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Compile Data Set for Download or QSAR

Found 1076 hits with Last Name = 'di salvo' and Initial = 'j'   
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-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50102245
PNG
(4-(2-Chloro-phenyl)-1-[3-(2,5-dioxo-3,3-di-p-tolyl...)
Show SMILES Cc1ccc(cc1)C1(CC(=O)N(CCCN2CCC(CC2)(C#N)c2ccccc2Cl)C1=O)c1ccc(C)cc1
Show InChI InChI=1S/C33H34ClN3O2/c1-24-8-12-26(13-9-24)33(27-14-10-25(2)11-15-27)22-30(38)37(31(33)39)19-5-18-36-20-16-32(23-35,17-21-36)28-6-3-4-7-29(28)34/h3-4,6-15H,5,16-22H2,1-2H3
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0.480n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards cloned human Alpha-1A adrenergic receptor


Bioorg Med Chem Lett 11: 1959-62 (2001)


BindingDB Entry DOI: 10.7270/Q2Q52NXK
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50071685
PNG
((1R,3S,4S)-1-[4-(5-Chloro-1,1,3-trioxo-1,3-dihydro...)
Show SMILES CCOC(=O)[C@@H]1CN(CCCCN2C(=O)c3cc(Cl)ccc3S2(=O)=O)CC[C@@H]1c1ccccc1
Show InChI InChI=1S/C25H29ClN2O5S/c1-2-33-25(30)22-17-27(15-12-20(22)18-8-4-3-5-9-18)13-6-7-14-28-24(29)21-16-19(26)10-11-23(21)34(28,31)32/h3-5,8-11,16,20,22H,2,6-7,12-15,17H2,1H3/t20-,22-/m1/s1
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0.510n/an/an/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Binding affinity against human Alpha-1a adrenergic receptor was evaluated by cloned receptor binding assay


Bioorg Med Chem Lett 8: 2495-500 (1999)


BindingDB Entry DOI: 10.7270/Q2J38T2G
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50090310
PNG
(CHEMBL44294 | N-{3-[4-(2-Chloro-phenyl)-4-cyano-pi...)
Show SMILES Cc1ccc(cc1)C(C(=O)NCCCN1CCC(CC1)(C#N)c1ccccc1Cl)c1ccc(C)cc1
Show InChI InChI=1S/C31H34ClN3O/c1-23-8-12-25(13-9-23)29(26-14-10-24(2)11-15-26)30(36)34-18-5-19-35-20-16-31(22-33,17-21-35)27-6-3-4-7-28(27)32/h3-4,6-15,29H,5,16-21H2,1-2H3,(H,34,36)
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0.990n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-HEAT to cloned human alpha-1A adrenergic receptor.


Bioorg Med Chem Lett 10: 1621-4 (2000)


BindingDB Entry DOI: 10.7270/Q27W6BDJ
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50090306
PNG
(2,2-Di-p-tolyl-N-[3-(4-o-tolyl-piperazin-1-yl)-pro...)
Show SMILES Cc1ccc(cc1)C(C(=O)NCCCN1CCN(CC1)c1ccccc1C)c1ccc(C)cc1
Show InChI InChI=1S/C30H37N3O/c1-23-9-13-26(14-10-23)29(27-15-11-24(2)12-16-27)30(34)31-17-6-18-32-19-21-33(22-20-32)28-8-5-4-7-25(28)3/h4-5,7-16,29H,6,17-22H2,1-3H3,(H,31,34)
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1.10n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-HEAT to cloned human alpha-1A adrenergic receptor.


Bioorg Med Chem Lett 10: 1621-4 (2000)


BindingDB Entry DOI: 10.7270/Q27W6BDJ
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50090307
PNG
(CHEMBL298058 | N-[3-(4-Cyano-4-o-tolyl-piperidin-1...)
Show SMILES Cc1ccc(cc1)C(C(=O)NCCCN1CCC(CC1)(C#N)c1ccccc1C)c1ccc(C)cc1
Show InChI InChI=1S/C32H37N3O/c1-24-9-13-27(14-10-24)30(28-15-11-25(2)12-16-28)31(36)34-19-6-20-35-21-17-32(23-33,18-22-35)29-8-5-4-7-26(29)3/h4-5,7-16,30H,6,17-22H2,1-3H3,(H,34,36)
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1.30n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-HEAT to cloned human alpha-1A adrenergic receptor.


Bioorg Med Chem Lett 10: 1621-4 (2000)


BindingDB Entry DOI: 10.7270/Q27W6BDJ
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50102243
PNG
(1-[3-(2,5-Dioxo-3,3-di-p-tolyl-pyrrolidin-1-yl)-pr...)
Show SMILES Cc1ccc(cc1)C1(CC(=O)N(CCCN2CCC(CC2)(C#N)c2ccccc2C)C1=O)c1ccc(C)cc1
Show InChI InChI=1S/C34H37N3O2/c1-25-9-13-28(14-10-25)34(29-15-11-26(2)12-16-29)23-31(38)37(32(34)39)20-6-19-36-21-17-33(24-35,18-22-36)30-8-5-4-7-27(30)3/h4-5,7-16H,6,17-23H2,1-3H3
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1.70n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards cloned human Alpha-1A adrenergic receptor


Bioorg Med Chem Lett 11: 1959-62 (2001)


BindingDB Entry DOI: 10.7270/Q2Q52NXK
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50102246
PNG
(CHEMBL59590 | N-[3-(4-Cyano-4-o-tolyl-piperidin-1-...)
Show SMILES Cc1ccc(cc1)C(O)(C(=O)NCCCN1CCC(CC1)(C#N)c1ccccc1C)c1ccc(C)cc1
Show InChI InChI=1S/C32H37N3O2/c1-24-9-13-27(14-10-24)32(37,28-15-11-25(2)12-16-28)30(36)34-19-6-20-35-21-17-31(23-33,18-22-35)29-8-5-4-7-26(29)3/h4-5,7-16,37H,6,17-22H2,1-3H3,(H,34,36)
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2n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards cloned human Alpha-1A adrenergic receptor


Bioorg Med Chem Lett 11: 1959-62 (2001)


BindingDB Entry DOI: 10.7270/Q2Q52NXK
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50090305
PNG
(CHEMBL41994 | N-[3-(4-Cyano-4-o-tolyl-piperidin-1-...)
Show SMILES CC(C)C(C(=O)NCCCN1CCC(CC1)(C#N)c1ccccc1C)c1ccc(F)c(F)c1
Show InChI InChI=1S/C27H33F2N3O/c1-19(2)25(21-9-10-23(28)24(29)17-21)26(33)31-13-6-14-32-15-11-27(18-30,12-16-32)22-8-5-4-7-20(22)3/h4-5,7-10,17,19,25H,6,11-16H2,1-3H3,(H,31,33)
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2n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-HEAT to cloned human alpha-1A adrenergic receptor.


Bioorg Med Chem Lett 10: 1621-4 (2000)


BindingDB Entry DOI: 10.7270/Q27W6BDJ
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50090305
PNG
(CHEMBL41994 | N-[3-(4-Cyano-4-o-tolyl-piperidin-1-...)
Show SMILES CC(C)C(C(=O)NCCCN1CCC(CC1)(C#N)c1ccccc1C)c1ccc(F)c(F)c1
Show InChI InChI=1S/C27H33F2N3O/c1-19(2)25(21-9-10-23(28)24(29)17-21)26(33)31-13-6-14-32-15-11-27(18-30,12-16-32)22-8-5-4-7-20(22)3/h4-5,7-10,17,19,25H,6,11-16H2,1-3H3,(H,31,33)
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2n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-HEAT to cloned human alpha-1A adrenergic receptor.


Bioorg Med Chem Lett 10: 1621-4 (2000)


BindingDB Entry DOI: 10.7270/Q27W6BDJ
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50071684
PNG
((R)-1-[4-(5-Chloro-1,1,3-trioxo-1,3-dihydro-1lambd...)
Show SMILES CCOC(=O)[C@H]1CN(CCCCN2C(=O)c3cc(Cl)ccc3S2(=O)=O)CC[C@H]1c1ccccc1
Show InChI InChI=1S/C25H29ClN2O5S/c1-2-33-25(30)22-17-27(15-12-20(22)18-8-4-3-5-9-18)13-6-7-14-28-24(29)21-16-19(26)10-11-23(21)34(28,31)32/h3-5,8-11,16,20,22H,2,6-7,12-15,17H2,1H3/t20-,22?/m0/s1
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3n/an/an/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Binding affinity against human Alpha-1a adrenergic receptor was evaluated by cloned receptor binding assay


Bioorg Med Chem Lett 8: 2495-500 (1999)


BindingDB Entry DOI: 10.7270/Q2J38T2G
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50090309
PNG
(CHEMBL42514 | N-[3-(4-Cyano-4-o-tolyl-piperidin-1-...)
Show SMILES CC(C)C(C(=O)NCCCN1CCC(CC1)(C#N)c1ccccc1C)c1cccc(F)c1
Show InChI InChI=1S/C27H34FN3O/c1-20(2)25(22-9-6-10-23(28)18-22)26(32)30-14-7-15-31-16-12-27(19-29,13-17-31)24-11-5-4-8-21(24)3/h4-6,8-11,18,20,25H,7,12-17H2,1-3H3,(H,30,32)
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3.40n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-HEAT to cloned human alpha-1A adrenergic receptor.


Bioorg Med Chem Lett 10: 1621-4 (2000)


BindingDB Entry DOI: 10.7270/Q27W6BDJ
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50068819
PNG
(5-[3-(4-Methoxycarbonyl-4-phenyl-piperidin-1-yl)-p...)
Show SMILES COC(=O)C1C(C(C(=O)NCCCN2CCC(CC2)(C(=O)OC)c2ccccc2)=C(C)N=C1C)c1ccc(cc1)[N+]([O-])=O |c:33,t:30|
Show InChI InChI=1S/C32H38N4O7/c1-21-26(28(27(22(2)34-21)30(38)42-3)23-11-13-25(14-12-23)36(40)41)29(37)33-17-8-18-35-19-15-32(16-20-35,31(39)43-4)24-9-6-5-7-10-24/h5-7,9-14,27-28H,8,15-20H2,1-4H3,(H,33,37)
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3.60n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-HEAT to cloned human alpha-1A adrenergic receptor.


Bioorg Med Chem Lett 10: 1621-4 (2000)


BindingDB Entry DOI: 10.7270/Q27W6BDJ
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50090304
PNG
(1-[3-(2,2-Di-p-tolyl-acetylamino)-propyl]-4-phenyl...)
Show SMILES COC(=O)C1(CCN(CCCNC(=O)C(c2ccc(C)cc2)c2ccc(C)cc2)CC1)c1ccccc1
Show InChI InChI=1S/C32H38N2O3/c1-24-10-14-26(15-11-24)29(27-16-12-25(2)13-17-27)30(35)33-20-7-21-34-22-18-32(19-23-34,31(36)37-3)28-8-5-4-6-9-28/h4-6,8-17,29H,7,18-23H2,1-3H3,(H,33,35)
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5.10n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-HEAT to cloned human alpha-1A adrenergic receptor.


Bioorg Med Chem Lett 10: 1621-4 (2000)


BindingDB Entry DOI: 10.7270/Q27W6BDJ
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50102240
PNG
(CHEMBL61643 | N-[3-(4-Cyano-4-phenyl-piperidin-1-y...)
Show SMILES Cc1ccc(cc1)C(O)(C(=O)NCCCN1CCC(CC1)(C#N)c1ccccc1)c1ccc(C)cc1
Show InChI InChI=1S/C31H35N3O2/c1-24-9-13-27(14-10-24)31(36,28-15-11-25(2)12-16-28)29(35)33-19-6-20-34-21-17-30(23-32,18-22-34)26-7-4-3-5-8-26/h3-5,7-16,36H,6,17-22H2,1-2H3,(H,33,35)
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5.70n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards cloned human Alpha-1A adrenergic receptor


Bioorg Med Chem Lett 11: 1959-62 (2001)


BindingDB Entry DOI: 10.7270/Q2Q52NXK
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50090316
PNG
(2-(4-Chloro-phenyl)-N-[3-(4-cyano-4-o-tolyl-piperi...)
Show SMILES CC(C)C(C(=O)NCCCN1CCC(CC1)(C#N)c1ccccc1C)c1ccc(Cl)cc1
Show InChI InChI=1S/C27H34ClN3O/c1-20(2)25(22-9-11-23(28)12-10-22)26(32)30-15-6-16-31-17-13-27(19-29,14-18-31)24-8-5-4-7-21(24)3/h4-5,7-12,20,25H,6,13-18H2,1-3H3,(H,30,32)
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6.40n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-HEAT to cloned human alpha-1A adrenergic receptor.


Bioorg Med Chem Lett 10: 1621-4 (2000)


BindingDB Entry DOI: 10.7270/Q27W6BDJ
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50090306
PNG
(2,2-Di-p-tolyl-N-[3-(4-o-tolyl-piperazin-1-yl)-pro...)
Show SMILES Cc1ccc(cc1)C(C(=O)NCCCN1CCN(CC1)c1ccccc1C)c1ccc(C)cc1
Show InChI InChI=1S/C30H37N3O/c1-23-9-13-26(14-10-23)29(27-15-11-24(2)12-16-27)30(34)31-17-6-18-32-19-21-33(22-20-32)28-8-5-4-7-25(28)3/h4-5,7-16,29H,6,17-22H2,1-3H3,(H,31,34)
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6.60n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-HEAT to cloned human alpha-1B adrenergic receptor.


Bioorg Med Chem Lett 10: 1621-4 (2000)


BindingDB Entry DOI: 10.7270/Q27W6BDJ
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50090322
PNG
(CHEMBL44124 | N-[3-(4-Cyano-4-phenyl-piperidin-1-y...)
Show SMILES Cc1ccc(cc1)C(C(=O)NCCCN1CCC(CC1)(C#N)c1ccccc1)c1ccc(C)cc1
Show InChI InChI=1S/C31H35N3O/c1-24-9-13-26(14-10-24)29(27-15-11-25(2)12-16-27)30(35)33-19-6-20-34-21-17-31(23-32,18-22-34)28-7-4-3-5-8-28/h3-5,7-16,29H,6,17-22H2,1-2H3,(H,33,35)
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7.30n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-HEAT to cloned human alpha-1A adrenergic receptor.


Bioorg Med Chem Lett 10: 1621-4 (2000)


BindingDB Entry DOI: 10.7270/Q27W6BDJ
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50090322
PNG
(CHEMBL44124 | N-[3-(4-Cyano-4-phenyl-piperidin-1-y...)
Show SMILES Cc1ccc(cc1)C(C(=O)NCCCN1CCC(CC1)(C#N)c1ccccc1)c1ccc(C)cc1
Show InChI InChI=1S/C31H35N3O/c1-24-9-13-26(14-10-24)29(27-15-11-25(2)12-16-27)30(35)33-19-6-20-34-21-17-31(23-32,18-22-34)28-7-4-3-5-8-28/h3-5,7-16,29H,6,17-22H2,1-2H3,(H,33,35)
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7.30n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards cloned human Alpha-1A adrenergic receptor


Bioorg Med Chem Lett 11: 1959-62 (2001)


BindingDB Entry DOI: 10.7270/Q2Q52NXK
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50090318
PNG
(CHEMBL297667 | N-[3-(4-Cyano-4-o-tolyl-piperidin-1...)
Show SMILES CC(C)C(C(=O)NCCCN1CCC(CC1)(C#N)c1ccccc1C)c1ccc(C)cc1
Show InChI InChI=1S/C28H37N3O/c1-21(2)26(24-12-10-22(3)11-13-24)27(32)30-16-7-17-31-18-14-28(20-29,15-19-31)25-9-6-5-8-23(25)4/h5-6,8-13,21,26H,7,14-19H2,1-4H3,(H,30,32)
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7.40n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-HEAT to cloned human alpha-1A adrenergic receptor.


Bioorg Med Chem Lett 10: 1621-4 (2000)


BindingDB Entry DOI: 10.7270/Q27W6BDJ
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50090303
PNG
(CHEMBL42220 | N-{3-[4-Cyano-4-(2-methoxy-phenyl)-p...)
Show SMILES COc1ccccc1C1(CCN(CCCNC(=O)C(c2ccc(C)cc2)c2ccc(C)cc2)CC1)C#N
Show InChI InChI=1S/C32H37N3O2/c1-24-9-13-26(14-10-24)30(27-15-11-25(2)12-16-27)31(36)34-19-6-20-35-21-17-32(23-33,18-22-35)28-7-4-5-8-29(28)37-3/h4-5,7-16,30H,6,17-22H2,1-3H3,(H,34,36)
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7.5n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-HEAT to cloned human alpha-1A adrenergic receptor.


Bioorg Med Chem Lett 10: 1621-4 (2000)


BindingDB Entry DOI: 10.7270/Q27W6BDJ
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50090325
PNG
(CHEMBL295304 | N-[3-(4-Phenyl-piperidin-1-yl)-prop...)
Show SMILES Cc1ccc(cc1)C(C(=O)NCCCN1CCC(CC1)c1ccccc1)c1ccc(C)cc1
Show InChI InChI=1S/C30H36N2O/c1-23-9-13-27(14-10-23)29(28-15-11-24(2)12-16-28)30(33)31-19-6-20-32-21-17-26(18-22-32)25-7-4-3-5-8-25/h3-5,7-16,26,29H,6,17-22H2,1-2H3,(H,31,33)
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8.80n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-HEAT to cloned human alpha-1A adrenergic receptor.


Bioorg Med Chem Lett 10: 1621-4 (2000)


BindingDB Entry DOI: 10.7270/Q27W6BDJ
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50102241
PNG
(1-[3-(2,5-Dioxo-3,3-di-p-tolyl-pyrrolidin-1-yl)-2-...)
Show SMILES Cc1ccc(cc1)C1(CC(=O)N(CC(O)CN2CCC(CC2)(C#N)c2ccccc2C)C1=O)c1ccc(C)cc1
Show InChI InChI=1S/C34H37N3O3/c1-24-8-12-27(13-9-24)34(28-14-10-25(2)11-15-28)20-31(39)37(32(34)40)22-29(38)21-36-18-16-33(23-35,17-19-36)30-7-5-4-6-26(30)3/h4-15,29,38H,16-22H2,1-3H3
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9.70n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards cloned human Alpha-1A adrenergic receptor


Bioorg Med Chem Lett 11: 1959-62 (2001)


BindingDB Entry DOI: 10.7270/Q2Q52NXK
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50090311
PNG
(CHEMBL435576 | N-[3-(4-Phenyl-piperazin-1-yl)-prop...)
Show SMILES Cc1ccc(cc1)C(C(=O)NCCCN1CCN(CC1)c1ccccc1)c1ccc(C)cc1
Show InChI InChI=1S/C29H35N3O/c1-23-9-13-25(14-10-23)28(26-15-11-24(2)12-16-26)29(33)30-17-6-18-31-19-21-32(22-20-31)27-7-4-3-5-8-27/h3-5,7-16,28H,6,17-22H2,1-2H3,(H,30,33)
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12n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-HEAT to cloned human alpha-1A adrenergic receptor.


Bioorg Med Chem Lett 10: 1621-4 (2000)


BindingDB Entry DOI: 10.7270/Q27W6BDJ
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50090304
PNG
(1-[3-(2,2-Di-p-tolyl-acetylamino)-propyl]-4-phenyl...)
Show SMILES COC(=O)C1(CCN(CCCNC(=O)C(c2ccc(C)cc2)c2ccc(C)cc2)CC1)c1ccccc1
Show InChI InChI=1S/C32H38N2O3/c1-24-10-14-26(15-11-24)29(27-16-12-25(2)13-17-27)30(35)33-20-7-21-34-22-18-32(19-23-34,31(36)37-3)28-8-5-4-6-9-28/h4-6,8-17,29H,7,18-23H2,1-3H3,(H,33,35)
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17n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards cloned human Alpha-1A adrenergic receptor


Bioorg Med Chem Lett 11: 1959-62 (2001)


BindingDB Entry DOI: 10.7270/Q2Q52NXK
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50090300
PNG
(CHEMBL42763 | N-{3-[4-Cyano-4-(2-trifluoromethyl-p...)
Show SMILES Cc1ccc(cc1)C(C(=O)NCCCN1CCC(CC1)(C#N)c1ccccc1C(F)(F)F)c1ccc(C)cc1
Show InChI InChI=1S/C32H34F3N3O/c1-23-8-12-25(13-9-23)29(26-14-10-24(2)11-15-26)30(39)37-18-5-19-38-20-16-31(22-36,17-21-38)27-6-3-4-7-28(27)32(33,34)35/h3-4,6-15,29H,5,16-21H2,1-2H3,(H,37,39)
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22n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-HEAT to cloned human alpha-1A adrenergic receptor.


Bioorg Med Chem Lett 10: 1621-4 (2000)


BindingDB Entry DOI: 10.7270/Q27W6BDJ
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50090311
PNG
(CHEMBL435576 | N-[3-(4-Phenyl-piperazin-1-yl)-prop...)
Show SMILES Cc1ccc(cc1)C(C(=O)NCCCN1CCN(CC1)c1ccccc1)c1ccc(C)cc1
Show InChI InChI=1S/C29H35N3O/c1-23-9-13-25(14-10-23)28(26-15-11-24(2)12-16-26)29(33)30-17-6-18-31-19-21-32(22-20-31)27-7-4-3-5-8-27/h3-5,7-16,28H,6,17-22H2,1-2H3,(H,30,33)
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23n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-HEAT to cloned human alpha-1B adrenergic receptor.


Bioorg Med Chem Lett 10: 1621-4 (2000)


BindingDB Entry DOI: 10.7270/Q27W6BDJ
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50090324
PNG
(CHEMBL417350 | N-[3-(4-Cyano-4-o-tolyl-piperidin-1...)
Show SMILES CC(C)C(C(=O)NCCCN1CCC(CC1)(C#N)c1ccccc1C)c1ccc(F)cc1
Show InChI InChI=1S/C27H34FN3O/c1-20(2)25(22-9-11-23(28)12-10-22)26(32)30-15-6-16-31-17-13-27(19-29,14-18-31)24-8-5-4-7-21(24)3/h4-5,7-12,20,25H,6,13-18H2,1-3H3,(H,30,32)
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24n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-HEAT to cloned human alpha-1A adrenergic receptor.


Bioorg Med Chem Lett 10: 1621-4 (2000)


BindingDB Entry DOI: 10.7270/Q27W6BDJ
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50090313
PNG
(CHEMBL432302 | N-[3-(4'-Cyano-3',4',5',6'-tetrahyd...)
Show SMILES Cc1ccc(cc1)C(C(=O)NCCCN1CCC(CC1)(C#N)c1ccccn1)c1ccc(C)cc1
Show InChI InChI=1S/C30H34N4O/c1-23-7-11-25(12-8-23)28(26-13-9-24(2)10-14-26)29(35)33-18-5-19-34-20-15-30(22-31,16-21-34)27-6-3-4-17-32-27/h3-4,6-14,17,28H,5,15-16,18-21H2,1-2H3,(H,33,35)
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25n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-HEAT to cloned human alpha-1A adrenergic receptor.


Bioorg Med Chem Lett 10: 1621-4 (2000)


BindingDB Entry DOI: 10.7270/Q27W6BDJ
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50090323
PNG
(CHEMBL289916 | N-[3-(3',4',5',6'-Tetrahydro-2'H-[2...)
Show SMILES Cc1ccc(cc1)C(C(=O)NCCCN1CCC(CC1)c1ccccn1)c1ccc(C)cc1
Show InChI InChI=1S/C29H35N3O/c1-22-7-11-25(12-8-22)28(26-13-9-23(2)10-14-26)29(33)31-18-5-19-32-20-15-24(16-21-32)27-6-3-4-17-30-27/h3-4,6-14,17,24,28H,5,15-16,18-21H2,1-2H3,(H,31,33)
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27n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-HEAT to cloned human alpha-1A adrenergic receptor.


Bioorg Med Chem Lett 10: 1621-4 (2000)


BindingDB Entry DOI: 10.7270/Q27W6BDJ
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50090312
PNG
(CHEMBL296965 | N-[3-(4-Cyano-4-phenyl-piperidin-1-...)
Show SMILES O=C(NCCCN1CCC(CC1)(C#N)c1ccccc1)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C29H31N3O/c30-23-29(26-15-8-3-9-16-26)17-21-32(22-18-29)20-10-19-31-28(33)27(24-11-4-1-5-12-24)25-13-6-2-7-14-25/h1-9,11-16,27H,10,17-22H2,(H,31,33)
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28n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-HEAT to cloned human alpha-1A adrenergic receptor.


Bioorg Med Chem Lett 10: 1621-4 (2000)


BindingDB Entry DOI: 10.7270/Q27W6BDJ
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50090325
PNG
(CHEMBL295304 | N-[3-(4-Phenyl-piperidin-1-yl)-prop...)
Show SMILES Cc1ccc(cc1)C(C(=O)NCCCN1CCC(CC1)c1ccccc1)c1ccc(C)cc1
Show InChI InChI=1S/C30H36N2O/c1-23-9-13-27(14-10-23)29(28-15-11-24(2)12-16-28)30(33)31-19-6-20-32-21-17-26(18-22-32)25-7-4-3-5-8-25/h3-5,7-16,26,29H,6,17-22H2,1-2H3,(H,31,33)
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34n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-HEAT to cloned human alpha-1B adrenergic receptor.


Bioorg Med Chem Lett 10: 1621-4 (2000)


BindingDB Entry DOI: 10.7270/Q27W6BDJ
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50090306
PNG
(2,2-Di-p-tolyl-N-[3-(4-o-tolyl-piperazin-1-yl)-pro...)
Show SMILES Cc1ccc(cc1)C(C(=O)NCCCN1CCN(CC1)c1ccccc1C)c1ccc(C)cc1
Show InChI InChI=1S/C30H37N3O/c1-23-9-13-26(14-10-23)29(27-15-11-24(2)12-16-27)30(34)31-17-6-18-32-19-21-33(22-20-32)28-8-5-4-7-25(28)3/h4-5,7-16,29H,6,17-22H2,1-3H3,(H,31,34)
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36n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-HEAT to cloned human alpha-1D adrenergic receptor.


Bioorg Med Chem Lett 10: 1621-4 (2000)


BindingDB Entry DOI: 10.7270/Q27W6BDJ
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50114942
PNG
(2-(3,5-Bis-trifluoromethyl-phenyl)-N-{4-[4-(4-fluo...)
Show SMILES CC(C(=O)N[C@]1(CC[C@@H](CC1)N1CCC(CC1)c1ccc(F)cc1)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |wU:5.4,wD:8.11,(9.45,2.17,;10.23,.83,;8.9,.06,;8.89,-1.48,;7.57,.83,;6.24,.05,;7.57,-.72,;7.57,-2.26,;6.21,-3.02,;4.88,-2.26,;4.9,-.7,;6.21,-4.56,;4.9,-5.34,;4.9,-6.88,;6.21,-7.64,;7.54,-6.88,;7.54,-5.34,;6.21,-9.18,;4.88,-9.94,;4.88,-11.48,;6.21,-12.25,;6.21,-13.79,;7.56,-11.48,;7.54,-9.94,;4.9,.82,;3.57,.05,;2.22,.82,;2.2,2.37,;3.55,3.15,;4.9,2.38,;11.56,.06,;12.89,.83,;14.22,.07,;14.22,-1.48,;12.89,-2.25,;11.56,-1.48,;12.88,-3.79,;11.55,-4.56,;14.22,-4.56,;11.39,-3.38,;15.55,.84,;15.94,-.65,;16.88,.07,;15.55,2.38,)|
Show InChI InChI=1S/C34H35F7N2O/c1-22(25-19-27(33(36,37)38)21-28(20-25)34(39,40)41)31(44)42-32(26-5-3-2-4-6-26)15-11-30(12-16-32)43-17-13-24(14-18-43)23-7-9-29(35)10-8-23/h2-10,19-22,24,30H,11-18H2,1H3,(H,42,44)/t22?,30-,32-
PDB
MMDB

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43n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for the displacement of labelled MK-499 from the cloned channel expressed in HEK cells (Ikrchannel)


Bioorg Med Chem Lett 12: 1759-62 (2002)


BindingDB Entry DOI: 10.7270/Q2P55MV3
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50071689
PNG
(1-[4-(5-Chloro-1,1,3-trioxo-1,3-dihydro-1lambda*6*...)
Show SMILES COC(=O)C1(CCN(CCCCN2C(=O)c3cc(Cl)ccc3S2(=O)=O)CC1)c1ccccc1
Show InChI InChI=1S/C24H27ClN2O5S/c1-32-23(29)24(18-7-3-2-4-8-18)11-15-26(16-12-24)13-5-6-14-27-22(28)20-17-19(25)9-10-21(20)33(27,30)31/h2-4,7-10,17H,5-6,11-16H2,1H3
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44n/an/an/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Binding affinity against human Alpha-1a adrenergic receptor was evaluated by cloned receptor binding assay


Bioorg Med Chem Lett 8: 2495-500 (1999)


BindingDB Entry DOI: 10.7270/Q2J38T2G
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50005127
PNG
(1,1-Dioxo-2-[4-(4-pyrimidin-2-yl-piperazin-1-yl)-b...)
Show SMILES O=C1N(CCCCN2CCN(CC2)c2ncccn2)S(=O)(=O)c2ccccc12
Show InChI InChI=1S/C19H23N5O3S/c25-18-16-6-1-2-7-17(16)28(26,27)24(18)11-4-3-10-22-12-14-23(15-13-22)19-20-8-5-9-21-19/h1-2,5-9H,3-4,10-15H2
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46n/an/an/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Binding affinity against human Alpha-1d adrenergic receptor was evaluated by cloned receptor binding assay


Bioorg Med Chem Lett 8: 2495-500 (1999)


BindingDB Entry DOI: 10.7270/Q2J38T2G
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50090301
PNG
(1-{3-[2-(4-Nitro-phenyl)-propionylamino]-propyl}-4...)
Show SMILES COC(=O)C1(CCN(CCCNC(=O)C(C)c2ccc(cc2)[N+]([O-])=O)CC1)c1ccccc1
Show InChI InChI=1S/C25H31N3O5/c1-19(20-9-11-22(12-10-20)28(31)32)23(29)26-15-6-16-27-17-13-25(14-18-27,24(30)33-2)21-7-4-3-5-8-21/h3-5,7-12,19H,6,13-18H2,1-2H3,(H,26,29)
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47n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-HEAT to cloned human alpha-1A adrenergic receptor.


Bioorg Med Chem Lett 10: 1621-4 (2000)


BindingDB Entry DOI: 10.7270/Q27W6BDJ
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50090320
PNG
(CHEMBL416073 | N-[3-(4-Cyano-4-phenyl-piperidin-1-...)
Show SMILES O=C(NCCCN1CCC(CC1)(C#N)c1ccccc1)C(C1CCCC1)c1ccccc1
Show InChI InChI=1S/C28H35N3O/c29-22-28(25-14-5-2-6-15-25)16-20-31(21-17-28)19-9-18-30-27(32)26(24-12-7-8-13-24)23-10-3-1-4-11-23/h1-6,10-11,14-15,24,26H,7-9,12-13,16-21H2,(H,30,32)
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50n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-HEAT to cloned human alpha-1A adrenergic receptor.


Bioorg Med Chem Lett 10: 1621-4 (2000)


BindingDB Entry DOI: 10.7270/Q27W6BDJ
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50090305
PNG
(CHEMBL41994 | N-[3-(4-Cyano-4-o-tolyl-piperidin-1-...)
Show SMILES CC(C)C(C(=O)NCCCN1CCC(CC1)(C#N)c1ccccc1C)c1ccc(F)c(F)c1
Show InChI InChI=1S/C27H33F2N3O/c1-19(2)25(21-9-10-23(28)24(29)17-21)26(33)31-13-6-14-32-15-11-27(18-30,12-16-32)22-8-5-4-7-20(22)3/h4-5,7-10,17,19,25H,6,11-16H2,1-3H3,(H,31,33)
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50n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-HEAT to cloned human alpha-1B adrenergic receptor.


Bioorg Med Chem Lett 10: 1621-4 (2000)


BindingDB Entry DOI: 10.7270/Q27W6BDJ
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50090302
PNG
(CHEMBL40303 | N-[3-(4-Cyano-4-phenyl-piperidin-1-y...)
Show SMILES O=C(NCCCN1CCC(CC1)(C#N)c1ccccc1)C(C1CCCCC1)c1ccccc1
Show InChI InChI=1S/C29H37N3O/c30-23-29(26-15-8-3-9-16-26)17-21-32(22-18-29)20-10-19-31-28(33)27(24-11-4-1-5-12-24)25-13-6-2-7-14-25/h1,3-5,8-9,11-12,15-16,25,27H,2,6-7,10,13-14,17-22H2,(H,31,33)
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61n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-HEAT to cloned human alpha-1A adrenergic receptor.


Bioorg Med Chem Lett 10: 1621-4 (2000)


BindingDB Entry DOI: 10.7270/Q27W6BDJ
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50090321
PNG
(CHEMBL42361 | N-[3-(4-Cyano-4-phenyl-piperidin-1-y...)
Show SMILES CC(C)C(C(=O)NCCCN1CCC(CC1)(C#N)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H33N3O/c1-21(2)24(22-10-5-3-6-11-22)25(30)28-16-9-17-29-18-14-26(20-27,15-19-29)23-12-7-4-8-13-23/h3-8,10-13,21,24H,9,14-19H2,1-2H3,(H,28,30)
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72n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-HEAT to cloned human alpha-1A adrenergic receptor.


Bioorg Med Chem Lett 10: 1621-4 (2000)


BindingDB Entry DOI: 10.7270/Q27W6BDJ
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50090315
PNG
(4-Phenyl-1-[3-(2-p-tolyl-acetylamino)-propyl]-pipe...)
Show SMILES COC(=O)C1(CCN(CCCNC(=O)Cc2ccc(C)cc2)CC1)c1ccccc1
Show InChI InChI=1S/C25H32N2O3/c1-20-9-11-21(12-10-20)19-23(28)26-15-6-16-27-17-13-25(14-18-27,24(29)30-2)22-7-4-3-5-8-22/h3-5,7-12H,6,13-19H2,1-2H3,(H,26,28)
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74n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards cloned human Alpha-1A adrenergic receptor


Bioorg Med Chem Lett 11: 1959-62 (2001)


BindingDB Entry DOI: 10.7270/Q2Q52NXK
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50090315
PNG
(4-Phenyl-1-[3-(2-p-tolyl-acetylamino)-propyl]-pipe...)
Show SMILES COC(=O)C1(CCN(CCCNC(=O)Cc2ccc(C)cc2)CC1)c1ccccc1
Show InChI InChI=1S/C25H32N2O3/c1-20-9-11-21(12-10-20)19-23(28)26-15-6-16-27-17-13-25(14-18-27,24(29)30-2)22-7-4-3-5-8-22/h3-5,7-12H,6,13-19H2,1-2H3,(H,26,28)
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74n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-HEAT to cloned human alpha-1A adrenergic receptor.


Bioorg Med Chem Lett 10: 1621-4 (2000)


BindingDB Entry DOI: 10.7270/Q27W6BDJ
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50090308
PNG
(1-{3-[2-(4-Nitro-phenyl)-acetylamino]-propyl}-4-ph...)
Show SMILES COC(=O)C1(CCN(CCCNC(=O)Cc2ccc(cc2)[N+]([O-])=O)CC1)c1ccccc1
Show InChI InChI=1S/C24H29N3O5/c1-32-23(29)24(20-6-3-2-4-7-20)12-16-26(17-13-24)15-5-14-25-22(28)18-19-8-10-21(11-9-19)27(30)31/h2-4,6-11H,5,12-18H2,1H3,(H,25,28)
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75n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-HEAT to cloned human alpha-1A adrenergic receptor.


Bioorg Med Chem Lett 10: 1621-4 (2000)


BindingDB Entry DOI: 10.7270/Q27W6BDJ
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50102242
PNG
(1-[3-(2,4-Dioxo-5,5-di-p-tolyl-oxazolidin-3-yl)-pr...)
Show SMILES Cc1ccc(cc1)C1(OC(=O)N(CCCN2CCC(CC2)(C#N)c2ccccc2C)C1=O)c1ccc(C)cc1
Show InChI InChI=1S/C33H35N3O3/c1-24-9-13-27(14-10-24)33(28-15-11-25(2)12-16-28)30(37)36(31(38)39-33)20-6-19-35-21-17-32(23-34,18-22-35)29-8-5-4-7-26(29)3/h4-5,7-16H,6,17-22H2,1-3H3
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77n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards cloned human Alpha-1A adrenergic receptor


Bioorg Med Chem Lett 11: 1959-62 (2001)


BindingDB Entry DOI: 10.7270/Q2Q52NXK
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50005127
PNG
(1,1-Dioxo-2-[4-(4-pyrimidin-2-yl-piperazin-1-yl)-b...)
Show SMILES O=C1N(CCCCN2CCN(CC2)c2ncccn2)S(=O)(=O)c2ccccc12
Show InChI InChI=1S/C19H23N5O3S/c25-18-16-6-1-2-7-17(16)28(26,27)24(18)11-4-3-10-22-12-14-23(15-13-22)19-20-8-5-9-21-19/h1-2,5-9H,3-4,10-15H2
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87n/an/an/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Binding affinity against human Alpha-1a adrenergic receptor was evaluated by cloned receptor binding assay


Bioorg Med Chem Lett 8: 2495-500 (1999)


BindingDB Entry DOI: 10.7270/Q2J38T2G
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50102245
PNG
(4-(2-Chloro-phenyl)-1-[3-(2,5-dioxo-3,3-di-p-tolyl...)
Show SMILES Cc1ccc(cc1)C1(CC(=O)N(CCCN2CCC(CC2)(C#N)c2ccccc2Cl)C1=O)c1ccc(C)cc1
Show InChI InChI=1S/C33H34ClN3O2/c1-24-8-12-26(13-9-24)33(27-14-10-25(2)11-15-27)22-30(38)37(31(33)39)19-5-18-36-20-16-32(23-35,17-21-36)28-6-3-4-7-29(28)34/h3-4,6-15H,5,16-22H2,1-2H3
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98n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards cloned human Alpha-1B adrenergic receptor


Bioorg Med Chem Lett 11: 1959-62 (2001)


BindingDB Entry DOI: 10.7270/Q2Q52NXK
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50071684
PNG
((R)-1-[4-(5-Chloro-1,1,3-trioxo-1,3-dihydro-1lambd...)
Show SMILES CCOC(=O)[C@H]1CN(CCCCN2C(=O)c3cc(Cl)ccc3S2(=O)=O)CC[C@H]1c1ccccc1
Show InChI InChI=1S/C25H29ClN2O5S/c1-2-33-25(30)22-17-27(15-12-20(22)18-8-4-3-5-9-18)13-6-7-14-28-24(29)21-16-19(26)10-11-23(21)34(28,31)32/h3-5,8-11,16,20,22H,2,6-7,12-15,17H2,1H3/t20-,22?/m0/s1
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98n/an/an/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Binding affinity against human Alpha-1a adrenergic receptor was evaluated by cloned receptor binding assay


Bioorg Med Chem Lett 8: 2495-500 (1999)


BindingDB Entry DOI: 10.7270/Q2J38T2G
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50071688
PNG
((3R,4S)-1-[4-(5-Chloro-1,1,3-trioxo-1,3-dihydro-1l...)
Show SMILES CCOC(=O)[C@H]1CN(CCCCN2C(=O)c3cc(Cl)ccc3S2(=O)=O)CC[C@@H]1c1ccccc1
Show InChI InChI=1S/C25H29ClN2O5S/c1-2-33-25(30)22-17-27(15-12-20(22)18-8-4-3-5-9-18)13-6-7-14-28-24(29)21-16-19(26)10-11-23(21)34(28,31)32/h3-5,8-11,16,20,22H,2,6-7,12-15,17H2,1H3/t20-,22+/m1/s1
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100n/an/an/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Binding affinity against human Alpha-1a adrenergic receptor was evaluated by cloned receptor binding assay


Bioorg Med Chem Lett 8: 2495-500 (1999)


BindingDB Entry DOI: 10.7270/Q2J38T2G
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50090311
PNG
(CHEMBL435576 | N-[3-(4-Phenyl-piperazin-1-yl)-prop...)
Show SMILES Cc1ccc(cc1)C(C(=O)NCCCN1CCN(CC1)c1ccccc1)c1ccc(C)cc1
Show InChI InChI=1S/C29H35N3O/c1-23-9-13-25(14-10-23)28(26-15-11-24(2)12-16-26)29(33)30-17-6-18-31-19-21-32(22-20-31)27-7-4-3-5-8-27/h3-5,7-16,28H,6,17-22H2,1-2H3,(H,30,33)
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128n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-HEAT to cloned human alpha-1D adrenergic receptor.


Bioorg Med Chem Lett 10: 1621-4 (2000)


BindingDB Entry DOI: 10.7270/Q27W6BDJ
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50090304
PNG
(1-[3-(2,2-Di-p-tolyl-acetylamino)-propyl]-4-phenyl...)
Show SMILES COC(=O)C1(CCN(CCCNC(=O)C(c2ccc(C)cc2)c2ccc(C)cc2)CC1)c1ccccc1
Show InChI InChI=1S/C32H38N2O3/c1-24-10-14-26(15-11-24)29(27-16-12-25(2)13-17-27)30(35)33-20-7-21-34-22-18-32(19-23-34,31(36)37-3)28-8-5-4-6-9-28/h4-6,8-17,29H,7,18-23H2,1-3H3,(H,33,35)
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170n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards cloned human Alpha-1B adrenergic receptor


Bioorg Med Chem Lett 11: 1959-62 (2001)


BindingDB Entry DOI: 10.7270/Q2Q52NXK
More data for this
Ligand-Target Pair
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