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Compile Data Set for Download or QSAR

Found 64 hits of Enz. Inhib. data with enzyme = 'Alpha-1D adrenergic receptor' and Substrate = 'to-be-curated'   
Target/Host
(Institution)
LigandTarget/Host
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-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




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


BindingDB Entry DOI: 10.7270/Q2HX1B77
More data for this
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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Article
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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
BindingDB Entry DOI: 10.7270/Q2XK8D4N
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(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




Bioorg Med Chem Lett 18: 640-4 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.068
BindingDB Entry DOI: 10.7270/Q27H1H5S
More data for this
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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0.380n/an/an/an/an/an/an/an/a



Emory University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 302: 58-65 (2002)


BindingDB Entry DOI: 10.7270/Q2PG1Q9R
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(HUMAN)
BDBM50033111
PNG
(1-(4-Amino-6,7-dimethoxy-2-quinazolinyl)-4-((tetra...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C1CCCO1
Show InChI InChI=1S/C19H25N5O4/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/h10-11,14H,3-9H2,1-2H3,(H2,20,21,22)
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0.660n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by PDSP Ki Database




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


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


(HUMAN)
BDBM85848
PNG
(CAS_172307 | Fiduxosin | NSC_172307)
Show SMILES COc1cccc2OCC3CN(CCCCn4c(=O)[nH]c5c6nc(cnc6sc5c4=O)-c4ccccc4)CC3c12
Show InChI InChI=1S/C30H29N5O4S/c1-38-22-10-7-11-23-24(22)20-16-34(15-19(20)17-39-23)12-5-6-13-35-29(36)27-25(33-30(35)37)26-28(40-27)31-14-21(32-26)18-8-3-2-4-9-18/h2-4,7-11,14,19-20H,5-6,12-13,15-17H2,1H3,(H,33,37)
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0.910n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by PDSP Ki Database




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


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


(HUMAN)
BDBM81993
PNG
(BROMOCRIPTINE | Bromocriptine+ (GTP+) | Bromocript...)
Show SMILES CC(C)C[C@@H]1N2C(=O)[C@](NC(=O)[C@H]3CN(C)[C@@H]4Cc5c(Br)[nH]c6cccc(C4=C3)c56)(O[C@@]2(O)[C@@H]2CCCN2C1=O)C(C)C
Show InChI InChI=1S/C32H40BrN5O5/c1-16(2)12-24-29(40)37-11-7-10-25(37)32(42)38(24)30(41)31(43-32,17(3)4)35-28(39)18-13-20-19-8-6-9-22-26(19)21(27(33)34-22)14-23(20)36(5)15-18/h6,8-9,13,16-18,23-25,34,42H,7,10-12,14-15H2,1-5H3,(H,35,39)/t18-,23-,24+,25+,31-,32+/m1/s1
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1.12n/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-1D adrenergic receptor


(HUMAN)
BDBM86848
PNG
(1-(2,5-difluorophenyl)-3-(4-(4-(2-isopropoxyphenyl...)
Show SMILES CC(C)Oc1ccccc1N1CCN(CC1)C1CCC(CC1)NC(=O)Nc1cc(F)ccc1F
Show InChI InChI=1S/C26H34F2N4O2/c1-18(2)34-25-6-4-3-5-24(25)32-15-13-31(14-16-32)21-10-8-20(9-11-21)29-26(33)30-23-17-19(27)7-12-22(23)28/h3-7,12,17-18,20-21H,8-11,13-16H2,1-2H3,(H2,29,30,33)
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1.20n/an/an/an/an/an/an/an/a



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

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 640-4 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.068
BindingDB Entry DOI: 10.7270/Q27H1H5S
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(HUMAN)
BDBM50002173
PNG
(3-(4-(3,6-dihydro-4-phenyl-1(2H)-pyridinyl)butyl)-...)
Show SMILES Oc1ccc2[nH]cc(CCCCN3CCC(=CC3)c3ccccc3)c2c1
Show InChI InChI=1S/C23H26N2O/c26-21-9-10-23-22(16-21)20(17-24-23)8-4-5-13-25-14-11-19(12-15-25)18-6-2-1-3-7-18/h1-3,6-7,9-11,16-17,24,26H,4-5,8,12-15H2
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1.35n/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-1D adrenergic receptor


(HUMAN)
BDBM86853
PNG
(1-(3-chlorophenyl)-3-(4-(4-(2-isopropoxyphenyl)pip...)
Show SMILES CC(C)Oc1ccccc1N1CCN(CC1)C1CCC(CC1)NC(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C26H35ClN4O2/c1-19(2)33-25-9-4-3-8-24(25)31-16-14-30(15-17-31)23-12-10-21(11-13-23)28-26(32)29-22-7-5-6-20(27)18-22/h3-9,18-19,21,23H,10-17H2,1-2H3,(H2,28,29,32)
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1.5n/an/an/an/an/an/an/an/a



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

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 640-4 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.068
BindingDB Entry DOI: 10.7270/Q27H1H5S
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(HUMAN)
BDBM86843
PNG
(1-(3,4-difluorophenyl)-3-(4-(4-(2-isopropoxyphenyl...)
Show SMILES CC(C)Oc1ccccc1N1CCN(CC1)C1CCC(CC1)NC(=O)Nc1ccc(F)c(F)c1
Show InChI InChI=1S/C26H34F2N4O2/c1-18(2)34-25-6-4-3-5-24(25)32-15-13-31(14-16-32)21-10-7-19(8-11-21)29-26(33)30-20-9-12-22(27)23(28)17-20/h3-6,9,12,17-19,21H,7-8,10-11,13-16H2,1-2H3,(H2,29,30,33)
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1.60n/an/an/an/an/an/an/an/a



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

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 640-4 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.068
BindingDB Entry DOI: 10.7270/Q27H1H5S
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(HUMAN)
BDBM50026917
PNG
(8-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)-8-a...)
Show SMILES COc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
Show InChI InChI=1S/C22H31N3O3/c1-28-19-7-3-2-6-18(19)24-13-10-23(11-14-24)12-15-25-20(26)16-22(17-21(25)27)8-4-5-9-22/h2-3,6-7H,4-5,8-17H2,1H3
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2.51n/an/an/an/an/an/an/an/a



Emory University

Curated by PDSP Ki Database




J Pharmacol Exp Ther 302: 58-65 (2002)


BindingDB Entry DOI: 10.7270/Q2PG1Q9R
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(HUMAN)
BDBM86852
PNG
(1-(2,6-dichlorophenyl)-3-(4-(4-(2-isopropoxyphenyl...)
Show SMILES CC(C)Oc1ccccc1N1CCN(CC1)C1CCC(CC1)NC(=O)Nc1c(Cl)cccc1Cl
Show InChI InChI=1S/C26H34Cl2N4O2/c1-18(2)34-24-9-4-3-8-23(24)32-16-14-31(15-17-32)20-12-10-19(11-13-20)29-26(33)30-25-21(27)6-5-7-22(25)28/h3-9,18-20H,10-17H2,1-2H3,(H2,29,30,33)
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2.60n/an/an/an/an/an/an/an/a



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

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 640-4 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.068
BindingDB Entry DOI: 10.7270/Q27H1H5S
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(HUMAN)
BDBM86844
PNG
(1-(5-chloro-2-methoxyphenyl)-3-(4-(4-(2-isopropoxy...)
Show SMILES COc1ccc(Cl)cc1NC(=O)NC1CCC(CC1)N1CCN(CC1)c1ccccc1OC(C)C
Show InChI InChI=1S/C27H37ClN4O3/c1-19(2)35-26-7-5-4-6-24(26)32-16-14-31(15-17-32)22-11-9-21(10-12-22)29-27(33)30-23-18-20(28)8-13-25(23)34-3/h4-8,13,18-19,21-22H,9-12,14-17H2,1-3H3,(H2,29,30,33)
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2.70n/an/an/an/an/an/an/an/a



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

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 640-4 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.068
BindingDB Entry DOI: 10.7270/Q27H1H5S
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(HUMAN)
BDBM86850
PNG
(1-(2,4-difluorophenyl)-3-(4-(4-(2-isopropoxyphenyl...)
Show SMILES CC(C)Oc1ccccc1N1CCN(CC1)C1CCC(CC1)NC(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C26H34F2N4O2/c1-18(2)34-25-6-4-3-5-24(25)32-15-13-31(14-16-32)21-10-8-20(9-11-21)29-26(33)30-23-12-7-19(27)17-22(23)28/h3-7,12,17-18,20-21H,8-11,13-16H2,1-2H3,(H2,29,30,33)
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2.70n/an/an/an/an/an/an/an/a



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

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 640-4 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.068
BindingDB Entry DOI: 10.7270/Q27H1H5S
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(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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2.95n/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-1D adrenergic receptor


(HUMAN)
BDBM86851
PNG
(1-(2-chlorophenyl)-3-(4-(4-(2-isopropoxyphenyl)pip...)
Show SMILES CC(C)Oc1ccccc1N1CCN(CC1)C1CCC(CC1)NC(=O)Nc1ccccc1Cl
Show InChI InChI=1S/C26H35ClN4O2/c1-19(2)33-25-10-6-5-9-24(25)31-17-15-30(16-18-31)21-13-11-20(12-14-21)28-26(32)29-23-8-4-3-7-22(23)27/h3-10,19-21H,11-18H2,1-2H3,(H2,28,29,32)
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3n/an/an/an/an/an/an/an/a



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

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 640-4 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.068
BindingDB Entry DOI: 10.7270/Q27H1H5S
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(HUMAN)
BDBM86847
PNG
(1-(4-(4-(2-isopropoxyphenyl)piperazin-1-yl)cyclohe...)
Show SMILES CC(C)Oc1ccccc1N1CCN(CC1)C1CCC(CC1)NC(=O)Nc1c(Cl)cc(Cl)cc1Cl
Show InChI InChI=1S/C26H33Cl3N4O2/c1-17(2)35-24-6-4-3-5-23(24)33-13-11-32(12-14-33)20-9-7-19(8-10-20)30-26(34)31-25-21(28)15-18(27)16-22(25)29/h3-6,15-17,19-20H,7-14H2,1-2H3,(H2,30,31,34)
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3.70n/an/an/an/an/an/an/an/a



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

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 640-4 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.068
BindingDB Entry DOI: 10.7270/Q27H1H5S
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(HUMAN)
BDBM50017519
PNG
(1,1-Diethyl-3-(7-methyl-4,6,6a,7,8,9,10,10a-octahy...)
Show SMILES CCN(CC)C(=O)N[C@H]1C[C@H]2[C@@H](Cc3c[nH]c4cccc2c34)N(C)C1
Show InChI InChI=1S/C20H28N4O/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/h6-8,11,14,16,18,21H,4-5,9-10,12H2,1-3H3,(H,22,25)/t14-,16+,18+/m0/s1
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3.89n/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-1D adrenergic receptor


(HUMAN)
BDBM86709
PNG
(Rec 27/0074)
Show SMILES COc1ccccc1N(CCN1CCN(CC1)c1ccccc1OC)C(=O)C1CCCCC1
Show InChI InChI=1S/C27H37N3O3/c1-32-25-14-8-6-12-23(25)29-19-16-28(17-20-29)18-21-30(24-13-7-9-15-26(24)33-2)27(31)22-10-4-3-5-11-22/h6-9,12-15,22H,3-5,10-11,16-21H2,1-2H3
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4.17n/an/an/an/an/an/an/an/a



Universit&aagrove; di Firenze

Curated by PDSP Ki Database




J Pharmacol Exp Ther 315: 109-17 (2005)


Article DOI: 10.1124/jpet.105.087809
BindingDB Entry DOI: 10.7270/Q2VD6X2V
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(HUMAN)
BDBM86708
PNG
(CAS_146714-97-8 | CHEMBL31354 | CHEMBL514874 | CHE...)
Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1
Show InChI InChI=1S/C25H34N4O2/c1-31-23-12-6-5-11-22(23)28-18-15-27(16-19-28)17-20-29(24-13-7-8-14-26-24)25(30)21-9-3-2-4-10-21/h5-8,11-14,21H,2-4,9-10,15-20H2,1H3
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4.57n/an/an/an/an/an/an/an/a



Universit&aagrove; di Firenze

Curated by PDSP Ki Database




J Pharmacol Exp Ther 315: 109-17 (2005)


Article DOI: 10.1124/jpet.105.087809
BindingDB Entry DOI: 10.7270/Q2VD6X2V
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(HUMAN)
BDBM86845
PNG
(1-(2,6-difluorophenyl)-3-(4-(4-(2-isopropoxyphenyl...)
Show SMILES CC(C)Oc1ccccc1N1CCN(CC1)C1CCC(CC1)NC(=O)Nc1c(F)cccc1F
Show InChI InChI=1S/C26H34F2N4O2/c1-18(2)34-24-9-4-3-8-23(24)32-16-14-31(15-17-32)20-12-10-19(11-13-20)29-26(33)30-25-21(27)6-5-7-22(25)28/h3-9,18-20H,10-17H2,1-2H3,(H2,29,30,33)
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4.80n/an/an/an/an/an/an/an/a



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

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 640-4 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.068
BindingDB Entry DOI: 10.7270/Q27H1H5S
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(HUMAN)
BDBM85833
PNG
(N-[2-[4-(2-methoxyphenyl)-1-piperazinyl]- ethyl]-N...)
Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccc2[N+]([O-])=O)CC1
Show InChI InChI=1S/C26H34N4O4/c1-34-25-14-8-7-13-24(25)28-18-15-27(16-19-28)17-20-29(26(31)21-9-3-2-4-10-21)22-11-5-6-12-23(22)30(32)33/h5-8,11-14,21H,2-4,9-10,15-20H2,1H3
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5.70n/an/an/an/an/an/an/an/a



Recordati S.p.A.

Curated by PDSP Ki Database




J Pharmacol Exp Ther 299: 1027-37 (2001)


BindingDB Entry DOI: 10.7270/Q2F47MP3
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(HUMAN)
BDBM85833
PNG
(N-[2-[4-(2-methoxyphenyl)-1-piperazinyl]- ethyl]-N...)
Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccc2[N+]([O-])=O)CC1
Show InChI InChI=1S/C26H34N4O4/c1-34-25-14-8-7-13-24(25)28-18-15-27(16-19-28)17-20-29(26(31)21-9-3-2-4-10-21)22-11-5-6-12-23(22)30(32)33/h5-8,11-14,21H,2-4,9-10,15-20H2,1H3
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5.75n/an/an/an/an/an/an/an/a



Universit&aagrove; di Firenze

Curated by PDSP Ki Database




J Pharmacol Exp Ther 315: 109-17 (2005)


Article DOI: 10.1124/jpet.105.087809
BindingDB Entry DOI: 10.7270/Q2VD6X2V
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(HUMAN)
BDBM21397
PNG
(8-[4-(4-fluorophenyl)-4-keto-butyl]-1-phenyl-1,3,8...)
Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1
Show InChI InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29)
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8.32n/an/an/an/an/an/an/an/a



Universit&aagrove; di Firenze

Curated by PDSP Ki Database




J Pharmacol Exp Ther 315: 109-17 (2005)


Article DOI: 10.1124/jpet.105.087809
BindingDB Entry DOI: 10.7270/Q2VD6X2V
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(HUMAN)
BDBM86855
PNG
(1-(4-(4-(2-isopropoxyphenyl)piperazin-1-yl)cyclohe...)
Show SMILES COc1ccccc1NC(=O)NC1CCC(CC1)N1CCN(CC1)c1ccccc1OC(C)C
Show InChI InChI=1S/C27H38N4O3/c1-20(2)34-26-11-7-5-9-24(26)31-18-16-30(17-19-31)22-14-12-21(13-15-22)28-27(32)29-23-8-4-6-10-25(23)33-3/h4-11,20-22H,12-19H2,1-3H3,(H2,28,29,32)
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8.70n/an/an/an/an/an/an/an/a



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

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 640-4 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.068
BindingDB Entry DOI: 10.7270/Q27H1H5S
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Mus musculus (Mouse))
BDBM50019848
PNG
(2-(2,3-dihydro-1,4-benzodioxin-2-yl)-4,5-dihydro-1...)
Show SMILES C1CN=C(N1)C1COc2ccccc2O1
Show InChI InChI=1S/C11H12N2O2/c1-2-4-9-8(3-1)14-7-10(15-9)11-12-5-6-13-11/h1-4,10H,5-7H2,(H,12,13)
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12n/an/an/an/an/an/an/an/a



Smith Kline & French Laboratories

Curated by PDSP Ki Database




J Pharmacol Exp Ther 236: 90-6 (1986)


BindingDB Entry DOI: 10.7270/Q2T72FXQ
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(HUMAN)
BDBM86849
PNG
(1-(3-fluorobenzyl)-3-(4-(4-(2-isopropoxyphenyl)pip...)
Show SMILES CC(C)Oc1ccccc1N1CCN(CC1)C1CCC(CC1)NC(=O)NCc1cccc(F)c1
Show InChI InChI=1S/C27H37FN4O2/c1-20(2)34-26-9-4-3-8-25(26)32-16-14-31(15-17-32)24-12-10-23(11-13-24)30-27(33)29-19-21-6-5-7-22(28)18-21/h3-9,18,20,23-24H,10-17,19H2,1-2H3,(H2,29,30,33)
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15n/an/an/an/an/an/an/an/a



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

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 640-4 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.068
BindingDB Entry DOI: 10.7270/Q27H1H5S
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(HUMAN)
BDBM86852
PNG
(1-(2,6-dichlorophenyl)-3-(4-(4-(2-isopropoxyphenyl...)
Show SMILES CC(C)Oc1ccccc1N1CCN(CC1)C1CCC(CC1)NC(=O)Nc1c(Cl)cccc1Cl
Show InChI InChI=1S/C26H34Cl2N4O2/c1-18(2)34-24-9-4-3-8-23(24)32-16-14-31(15-17-32)20-12-10-19(11-13-20)29-26(33)30-25-21(27)6-5-7-22(25)28/h3-9,18-20H,10-17H2,1-2H3,(H2,29,30,33)
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16n/an/an/an/an/an/an/an/a



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

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 640-4 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.068
BindingDB Entry DOI: 10.7270/Q27H1H5S
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(HUMAN)
BDBM86854
PNG
(1-(2,4-dimethoxyphenyl)-3-(4-(4-(2-isopropoxypheny...)
Show SMILES COc1ccc(NC(=O)NC2CCC(CC2)N2CCN(CC2)c2ccccc2OC(C)C)c(OC)c1
Show InChI InChI=1S/C28H40N4O4/c1-20(2)36-26-8-6-5-7-25(26)32-17-15-31(16-18-32)22-11-9-21(10-12-22)29-28(33)30-24-14-13-23(34-3)19-27(24)35-4/h5-8,13-14,19-22H,9-12,15-18H2,1-4H3,(H2,29,30,33)
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20n/an/an/an/an/an/an/an/a



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

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 640-4 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.068
BindingDB Entry DOI: 10.7270/Q27H1H5S
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(HUMAN)
BDBM86847
PNG
(1-(4-(4-(2-isopropoxyphenyl)piperazin-1-yl)cyclohe...)
Show SMILES CC(C)Oc1ccccc1N1CCN(CC1)C1CCC(CC1)NC(=O)Nc1c(Cl)cc(Cl)cc1Cl
Show InChI InChI=1S/C26H33Cl3N4O2/c1-17(2)35-24-6-4-3-5-23(24)33-13-11-32(12-14-33)20-9-7-19(8-10-20)30-26(34)31-25-21(28)15-18(27)16-22(25)29/h3-6,15-17,19-20H,7-14H2,1-2H3,(H2,30,31,34)
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25n/an/an/an/an/an/an/an/a



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

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 640-4 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.068
BindingDB Entry DOI: 10.7270/Q27H1H5S
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(HUMAN)
BDBM85709
PNG
(S18616)
Show SMILES NC1=NC2(CO1)CCc1ccccc1C2
Show InChI InChI=1S/C12H14N2O/c13-11-14-12(8-15-11)6-5-9-3-1-2-4-10(9)7-12/h1-4H,5-8H2,(H2,13,14)
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25.1n/an/an/an/an/an/an/an/a



Centre de Recherches de Croissy

Curated by PDSP Ki Database




J Pharmacol Exp Ther 295: 1192-205 (2000)


BindingDB Entry DOI: 10.7270/Q28P5Z2C
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(HUMAN)
BDBM86850
PNG
(1-(2,4-difluorophenyl)-3-(4-(4-(2-isopropoxyphenyl...)
Show SMILES CC(C)Oc1ccccc1N1CCN(CC1)C1CCC(CC1)NC(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C26H34F2N4O2/c1-18(2)34-25-6-4-3-5-24(25)32-15-13-31(14-16-32)21-10-8-20(9-11-21)29-26(33)30-23-12-7-19(27)17-22(23)28/h3-7,12,17-18,20-21H,8-11,13-16H2,1-2H3,(H2,29,30,33)
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26.5n/an/an/an/an/an/an/an/a



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

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 640-4 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.068
BindingDB Entry DOI: 10.7270/Q27H1H5S
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(HUMAN)
BDBM86853
PNG
(1-(3-chlorophenyl)-3-(4-(4-(2-isopropoxyphenyl)pip...)
Show SMILES CC(C)Oc1ccccc1N1CCN(CC1)C1CCC(CC1)NC(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C26H35ClN4O2/c1-19(2)33-25-9-4-3-8-24(25)31-16-14-30(15-17-31)23-12-10-21(11-13-23)28-26(32)29-22-7-5-6-20(27)18-22/h3-9,18-19,21,23H,10-17H2,1-2H3,(H2,28,29,32)
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29n/an/an/an/an/an/an/an/a



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

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 640-4 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.068
BindingDB Entry DOI: 10.7270/Q27H1H5S
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(HUMAN)
BDBM86851
PNG
(1-(2-chlorophenyl)-3-(4-(4-(2-isopropoxyphenyl)pip...)
Show SMILES CC(C)Oc1ccccc1N1CCN(CC1)C1CCC(CC1)NC(=O)Nc1ccccc1Cl
Show InChI InChI=1S/C26H35ClN4O2/c1-19(2)33-25-10-6-5-9-24(25)31-17-15-30(16-18-31)21-13-11-20(12-14-21)28-26(32)29-23-8-4-3-7-22(23)27/h3-10,19-21H,11-18H2,1-2H3,(H2,28,29,32)
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46n/an/an/an/an/an/an/an/a



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

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 640-4 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.068
BindingDB Entry DOI: 10.7270/Q27H1H5S
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(HUMAN)
BDBM86848
PNG
(1-(2,5-difluorophenyl)-3-(4-(4-(2-isopropoxyphenyl...)
Show SMILES CC(C)Oc1ccccc1N1CCN(CC1)C1CCC(CC1)NC(=O)Nc1cc(F)ccc1F
Show InChI InChI=1S/C26H34F2N4O2/c1-18(2)34-25-6-4-3-5-24(25)32-15-13-31(14-16-32)21-10-8-20(9-11-21)29-26(33)30-23-17-19(27)7-12-22(23)28/h3-7,12,17-18,20-21H,8-11,13-16H2,1-2H3,(H2,29,30,33)
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52n/an/an/an/an/an/an/an/a



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

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 640-4 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.068
BindingDB Entry DOI: 10.7270/Q27H1H5S
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(HUMAN)
BDBM86849
PNG
(1-(3-fluorobenzyl)-3-(4-(4-(2-isopropoxyphenyl)pip...)
Show SMILES CC(C)Oc1ccccc1N1CCN(CC1)C1CCC(CC1)NC(=O)NCc1cccc(F)c1
Show InChI InChI=1S/C27H37FN4O2/c1-20(2)34-26-9-4-3-8-25(26)32-16-14-31(15-17-32)24-12-10-23(11-13-24)30-27(33)29-19-21-6-5-7-22(28)18-21/h3-9,18,20,23-24H,10-17,19H2,1-2H3,(H2,29,30,33)
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62n/an/an/an/an/an/an/an/a



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

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 640-4 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.068
BindingDB Entry DOI: 10.7270/Q27H1H5S
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(HUMAN)
BDBM86844
PNG
(1-(5-chloro-2-methoxyphenyl)-3-(4-(4-(2-isopropoxy...)
Show SMILES COc1ccc(Cl)cc1NC(=O)NC1CCC(CC1)N1CCN(CC1)c1ccccc1OC(C)C
Show InChI InChI=1S/C27H37ClN4O3/c1-19(2)35-26-7-5-4-6-24(26)32-16-14-31(15-17-32)22-11-9-21(10-12-22)29-27(33)30-23-18-20(28)8-13-25(23)34-3/h4-8,13,18-19,21-22H,9-12,14-17H2,1-3H3,(H2,29,30,33)
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64n/an/an/an/an/an/an/an/a



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

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 640-4 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.068
BindingDB Entry DOI: 10.7270/Q27H1H5S
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(HUMAN)
BDBM50001955
PNG
((-)6-Methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]qu...)
Show SMILES CN1CCc2cccc-3c2[C@H]1Cc1ccc(O)c(O)c-31
Show InChI InChI=1S/C17H17NO2/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12/h2-6,13,19-20H,7-9H2,1H3/t13-/m1/s1
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64.6n/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-1D adrenergic receptor


(HUMAN)
BDBM86843
PNG
(1-(3,4-difluorophenyl)-3-(4-(4-(2-isopropoxyphenyl...)
Show SMILES CC(C)Oc1ccccc1N1CCN(CC1)C1CCC(CC1)NC(=O)Nc1ccc(F)c(F)c1
Show InChI InChI=1S/C26H34F2N4O2/c1-18(2)34-25-6-4-3-5-24(25)32-15-13-31(14-16-32)21-10-7-19(8-11-21)29-26(33)30-20-9-12-22(27)23(28)17-20/h3-6,9,12,17-19,21H,7-8,10-11,13-16H2,1-2H3,(H2,29,30,33)
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72n/an/an/an/an/an/an/an/a



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

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 640-4 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.068
BindingDB Entry DOI: 10.7270/Q27H1H5S
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(HUMAN)
BDBM86855
PNG
(1-(4-(4-(2-isopropoxyphenyl)piperazin-1-yl)cyclohe...)
Show SMILES COc1ccccc1NC(=O)NC1CCC(CC1)N1CCN(CC1)c1ccccc1OC(C)C
Show InChI InChI=1S/C27H38N4O3/c1-20(2)34-26-11-7-5-9-24(26)31-18-16-30(17-19-31)22-14-12-21(13-15-22)28-27(32)29-23-8-4-6-10-25(23)33-3/h4-11,20-22H,12-19H2,1-3H3,(H2,28,29,32)
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73n/an/an/an/an/an/an/an/a



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

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 640-4 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.068
BindingDB Entry DOI: 10.7270/Q27H1H5S
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(HUMAN)
BDBM50241196
PNG
((R)-5-(1-(2,3-dimethylphenyl)ethyl)-1H-imidazole |...)
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-/m1/s1
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79.4n/an/an/an/an/an/an/an/a



Centre de Recherches de Croissy

Curated by PDSP Ki Database




J Pharmacol Exp Ther 295: 1192-205 (2000)


BindingDB Entry DOI: 10.7270/Q28P5Z2C
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(HUMAN)
BDBM86845
PNG
(1-(2,6-difluorophenyl)-3-(4-(4-(2-isopropoxyphenyl...)
Show SMILES CC(C)Oc1ccccc1N1CCN(CC1)C1CCC(CC1)NC(=O)Nc1c(F)cccc1F
Show InChI InChI=1S/C26H34F2N4O2/c1-18(2)34-24-9-4-3-8-23(24)32-16-14-31(15-17-32)20-12-10-19(11-13-20)29-26(33)30-25-21(27)6-5-7-22(25)28/h3-9,18-20H,10-17H2,1-2H3,(H2,29,30,33)
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92n/an/an/an/an/an/an/an/a



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

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 640-4 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.068
BindingDB Entry DOI: 10.7270/Q27H1H5S
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(HUMAN)
BDBM86854
PNG
(1-(2,4-dimethoxyphenyl)-3-(4-(4-(2-isopropoxypheny...)
Show SMILES COc1ccc(NC(=O)NC2CCC(CC2)N2CCN(CC2)c2ccccc2OC(C)C)c(OC)c1
Show InChI InChI=1S/C28H40N4O4/c1-20(2)36-26-8-6-5-7-25(26)32-17-15-31(16-18-32)22-11-9-21(10-12-22)29-28(33)30-24-14-13-23(34-3)19-27(24)35-4/h5-8,13-14,19-22H,9-12,15-18H2,1-4H3,(H2,29,30,33)
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92n/an/an/an/an/an/an/an/a



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

Curated by PDSP Ki Database




Bioorg Med Chem Lett 18: 640-4 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.068
BindingDB Entry DOI: 10.7270/Q27H1H5S
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(HUMAN)
BDBM85595
PNG
(CAS_105182-45-4 | Fluparoxan | NSC_72036)
Show SMILES Fc1cccc2OC3CNCC3Oc12
Show InChI InChI=1S/C10H10FNO2/c11-6-2-1-3-7-10(6)14-9-5-12-4-8(9)13-7/h1-3,8-9,12H,4-5H2
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126n/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
BindingDB Entry DOI: 10.7270/Q2XK8D4N
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(HUMAN)
BDBM50016897
PNG
(2-(2,6-dichloroanilino)-1,3-diazacyclopentene-(2) ...)
Show SMILES Clc1cccc(Cl)c1N=C1NCCN1
Show InChI InChI=1S/C9H9Cl2N3/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9/h1-3H,4-5H2,(H2,12,13,14)
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126n/an/an/an/an/an/an/an/a



Centre de Recherches de Croissy

Curated by PDSP Ki Database




J Pharmacol Exp Ther 295: 1192-205 (2000)


BindingDB Entry DOI: 10.7270/Q28P5Z2C
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(HUMAN)
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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158n/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
BindingDB Entry DOI: 10.7270/Q2XK8D4N
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(HUMAN)
BDBM86052
PNG
(CAS_54746 | Cabergoline | NSC_54746)
Show SMILES CCNC(=O)N(CCCN(C)C)C(=O)C1CC2C(Cc3c[nH]c4cccc2c34)N(CC=C)C1
Show InChI InChI=1S/C26H37N5O2/c1-5-11-30-17-19(25(32)31(26(33)27-6-2)13-8-12-29(3)4)14-21-20-9-7-10-22-24(20)18(16-28-22)15-23(21)30/h5,7,9-10,16,19,21,23,28H,1,6,8,11-15,17H2,2-4H3,(H,27,33)
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166n/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-1D adrenergic receptor


(HUMAN)
BDBM85092
PNG
(CAS_3605-01-4 | NSC_4850 | Piribedil)
Show SMILES C(N1CCN(CC1)c1ncccn1)c1ccc2OCOc2c1
Show InChI InChI=1S/C16H18N4O2/c1-4-17-16(18-5-1)20-8-6-19(7-9-20)11-13-2-3-14-15(10-13)22-12-21-14/h1-5,10H,6-9,11-12H2
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219n/an/an/an/an/an/an/an/a



Institut de Recherches Servier

Curated by PDSP Ki Database




J Pharmacol Exp Ther 297: 876-87 (2001)


BindingDB Entry DOI: 10.7270/Q2W957RF
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(HUMAN)
BDBM85092
PNG
(CAS_3605-01-4 | NSC_4850 | Piribedil)
Show SMILES C(N1CCN(CC1)c1ncccn1)c1ccc2OCOc2c1
Show InChI InChI=1S/C16H18N4O2/c1-4-17-16(18-5-1)20-8-6-19(7-9-20)11-13-2-3-14-15(10-13)22-12-21-14/h1-5,10H,6-9,11-12H2
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219n/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
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