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PubMed code 11459670

Compile data set for download or QSAR
Found 30 hits of Enzyme Inhibition Constant Data   
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)


Article DOI: 10.1016/s0960-894x(01)00320-1
BindingDB Entry DOI: 10.7270/Q2Q52NXK
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)


Article DOI: 10.1016/s0960-894x(01)00320-1
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)


Article DOI: 10.1016/s0960-894x(01)00320-1
BindingDB Entry DOI: 10.7270/Q2Q52NXK
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)


Article DOI: 10.1016/s0960-894x(01)00320-1
BindingDB Entry DOI: 10.7270/Q2Q52NXK
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)


Article DOI: 10.1016/s0960-894x(01)00320-1
BindingDB Entry DOI: 10.7270/Q2Q52NXK
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)


Article DOI: 10.1016/s0960-894x(01)00320-1
BindingDB Entry DOI: 10.7270/Q2Q52NXK
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)


Article DOI: 10.1016/s0960-894x(01)00320-1
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
In vitro binding affinity towards cloned human Alpha-1A adrenergic receptor


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


Article DOI: 10.1016/s0960-894x(01)00320-1
BindingDB Entry DOI: 10.7270/Q2Q52NXK
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)


Article DOI: 10.1016/s0960-894x(01)00320-1
BindingDB Entry DOI: 10.7270/Q2Q52NXK
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)


Article DOI: 10.1016/s0960-894x(01)00320-1
BindingDB Entry DOI: 10.7270/Q2Q52NXK
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)


Article DOI: 10.1016/s0960-894x(01)00320-1
BindingDB Entry DOI: 10.7270/Q2Q52NXK
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(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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220n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


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


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


Article DOI: 10.1016/s0960-894x(01)00320-1
BindingDB Entry DOI: 10.7270/Q2Q52NXK
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50102244
PNG
(4-(2-Chloro-phenyl)-1-[3-(2-oxo-5-thioxo-3,3-di-p-...)
Show SMILES Cc1ccc(cc1)C1(CC(=S)N(CCCN2CCC(CC2)(C#N)c2ccccc2Cl)C1=O)c1ccc(C)cc1
Show InChI InChI=1S/C33H34ClN3OS/c1-24-8-12-26(13-9-24)33(27-14-10-25(2)11-15-27)22-30(39)37(31(33)38)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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220n/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)


Article DOI: 10.1016/s0960-894x(01)00320-1
BindingDB Entry DOI: 10.7270/Q2Q52NXK
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(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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570n/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)


Article DOI: 10.1016/s0960-894x(01)00320-1
BindingDB Entry DOI: 10.7270/Q2Q52NXK
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(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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975n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


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


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


Article DOI: 10.1016/s0960-894x(01)00320-1
BindingDB Entry DOI: 10.7270/Q2Q52NXK
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(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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1.40E+3n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


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


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


Article DOI: 10.1016/s0960-894x(01)00320-1
BindingDB Entry DOI: 10.7270/Q2Q52NXK
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(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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1.50E+3n/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)


Article DOI: 10.1016/s0960-894x(01)00320-1
BindingDB Entry DOI: 10.7270/Q2Q52NXK
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(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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1.50E+3n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


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


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


Article DOI: 10.1016/s0960-894x(01)00320-1
BindingDB Entry DOI: 10.7270/Q2Q52NXK
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(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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1.50E+3n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


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


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


Article DOI: 10.1016/s0960-894x(01)00320-1
BindingDB Entry DOI: 10.7270/Q2Q52NXK
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(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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1.80E+3n/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)


Article DOI: 10.1016/s0960-894x(01)00320-1
BindingDB Entry DOI: 10.7270/Q2Q52NXK
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(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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1.90E+3n/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)


Article DOI: 10.1016/s0960-894x(01)00320-1
BindingDB Entry DOI: 10.7270/Q2Q52NXK
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(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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>2.00E+3n/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)


Article DOI: 10.1016/s0960-894x(01)00320-1
BindingDB Entry DOI: 10.7270/Q2Q52NXK
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(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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>2.00E+3n/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)


Article DOI: 10.1016/s0960-894x(01)00320-1
BindingDB Entry DOI: 10.7270/Q2Q52NXK
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50102244
PNG
(4-(2-Chloro-phenyl)-1-[3-(2-oxo-5-thioxo-3,3-di-p-...)
Show SMILES Cc1ccc(cc1)C1(CC(=S)N(CCCN2CCC(CC2)(C#N)c2ccccc2Cl)C1=O)c1ccc(C)cc1
Show InChI InChI=1S/C33H34ClN3OS/c1-24-8-12-26(13-9-24)33(27-14-10-25(2)11-15-27)22-30(39)37(31(33)38)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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>2.00E+3n/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)


Article DOI: 10.1016/s0960-894x(01)00320-1
BindingDB Entry DOI: 10.7270/Q2Q52NXK
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(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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>3.00E+3n/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)


Article DOI: 10.1016/s0960-894x(01)00320-1
BindingDB Entry DOI: 10.7270/Q2Q52NXK
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(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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3.40E+3n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


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


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


Article DOI: 10.1016/s0960-894x(01)00320-1
BindingDB Entry DOI: 10.7270/Q2Q52NXK
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(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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4.10E+3n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


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


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


Article DOI: 10.1016/s0960-894x(01)00320-1
BindingDB Entry DOI: 10.7270/Q2Q52NXK
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(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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4.80E+3n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


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


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


Article DOI: 10.1016/s0960-894x(01)00320-1
BindingDB Entry DOI: 10.7270/Q2Q52NXK
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(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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>5.00E+3n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


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


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


Article DOI: 10.1016/s0960-894x(01)00320-1
BindingDB Entry DOI: 10.7270/Q2Q52NXK
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(HUMAN)
BDBM50102244
PNG
(4-(2-Chloro-phenyl)-1-[3-(2-oxo-5-thioxo-3,3-di-p-...)
Show SMILES Cc1ccc(cc1)C1(CC(=S)N(CCCN2CCC(CC2)(C#N)c2ccccc2Cl)C1=O)c1ccc(C)cc1
Show InChI InChI=1S/C33H34ClN3OS/c1-24-8-12-26(13-9-24)33(27-14-10-25(2)11-15-27)22-30(39)37(31(33)38)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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>5.00E+3n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


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


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


Article DOI: 10.1016/s0960-894x(01)00320-1
BindingDB Entry DOI: 10.7270/Q2Q52NXK
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%