,42)(H,37,43)(H,38,45)
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0.141n/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


Citation and Details
More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(HUMAN)
BDBM50414396
PNG
(CHEMBL564481)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN([C@H]2CCCC[C@@H]12)C(=O)C1COc2ccccc2O1
Show InChI InChI=1S/C27H31N5O5/c1-34-22-13-16-17(14-23(22)35-2)29-27(30-25(16)28)32-12-11-31(18-7-3-4-8-19(18)32)26(33)24-15-36-20-9-5-6-10-21(20)37-24/h5-6,9-10,13-14,18-19,24H,3-4,7-8,11-12,15H2,1-2H3,(H2,28,29,30)/t18-,19+,24?/m0/s1
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0.170n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(HUMAN)
BDBM50403649
PNG
(CYCLAZOSIN)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN([C@H]2CCCC[C@@H]12)C(=O)c1ccco1
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+/m0/s1
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0.170n/an/an/an/an/an/an/an/a



University of Camerino

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(HUMAN)
BDBM50370019
PNG
(CHEMBL1203846)
Show SMILES Cc1csc(Cc2cnc[nH]2)c1C
Show InChI InChI=1S/C10H12N2S/c1-7-5-13-10(8(7)2)3-9-4-11-6-12-9/h4-6H,3H2,1-2H3,(H,11,12)
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0.170n/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)

More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(HUMAN)
BDBM50416854
PNG
(CHEMBL1254582)
Show SMILES COc1cccc(OC)c1SCCNCCOc1ccccc1OCc1ccccc1
Show InChI InChI=1S/C25H29NO4S/c1-27-23-13-8-14-24(28-2)25(23)31-18-16-26-15-17-29-21-11-6-7-12-22(21)30-19-20-9-4-3-5-10-20/h3-14,26H,15-19H2,1-2H3
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0.178n/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


Citation and Details
More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(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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0.180n/an/an/an/an/an/an/an/a



The R.W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human alpha-1D adrenergic receptor was determined using [125]-HEAT as radioligand


J Med Chem 43: 2183-95 (2000)

More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(HUMAN)
BDBM50098334
PNG
(4-[1-(3-Bromo-thiophen-2-yl)-ethyl]-1H-imidazole |...)
Show SMILES CC(c1cnc[nH]1)c1sccc1Br
Show InChI InChI=1S/C9H9BrN2S/c1-6(8-4-11-5-12-8)9-7(10)2-3-13-9/h2-6H,1H3,(H,11,12)
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0.180n/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)

More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(HUMAN)
BDBM86846
PNG
(CAS_106133-20-4 | NSC_60147 | Tamsulosin)
Show SMILES CCOc1ccccc1OCCNC(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)
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0.200n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development L.L.C.

Curated by PDSP Ki Database




Citation and Details
More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(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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0.200n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to human cloned adrenergic alpha1d receptor


Citation and Details
More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(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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0.200n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Compound was tested for binding affinity utilizing cloned receptor binding assays by using [125 I]HEAT as radioligand to the human Alpha-1D adrenergi...


Citation and Details
More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(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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0.200n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to human cloned adrenergic alpha1D receptor


Citation and Details
More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(HUMAN)
BDBM50203481
PNG
(2-(4-(4-(2-isopropoxyphenyl)piperazin-1-yl)cyclohe...)
Show SMILES CC(C)Oc1ccccc1N1CCN(CC1)C1CCC(CC1)N1C(=O)c2ccc3ccccc3c2C1=O
Show InChI InChI=1S/C31H35N3O3/c1-21(2)37-28-10-6-5-9-27(28)33-19-17-32(18-20-33)23-12-14-24(15-13-23)34-30(35)26-16-11-22-7-3-4-8-25(22)29(26)31(34)36/h3-11,16,21,23-24H,12-15,17-20H2,1-2H3
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0.200n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Displacement of [125]HEAT from human adrenergic alpha1d receptor expressed in CHO cells


Citation and Details
More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(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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0.230n/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)

More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(HUMAN)
BDBM50370044
PNG
(CHEMBL1744289)
Show SMILES Brc1cscc1Cc1cnc[nH]1
Show InChI InChI=1S/C8H7BrN2S/c9-8-4-12-3-6(8)1-7-2-10-5-11-7/h2-5H,1H2,(H,10,11)
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0.230n/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)

More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(HUMAN)
BDBM50417541
PNG
(CHEMBL1630938)
Show SMILES COc1ccc(C[C@@H](C)NCCOc2ccccc2OC(C)C)cc1S(N)(=O)=O
Show InChI InChI=1S/C21H30N2O5S/c1-15(2)28-19-8-6-5-7-18(19)27-12-11-23-16(3)13-17-9-10-20(26-4)21(14-17)29(22,24)25/h5-10,14-16,23H,11-13H2,1-4H3,(H2,22,24,25)/t16-/m1/s1
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0.245n/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


Citation and Details
More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(HUMAN)
BDBM50101657
PNG
(4-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethylam...)
Show SMILES CCC(=O)c1c(NCCN2CCN(CC2)c2ccccc2OC)c(=O)n(C)nc1-c1ccccc1
Show InChI InChI=1S/C27H33N5O3/c1-4-22(33)24-25(20-10-6-5-7-11-20)29-30(2)27(34)26(24)28-14-15-31-16-18-32(19-17-31)21-12-8-9-13-23(21)35-3/h5-13,28H,4,14-19H2,1-3H3
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0.25n/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)

More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(HUMAN)
BDBM50101654
PNG
(5-Acetyl-4-{2-[4-(2-chloro-phenyl)-piperazin-1-yl]...)
Show SMILES CC(=O)c1c(NCCN2CCN(CC2)c2ccccc2Cl)c(=O)n(C)nc1-c1ccccc1
Show InChI InChI=1S/C25H28ClN5O2/c1-18(32)22-23(19-8-4-3-5-9-19)28-29(2)25(33)24(22)27-12-13-30-14-16-31(17-15-30)21-11-7-6-10-20(21)26/h3-11,27H,12-17H2,1-2H3
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0.25n/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)

More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(HUMAN)
BDBM50099322
PNG
(3-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...)
Show SMILES COc1ccccc1N1CCN(CCn2c(=O)[nH]c3scc(-c4ccccc4)c3c2=O)CC1
Show InChI InChI=1S/C25H26N4O3S/c1-32-21-10-6-5-9-20(21)28-14-11-27(12-15-28)13-16-29-24(30)22-19(18-7-3-2-4-8-18)17-33-23(22)26-25(29)31/h2-10,17H,11-16H2,1H3,(H,26,31)
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0.252n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human Alpha-1D adrenergic receptor


Bioorg Med Chem Lett 11: 1119-21 (2001)

More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(HUMAN)
BDBM50370043
PNG
(CHEMBL1744263)
Show SMILES CCc1cscc1C(C)c1cnc[nH]1
Show InChI InChI=1S/C11H14N2S/c1-3-9-5-14-6-10(9)8(2)11-4-12-7-13-11/h4-8H,3H2,1-2H3,(H,12,13)
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0.280n/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)

More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(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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0.290n/an/an/an/an/an/an/an/a



Università di Milano

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity on [3H]- prazosin as specific ligand on Human cloned alpha-1D adrenergic receptor in CHO cells


Citation and Details
More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(HUMAN)
BDBM50370033
PNG
(CHEMBL1744278)
Show SMILES CCc1cscc1Cc1cnc[nH]1
Show InChI InChI=1S/C10H12N2S/c1-2-8-5-13-6-9(8)3-10-4-11-7-12-10/h4-7H,2-3H2,1H3,(H,11,12)
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0.290n/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)

More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(HUMAN)
BDBM50203485
PNG
(5,6-dichloro-2-(4-(4-(2-isopropoxyphenyl)piperazin...)
Show SMILES CC(C)Oc1ccccc1N1CCN(CC1)C1CCC(CC1)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O
Show InChI InChI=1S/C27H31Cl2N3O3/c1-17(2)35-25-6-4-3-5-24(25)31-13-11-30(12-14-31)18-7-9-19(10-8-18)32-26(33)20-15-22(28)23(29)16-21(20)27(32)34/h3-6,15-19H,7-14H2,1-2H3
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0.300n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Displacement of [125]HEAT from human adrenergic alpha1d receptor expressed in CHO cells


Citation and Details
More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(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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0.300n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Ability to displace [3H]prazosin from cloned human Alpha-1D adrenergic receptor


J Med Chem 38: 1579-81 (1995)

More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(HUMAN)
BDBM82517
PNG
(2-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-...)
Show SMILES COc1ccccc1N1CCN(CCCCN2C(=O)c3ccccc3C2=O)CC1
Show InChI InChI=1S/C23H27N3O3/c1-29-21-11-5-4-10-20(21)25-16-14-24(15-17-25)12-6-7-13-26-22(27)18-8-2-3-9-19(18)23(26)28/h2-5,8-11H,6-7,12-17H2,1H3
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0.300n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Displacement of [125]HEAT from human adrenergic alpha1d receptor expressed in CHO cells


Citation and Details
More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(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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0.300n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


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


J Med Chem 42: 4778-93 (1999)

More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(HUMAN)
BDBM50099320
PNG
(3-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...)
Show SMILES COc1ccccc1N1CCN(CCn2c(=O)[nH]c3sccc3c2=O)CC1
Show InChI InChI=1S/C19H22N4O3S/c1-26-16-5-3-2-4-15(16)22-10-7-21(8-11-22)9-12-23-18(24)14-6-13-27-17(14)20-19(23)25/h2-6,13H,7-12H2,1H3,(H,20,25)
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0.308n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human Alpha-1D adrenergic receptor


Bioorg Med Chem Lett 11: 1119-21 (2001)

More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(HUMAN)
BDBM50099325
PNG
(3-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-...)
Show SMILES COc1ccccc1N1CCN(CCn2c(=O)[nH]c3scc(-c4cccc(C)c4)c3c2=O)CC1
Show InChI InChI=1S/C26H28N4O3S/c1-18-6-5-7-19(16-18)20-17-34-24-23(20)25(31)30(26(32)27-24)15-12-28-10-13-29(14-11-28)21-8-3-4-9-22(21)33-2/h3-9,16-17H,10-15H2,1-2H3,(H,27,32)
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0.312n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human Alpha-1D adrenergic receptor


Bioorg Med Chem Lett 11: 1119-21 (2001)

More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(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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0.320n/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)

More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(HUMAN)
BDBM50417542
PNG
(CHEMBL1630939)
Show SMILES COc1ccc(C[C@@H](C)NCCOc2ccccc2OCc2ccccc2)cc1S(N)(=O)=O
Show InChI InChI=1S/C25H30N2O5S/c1-19(16-21-12-13-24(30-2)25(17-21)33(26,28)29)27-14-15-31-22-10-6-7-11-23(22)32-18-20-8-4-3-5-9-20/h3-13,17,19,27H,14-16,18H2,1-2H3,(H2,26,28,29)/t19-/m1/s1
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0.324n/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


Citation and Details
More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(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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0.330n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against human Alpha-1D adrenergic receptor (h alpha-1d)


Bioorg Med Chem Lett 9: 2843-8 (1999)

More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(HUMAN)
BDBM50370023
PNG
(CHEMBL1203850)
Show SMILES Brc1ccsc1Cc1cnc[nH]1
Show InChI InChI=1S/C8H7BrN2S/c9-7-1-2-12-8(7)3-6-4-10-5-11-6/h1-2,4-5H,3H2,(H,10,11)
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0.350n/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)

More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(HUMAN)
BDBM50223565
PNG
(3,4-dimethoxy-N-((1s,4s)-4-(4-(2-(2,2,2-trifluoroe...)
Show SMILES COc1ccc(cc1OC)S(=O)(=O)N[C@H]1CC[C@H](CC1)N1CCN(CC1)c1ccccc1OCC(F)(F)F
Show InChI InChI=1S/C26H34F3N3O5S/c1-35-24-12-11-21(17-25(24)36-2)38(33,34)30-19-7-9-20(10-8-19)31-13-15-32(16-14-31)22-5-3-4-6-23(22)37-18-26(27,28)29/h3-6,11-12,17,19-20,30H,7-10,13-16,18H2,1-2H3/t19-,20+
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0.350n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to human cloned adrenergic alpha1d receptor


Citation and Details
More data for this
Ligand-Target Pair
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