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PubMed code 9857099

Compile data set for download or QSAR
Found 94 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
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM29568
PNG
(CHEMBL2 | PRAZOSIN | PRAZOSIN HYDROCHLORIDE | [3H]...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1
Show InChI InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)
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0.330n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity was determined for the alpha-1D adrenergic receptor


J Med Chem 41: 5320-33 (1999)


Article DOI: 10.1021/jm980506g
BindingDB Entry DOI: 10.7270/Q2R78DCS
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM29568
PNG
(CHEMBL2 | PRAZOSIN | PRAZOSIN HYDROCHLORIDE | [3H]...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1
Show InChI InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)
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0.550n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity was determined for the alpha-1B adrenergic receptor


J Med Chem 41: 5320-33 (1999)


Article DOI: 10.1021/jm980506g
BindingDB Entry DOI: 10.7270/Q2R78DCS
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM29568
PNG
(CHEMBL2 | PRAZOSIN | PRAZOSIN HYDROCHLORIDE | [3H]...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1
Show InChI InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)
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0.580n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity was determined for the alpha-1A adrenergic receptor


J Med Chem 41: 5320-33 (1999)


Article DOI: 10.1021/jm980506g
BindingDB Entry DOI: 10.7270/Q2R78DCS
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50068839
PNG
(1-(3-{[5-Carbamoyl-2,6-dimethyl-4-(4-nitro-phenyl)...)
Show SMILES COC(=O)C1(CCN(CCCNC(=O)C2=C(C)N=C(C)C(C2c2ccc(cc2)[N+]([O-])=O)C(N)=O)CC1)c1ccccc1 |c:14,t:17|
Show InChI InChI=1S/C31H37N5O6/c1-20-25(28(32)37)27(22-10-12-24(13-11-22)36(40)41)26(21(2)34-20)29(38)33-16-7-17-35-18-14-31(15-19-35,30(39)42-3)23-8-5-4-6-9-23/h4-6,8-13,25,27H,7,14-19H2,1-3H3,(H2,32,37)(H,33,38)
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0.840n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity was determined for the alpha-1A adrenergic receptor


J Med Chem 41: 5320-33 (1999)


Article DOI: 10.1021/jm980506g
BindingDB Entry DOI: 10.7270/Q2R78DCS
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50068828
PNG
(2,6-Dimethyl-4-(4-nitro-phenyl)-1,4-dihydro-pyridi...)
Show SMILES CC1=NC(C)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:4,t:1|
Show InChI InChI=1S/C35H39N5O4/c1-24-30(33(36)41)32(26-14-16-29(17-15-26)40(43)44)31(25(2)38-24)34(42)37-20-9-21-39-22-18-35(19-23-39,27-10-5-3-6-11-27)28-12-7-4-8-13-28/h3-8,10-17,30,32H,9,18-23H2,1-2H3,(H2,36,41)(H,37,42)
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1.87n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity was determined for the alpha-1A adrenergic receptor


J Med Chem 41: 5320-33 (1999)


Article DOI: 10.1021/jm980506g
BindingDB Entry DOI: 10.7270/Q2R78DCS
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50068831
PNG
(1-(3-{[5-Acetyl-2,6-dimethyl-4-(4-nitro-phenyl)-1,...)
Show SMILES CCOC(=O)C1(CCN(CCCNC(=O)C2=C(C)N=C(C)C(C2c2ccc(cc2)[N+]([O-])=O)C(C)=O)CC1)c1ccccc1 |c:15,t:18|
Show InChI InChI=1S/C33H40N4O6/c1-5-43-32(40)33(26-10-7-6-8-11-26)16-20-36(21-17-33)19-9-18-34-31(39)29-23(3)35-22(2)28(24(4)38)30(29)25-12-14-27(15-13-25)37(41)42/h6-8,10-15,28,30H,5,9,16-21H2,1-4H3,(H,34,39)
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1.90n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity was determined for the alpha-1A adrenergic receptor


J Med Chem 41: 5320-33 (1999)


Article DOI: 10.1021/jm980506g
BindingDB Entry DOI: 10.7270/Q2R78DCS
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50068830
PNG
(1-(3-{[5-Carbamoyl-2,6-dimethyl-4-(4-nitro-phenyl)...)
Show SMILES CCOC(=O)C1(CCN(CCCNC(=O)C2=C(C)N=C(C)C(C2c2ccc(cc2)[N+]([O-])=O)C(N)=O)CC1)c1ccccc1 |c:15,t:18|
Show InChI InChI=1S/C32H39N5O6/c1-4-43-31(40)32(24-9-6-5-7-10-24)15-19-36(20-16-32)18-8-17-34-30(39)27-22(3)35-21(2)26(29(33)38)28(27)23-11-13-25(14-12-23)37(41)42/h5-7,9-14,26,28H,4,8,15-20H2,1-3H3,(H2,33,38)(H,34,39)
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2.19n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity was determined for the alpha-1A adrenergic receptor


J Med Chem 41: 5320-33 (1999)


Article DOI: 10.1021/jm980506g
BindingDB Entry DOI: 10.7270/Q2R78DCS
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50068818
PNG
(1-(3-{[2,6-Dimethyl-5-methylcarbamoyl-4-(4-nitro-p...)
Show SMILES CNC(=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/C32H39N5O6/c1-21-26(29(38)33-3)28(23-11-13-25(14-12-23)37(41)42)27(22(2)35-21)30(39)34-17-8-18-36-19-15-32(16-20-36,31(40)43-4)24-9-6-5-7-10-24/h5-7,9-14,26,28H,8,15-20H2,1-4H3,(H,33,38)(H,34,39)
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2.42n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity was determined for the alpha-1A adrenergic receptor


J Med Chem 41: 5320-33 (1999)


Article DOI: 10.1021/jm980506g
BindingDB Entry DOI: 10.7270/Q2R78DCS
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50068825
PNG
(1-(3-{[5-Acetyl-2,6-dimethyl-4-(4-nitro-phenyl)-1,...)
Show SMILES COC(=O)C1(CCN(CCCNC(=O)C2=C(C)N=C(C)C(C2c2ccc(cc2)[N+]([O-])=O)C(C)=O)CC1)c1ccccc1 |c:14,t:17|
Show InChI InChI=1S/C32H38N4O6/c1-21-27(23(3)37)29(24-11-13-26(14-12-24)36(40)41)28(22(2)34-21)30(38)33-17-8-18-35-19-15-32(16-20-35,31(39)42-4)25-9-6-5-7-10-25/h5-7,9-14,27,29H,8,15-20H2,1-4H3,(H,33,38)
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2.57n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity was determined for the alpha-1A adrenergic receptor


J Med Chem 41: 5320-33 (1999)


Article DOI: 10.1021/jm980506g
BindingDB Entry DOI: 10.7270/Q2R78DCS
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50068836
PNG
(2,6-Dimethyl-4-(4-nitro-phenyl)-1,4-dihydro-pyridi...)
Show SMILES CC1=NC(C)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(C#N)c1ccccc1 |c:4,t:1|
Show InChI InChI=1S/C30H34N6O4/c1-20-25(28(32)37)27(22-9-11-24(12-10-22)36(39)40)26(21(2)34-20)29(38)33-15-6-16-35-17-13-30(19-31,14-18-35)23-7-4-3-5-8-23/h3-5,7-12,25,27H,6,13-18H2,1-2H3,(H2,32,37)(H,33,38)
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2.88n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity was determined for the alpha-1A adrenergic receptor


J Med Chem 41: 5320-33 (1999)


Article DOI: 10.1021/jm980506g
BindingDB Entry DOI: 10.7270/Q2R78DCS
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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3.58n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity was determined for the alpha-1A adrenergic receptor


J Med Chem 41: 5320-33 (1999)


Article DOI: 10.1021/jm980506g
BindingDB Entry DOI: 10.7270/Q2R78DCS
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50068829
PNG
(5-[3-(4-Methoxycarbonyl-4-phenyl-piperidin-1-yl)-p...)
Show SMILES COC(=O)C1(CCN(CCCNC(=O)C2=C(C)N=C(C)C(C2c2ccc(cc2)[N+]([O-])=O)C(=O)OCCO)CC1)c1ccccc1 |c:14,t:17|
Show InChI InChI=1S/C33H40N4O8/c1-22-27(29(24-10-12-26(13-11-24)37(42)43)28(23(2)35-22)31(40)45-21-20-38)30(39)34-16-7-17-36-18-14-33(15-19-36,32(41)44-3)25-8-5-4-6-9-25/h4-6,8-13,28-29,38H,7,14-21H2,1-3H3,(H,34,39)
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3.66n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity was determined for the alpha-1A adrenergic receptor


J Med Chem 41: 5320-33 (1999)


Article DOI: 10.1021/jm980506g
BindingDB Entry DOI: 10.7270/Q2R78DCS
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50068827
PNG
(5-[3-(4-Methoxycarbonyl-4-phenyl-piperidin-1-yl)-p...)
Show SMILES CCOC(=O)C1C(C(C(=O)NCCCN2CCC(CC2)(C(=O)OC)c2ccccc2)=C(C)N=C1C)c1ccc(cc1)[N+]([O-])=O |c:34,t:31|
Show InChI InChI=1S/C33H40N4O7/c1-5-44-31(39)28-23(3)35-22(2)27(29(28)24-12-14-26(15-13-24)37(41)42)30(38)34-18-9-19-36-20-16-33(17-21-36,32(40)43-4)25-10-7-6-8-11-25/h6-8,10-15,28-29H,5,9,16-21H2,1-4H3,(H,34,38)
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3.72n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity was determined for the alpha-1A adrenergic receptor


J Med Chem 41: 5320-33 (1999)


Article DOI: 10.1021/jm980506g
BindingDB Entry DOI: 10.7270/Q2R78DCS
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50068814
PNG
(1-{3-[(5-Acetyl-4-benzo[1,3]dioxol-5-yl-2,6-dimeth...)
Show SMILES COC(=O)C1(CCN(CCCNC(=O)C2=C(C)N=C(C)C(C2c2ccc3OCOc3c2)C(C)=O)CC1)c1ccccc1 |c:14,t:17|
Show InChI InChI=1S/C33H39N3O6/c1-21-28(23(3)37)30(24-11-12-26-27(19-24)42-20-41-26)29(22(2)35-21)31(38)34-15-8-16-36-17-13-33(14-18-36,32(39)40-4)25-9-6-5-7-10-25/h5-7,9-12,19,28,30H,8,13-18,20H2,1-4H3,(H,34,38)
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4.17n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity was determined for the alpha-1A adrenergic receptor


J Med Chem 41: 5320-33 (1999)


Article DOI: 10.1021/jm980506g
BindingDB Entry DOI: 10.7270/Q2R78DCS
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50068824
PNG
(5-[3-(4-Methoxycarbonyl-4-phenyl-piperidin-1-yl)-p...)
Show SMILES COC(=O)C1(CCN(CCCNC(=O)C2=C(C)N=C(C)C(C2c2ccc(cc2)[N+]([O-])=O)C(=O)OCCC#N)CC1)c1ccccc1 |c:14,t:17|
Show InChI InChI=1S/C34H39N5O7/c1-23-28(30(25-11-13-27(14-12-25)39(43)44)29(24(2)37-23)32(41)46-22-7-17-35)31(40)36-18-8-19-38-20-15-34(16-21-38,33(42)45-3)26-9-5-4-6-10-26/h4-6,9-14,29-30H,7-8,15-16,18-22H2,1-3H3,(H,36,40)
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4.79n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity was determined for the alpha-1A adrenergic receptor


J Med Chem 41: 5320-33 (1999)


Article DOI: 10.1021/jm980506g
BindingDB Entry DOI: 10.7270/Q2R78DCS
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50068833
PNG
(1-(3-{[5-Ethylcarbamoyl-2,6-dimethyl-4-(4-nitro-ph...)
Show SMILES CCNC(=O)C1C(C(C(=O)NCCCN2CCC(CC2)(C(=O)OC)c2ccccc2)=C(C)N=C1C)c1ccc(cc1)[N+]([O-])=O |c:34,t:31|
Show InChI InChI=1S/C33H41N5O6/c1-5-34-30(39)27-22(2)36-23(3)28(29(27)24-12-14-26(15-13-24)38(42)43)31(40)35-18-9-19-37-20-16-33(17-21-37,32(41)44-4)25-10-7-6-8-11-25/h6-8,10-15,27,29H,5,9,16-21H2,1-4H3,(H,34,39)(H,35,40)
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4.82n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity was determined for the alpha-1A adrenergic receptor


J Med Chem 41: 5320-33 (1999)


Article DOI: 10.1021/jm980506g
BindingDB Entry DOI: 10.7270/Q2R78DCS
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50068821
PNG
(1-(3-{[5-Carbamoyl-2,6-dimethyl-4-(4-nitro-phenyl)...)
Show SMILES COCCOC(=O)C1(CCN(CCCNC(=O)C2=C(C)N=C(C)C(C2c2ccc(cc2)[N+]([O-])=O)C(N)=O)CC1)c1ccccc1 |c:17,t:20|
Show InChI InChI=1S/C33H41N5O7/c1-22-27(30(34)39)29(24-10-12-26(13-11-24)38(42)43)28(23(2)36-22)31(40)35-16-7-17-37-18-14-33(15-19-37,25-8-5-4-6-9-25)32(41)45-21-20-44-3/h4-6,8-13,27,29H,7,14-21H2,1-3H3,(H2,34,39)(H,35,40)
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5.41n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity was determined for the alpha-1A adrenergic receptor


J Med Chem 41: 5320-33 (1999)


Article DOI: 10.1021/jm980506g
BindingDB Entry DOI: 10.7270/Q2R78DCS
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50068835
PNG
(1-(3-{[5-Carbamoyl-2,6-dimethyl-4-(4-nitro-phenyl)...)
Show SMILES CC1=NC(C)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(C(=O)Oc1ccccc1)c1ccccc1 |c:4,t:1|
Show InChI InChI=1S/C36H39N5O6/c1-24-30(33(37)42)32(26-14-16-28(17-15-26)41(45)46)31(25(2)39-24)34(43)38-20-9-21-40-22-18-36(19-23-40,27-10-5-3-6-11-27)35(44)47-29-12-7-4-8-13-29/h3-8,10-17,30,32H,9,18-23H2,1-2H3,(H2,37,42)(H,38,43)
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5.98n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity was determined for the alpha-1A adrenergic receptor


J Med Chem 41: 5320-33 (1999)


Article DOI: 10.1021/jm980506g
BindingDB Entry DOI: 10.7270/Q2R78DCS
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50068823
PNG
(1-(3-{[2,6-Dimethyl-5-methylcarbamoyl-4-(4-nitro-p...)
Show SMILES CCOC(=O)C1(CCN(CCCNC(=O)C2=C(C)N=C(C)C(C2c2ccc(cc2)[N+]([O-])=O)C(=O)NC)CC1)c1ccccc1 |c:15,t:18|
Show InChI InChI=1S/C33H41N5O6/c1-5-44-32(41)33(25-10-7-6-8-11-25)16-20-37(21-17-33)19-9-18-35-31(40)28-23(3)36-22(2)27(30(39)34-4)29(28)24-12-14-26(15-13-24)38(42)43/h6-8,10-15,27,29H,5,9,16-21H2,1-4H3,(H,34,39)(H,35,40)
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6.12n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity was determined for the alpha-1A adrenergic receptor


J Med Chem 41: 5320-33 (1999)


Article DOI: 10.1021/jm980506g
BindingDB Entry DOI: 10.7270/Q2R78DCS
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50068832
PNG
(2,6-Dimethyl-4-(4-nitro-phenyl)-1,4-dihydro-pyridi...)
Show SMILES CNC(=O)C1C(C(C(=O)NCCCN2CCC(CC2)c2ccccc2)=C(C)N=C1C)c1ccc(cc1)[N+]([O-])=O |c:29,t:26|
Show InChI InChI=1S/C30H37N5O4/c1-20-26(29(36)31-3)28(24-10-12-25(13-11-24)35(38)39)27(21(2)33-20)30(37)32-16-7-17-34-18-14-23(15-19-34)22-8-5-4-6-9-22/h4-6,8-13,23,26,28H,7,14-19H2,1-3H3,(H,31,36)(H,32,37)
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6.17n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity was determined for the alpha-1A adrenergic receptor


J Med Chem 41: 5320-33 (1999)


Article DOI: 10.1021/jm980506g
BindingDB Entry DOI: 10.7270/Q2R78DCS
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50068815
PNG
(2,6-Dimethyl-4-(4-nitro-phenyl)-1,4-dihydro-pyridi...)
Show SMILES CC1=NC(C)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(O)(CC1)c1ccccc1 |c:4,t:1|
Show InChI InChI=1S/C29H35N5O5/c1-19-24(27(30)35)26(21-9-11-23(12-10-21)34(38)39)25(20(2)32-19)28(36)31-15-6-16-33-17-13-29(37,14-18-33)22-7-4-3-5-8-22/h3-5,7-12,24,26,37H,6,13-18H2,1-2H3,(H2,30,35)(H,31,36)
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7.70n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity was determined for the alpha-1A adrenergic receptor


J Med Chem 41: 5320-33 (1999)


Article DOI: 10.1021/jm980506g
BindingDB Entry DOI: 10.7270/Q2R78DCS
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50068840
PNG
(1-{3-[(4-Benzo[1,3]dioxol-5-yl-5-carbamoyl-2,6-dim...)
Show SMILES CCOC(=O)C1(CCN(CCCNC(=O)C2=C(C)N=C(C)C(C2c2ccc3OCOc3c2)C(N)=O)CC1)c1ccccc1 |c:15,t:18|
Show InChI InChI=1S/C33H40N4O6/c1-4-41-32(40)33(24-9-6-5-7-10-24)13-17-37(18-14-33)16-8-15-35-31(39)28-22(3)36-21(2)27(30(34)38)29(28)23-11-12-25-26(19-23)43-20-42-25/h5-7,9-12,19,27,29H,4,8,13-18,20H2,1-3H3,(H2,34,38)(H,35,39)
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7.70n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity was determined for the alpha-1A adrenergic receptor


J Med Chem 41: 5320-33 (1999)


Article DOI: 10.1021/jm980506g
BindingDB Entry DOI: 10.7270/Q2R78DCS
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50068837
PNG
(1-(3-{[5-Carbamoyl-2,6-dimethyl-4-(4-nitro-phenyl)...)
Show SMILES CC1=NC(C)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(C(=O)OCCO)c1ccccc1 |c:4,t:1|
Show InChI InChI=1S/C32H39N5O7/c1-21-26(29(33)39)28(23-9-11-25(12-10-23)37(42)43)27(22(2)35-21)30(40)34-15-6-16-36-17-13-32(14-18-36,31(41)44-20-19-38)24-7-4-3-5-8-24/h3-5,7-12,26,28,38H,6,13-20H2,1-2H3,(H2,33,39)(H,34,40)
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9.05n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity was determined for the alpha-1A adrenergic receptor


J Med Chem 41: 5320-33 (1999)


Article DOI: 10.1021/jm980506g
BindingDB Entry DOI: 10.7270/Q2R78DCS
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50068817
PNG
(2,6-Dimethyl-4-(4-nitro-phenyl)-1,4-dihydro-pyridi...)
Show SMILES CC(=O)C1(CCN(CCCNC(=O)C2=C(C)N=C(C)C(C2c2ccc(cc2)[N+]([O-])=O)C(N)=O)CC1)c1ccccc1 |c:13,t:16|
Show InChI InChI=1S/C31H37N5O5/c1-20-26(29(32)38)28(23-10-12-25(13-11-23)36(40)41)27(21(2)34-20)30(39)33-16-7-17-35-18-14-31(15-19-35,22(3)37)24-8-5-4-6-9-24/h4-6,8-13,26,28H,7,14-19H2,1-3H3,(H2,32,38)(H,33,39)
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27n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity was determined for the alpha-1A adrenergic receptor


J Med Chem 41: 5320-33 (1999)


Article DOI: 10.1021/jm980506g
BindingDB Entry DOI: 10.7270/Q2R78DCS
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50068834
PNG
(5-[3-(4-Methoxycarbonyl-4-phenyl-piperidin-1-yl)-p...)
Show SMILES COC(=O)C1(CCN(CCCNC(=O)C2=C(C)N=C(C)C(C2c2ccc(cc2)[N+]([O-])=O)C(O)=O)CC1)c1ccccc1 |c:14,t:17|
Show InChI InChI=1S/C31H36N4O7/c1-20-25(27(26(29(37)38)21(2)33-20)22-10-12-24(13-11-22)35(40)41)28(36)32-16-7-17-34-18-14-31(15-19-34,30(39)42-3)23-8-5-4-6-9-23/h4-6,8-13,26-27H,7,14-19H2,1-3H3,(H,32,36)(H,37,38)
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59n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity was determined for the alpha-1A adrenergic receptor


J Med Chem 41: 5320-33 (1999)


Article DOI: 10.1021/jm980506g
BindingDB Entry DOI: 10.7270/Q2R78DCS
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50068816
PNG
(2,6-Dimethyl-4-(4-nitro-phenyl)-1,4-dihydro-pyridi...)
Show SMILES CC1=NC(C)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(C)(CC1)c1ccccc1 |c:4,t:1|
Show InChI InChI=1S/C30H37N5O4/c1-20-25(28(31)36)27(22-10-12-24(13-11-22)35(38)39)26(21(2)33-20)29(37)32-16-7-17-34-18-14-30(3,15-19-34)23-8-5-4-6-9-23/h4-6,8-13,25,27H,7,14-19H2,1-3H3,(H2,31,36)(H,32,37)
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63n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity was determined for the alpha-1A adrenergic receptor


J Med Chem 41: 5320-33 (1999)


Article DOI: 10.1021/jm980506g
BindingDB Entry DOI: 10.7270/Q2R78DCS
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50068835
PNG
(1-(3-{[5-Carbamoyl-2,6-dimethyl-4-(4-nitro-phenyl)...)
Show SMILES CC1=NC(C)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(C(=O)Oc1ccccc1)c1ccccc1 |c:4,t:1|
Show InChI InChI=1S/C36H39N5O6/c1-24-30(33(37)42)32(26-14-16-28(17-15-26)41(45)46)31(25(2)39-24)34(43)38-20-9-21-40-22-18-36(19-23-40,27-10-5-3-6-11-27)35(44)47-29-12-7-4-8-13-29/h3-8,10-17,30,32H,9,18-23H2,1-2H3,(H2,37,42)(H,38,43)
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156n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity was determined for the alpha-1B adrenergic receptor


J Med Chem 41: 5320-33 (1999)


Article DOI: 10.1021/jm980506g
BindingDB Entry DOI: 10.7270/Q2R78DCS
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50068832
PNG
(2,6-Dimethyl-4-(4-nitro-phenyl)-1,4-dihydro-pyridi...)
Show SMILES CNC(=O)C1C(C(C(=O)NCCCN2CCC(CC2)c2ccccc2)=C(C)N=C1C)c1ccc(cc1)[N+]([O-])=O |c:29,t:26|
Show InChI InChI=1S/C30H37N5O4/c1-20-26(29(36)31-3)28(24-10-12-25(13-11-24)35(38)39)27(21(2)33-20)30(37)32-16-7-17-34-18-14-23(15-19-34)22-8-5-4-6-9-22/h4-6,8-13,23,26,28H,7,14-19H2,1-3H3,(H,31,36)(H,32,37)
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215n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity was determined for the alpha-1B adrenergic receptor


J Med Chem 41: 5320-33 (1999)


Article DOI: 10.1021/jm980506g
BindingDB Entry DOI: 10.7270/Q2R78DCS
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50068828
PNG
(2,6-Dimethyl-4-(4-nitro-phenyl)-1,4-dihydro-pyridi...)
Show SMILES CC1=NC(C)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:4,t:1|
Show InChI InChI=1S/C35H39N5O4/c1-24-30(33(36)41)32(26-14-16-29(17-15-26)40(43)44)31(25(2)38-24)34(42)37-20-9-21-39-22-18-35(19-23-39,27-10-5-3-6-11-27)28-12-7-4-8-13-28/h3-8,10-17,30,32H,9,18-23H2,1-2H3,(H2,36,41)(H,37,42)
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330n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity was determined for the alpha-1B adrenergic receptor


J Med Chem 41: 5320-33 (1999)


Article DOI: 10.1021/jm980506g
BindingDB Entry DOI: 10.7270/Q2R78DCS
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50068827
PNG
(5-[3-(4-Methoxycarbonyl-4-phenyl-piperidin-1-yl)-p...)
Show SMILES CCOC(=O)C1C(C(C(=O)NCCCN2CCC(CC2)(C(=O)OC)c2ccccc2)=C(C)N=C1C)c1ccc(cc1)[N+]([O-])=O |c:34,t:31|
Show InChI InChI=1S/C33H40N4O7/c1-5-44-31(39)28-23(3)35-22(2)27(29(28)24-12-14-26(15-13-24)37(41)42)30(38)34-18-9-19-36-20-16-33(17-21-36,32(40)43-4)25-10-7-6-8-11-25/h6-8,10-15,28-29H,5,9,16-21H2,1-4H3,(H,34,38)
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390n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity was determined for the alpha-1B adrenergic receptor


J Med Chem 41: 5320-33 (1999)


Article DOI: 10.1021/jm980506g
BindingDB Entry DOI: 10.7270/Q2R78DCS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50068818
PNG
(1-(3-{[2,6-Dimethyl-5-methylcarbamoyl-4-(4-nitro-p...)
Show SMILES CNC(=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/C32H39N5O6/c1-21-26(29(38)33-3)28(23-11-13-25(14-12-23)37(41)42)27(22(2)35-21)30(39)34-17-8-18-36-19-15-32(16-20-36,31(40)43-4)24-9-6-5-7-10-24/h5-7,9-14,26,28H,8,15-20H2,1-4H3,(H,33,38)(H,34,39)
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427n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity of the compound was determined for recombinant human 5-hydroxytryptamine 1A receptor using [3H]-5-HT as radioligand.


J Med Chem 41: 5320-33 (1999)


Article DOI: 10.1021/jm980506g
BindingDB Entry DOI: 10.7270/Q2R78DCS
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50068822
PNG
(2,6-Dimethyl-4-(4-nitro-phenyl)-1,4-dihydro-pyridi...)
Show SMILES CN(C)C(=O)C1(CCN(CCCNC(=O)C2=C(C)N=C(C)C(C2c2ccc(cc2)[N+]([O-])=O)C(N)=O)CC1)c1ccccc1 |c:15,t:18|
Show InChI InChI=1S/C32H40N6O5/c1-21-26(29(33)39)28(23-11-13-25(14-12-23)38(42)43)27(22(2)35-21)30(40)34-17-8-18-37-19-15-32(16-20-37,31(41)36(3)4)24-9-6-5-7-10-24/h5-7,9-14,26,28H,8,15-20H2,1-4H3,(H2,33,39)(H,34,40)
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460n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity was determined for the alpha-1A adrenergic receptor


J Med Chem 41: 5320-33 (1999)


Article DOI: 10.1021/jm980506g
BindingDB Entry DOI: 10.7270/Q2R78DCS
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50068818
PNG
(1-(3-{[2,6-Dimethyl-5-methylcarbamoyl-4-(4-nitro-p...)
Show SMILES CNC(=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/C32H39N5O6/c1-21-26(29(38)33-3)28(23-11-13-25(14-12-23)37(41)42)27(22(2)35-21)30(39)34-17-8-18-36-19-15-32(16-20-36,31(40)43-4)24-9-6-5-7-10-24/h5-7,9-14,26,28H,8,15-20H2,1-4H3,(H,33,38)(H,34,39)
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491n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity of the compound was determined for recombinant human Histamine H1 receptor using [3H]-pyrilamine as radioligand.


J Med Chem 41: 5320-33 (1999)


Article DOI: 10.1021/jm980506g
BindingDB Entry DOI: 10.7270/Q2R78DCS
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50068824
PNG
(5-[3-(4-Methoxycarbonyl-4-phenyl-piperidin-1-yl)-p...)
Show SMILES COC(=O)C1(CCN(CCCNC(=O)C2=C(C)N=C(C)C(C2c2ccc(cc2)[N+]([O-])=O)C(=O)OCCC#N)CC1)c1ccccc1 |c:14,t:17|
Show InChI InChI=1S/C34H39N5O7/c1-23-28(30(25-11-13-27(14-12-25)39(43)44)29(24(2)37-23)32(41)46-22-7-17-35)31(40)36-18-8-19-38-20-15-34(16-21-38,33(42)45-3)26-9-5-4-6-10-26/h4-6,9-14,29-30H,7-8,15-16,18-22H2,1-3H3,(H,36,40)
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520n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity was determined for the alpha-1B adrenergic receptor


J Med Chem 41: 5320-33 (1999)


Article DOI: 10.1021/jm980506g
BindingDB Entry DOI: 10.7270/Q2R78DCS
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50068816
PNG
(2,6-Dimethyl-4-(4-nitro-phenyl)-1,4-dihydro-pyridi...)
Show SMILES CC1=NC(C)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(C)(CC1)c1ccccc1 |c:4,t:1|
Show InChI InChI=1S/C30H37N5O4/c1-20-25(28(31)36)27(22-10-12-24(13-11-22)35(38)39)26(21(2)33-20)29(37)32-16-7-17-34-18-14-30(3,15-19-34)23-8-5-4-6-9-23/h4-6,8-13,25,27H,7,14-19H2,1-3H3,(H2,31,36)(H,32,37)
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530n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity was determined for the alpha-1B adrenergic receptor


J Med Chem 41: 5320-33 (1999)


Article DOI: 10.1021/jm980506g
BindingDB Entry DOI: 10.7270/Q2R78DCS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50068835
PNG
(1-(3-{[5-Carbamoyl-2,6-dimethyl-4-(4-nitro-phenyl)...)
Show SMILES CC1=NC(C)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(C(=O)Oc1ccccc1)c1ccccc1 |c:4,t:1|
Show InChI InChI=1S/C36H39N5O6/c1-24-30(33(37)42)32(26-14-16-28(17-15-26)41(45)46)31(25(2)39-24)34(43)38-20-9-21-40-22-18-36(19-23-40,27-10-5-3-6-11-27)35(44)47-29-12-7-4-8-13-29/h3-8,10-17,30,32H,9,18-23H2,1-2H3,(H2,37,42)(H,38,43)
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585n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity was determined for the alpha-1D adrenergic receptor


J Med Chem 41: 5320-33 (1999)


Article DOI: 10.1021/jm980506g
BindingDB Entry DOI: 10.7270/Q2R78DCS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50068828
PNG
(2,6-Dimethyl-4-(4-nitro-phenyl)-1,4-dihydro-pyridi...)
Show SMILES CC1=NC(C)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:4,t:1|
Show InChI InChI=1S/C35H39N5O4/c1-24-30(33(36)41)32(26-14-16-29(17-15-26)40(43)44)31(25(2)38-24)34(42)37-20-9-21-39-22-18-35(19-23-39,27-10-5-3-6-11-27)28-12-7-4-8-13-28/h3-8,10-17,30,32H,9,18-23H2,1-2H3,(H2,36,41)(H,37,42)
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600n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity was determined for the alpha-1D adrenergic receptor


J Med Chem 41: 5320-33 (1999)


Article DOI: 10.1021/jm980506g
BindingDB Entry DOI: 10.7270/Q2R78DCS
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50068818
PNG
(1-(3-{[2,6-Dimethyl-5-methylcarbamoyl-4-(4-nitro-p...)
Show SMILES CNC(=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/C32H39N5O6/c1-21-26(29(38)33-3)28(23-11-13-25(14-12-23)37(41)42)27(22(2)35-21)30(39)34-17-8-18-36-19-15-32(16-20-36,31(40)43-4)24-9-6-5-7-10-24/h5-7,9-14,26,28H,8,15-20H2,1-4H3,(H,33,38)(H,34,39)
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607n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity was determined for the alpha-1A adrenergic receptor


J Med Chem 41: 5320-33 (1999)


Article DOI: 10.1021/jm980506g
BindingDB Entry DOI: 10.7270/Q2R78DCS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50068832
PNG
(2,6-Dimethyl-4-(4-nitro-phenyl)-1,4-dihydro-pyridi...)
Show SMILES CNC(=O)C1C(C(C(=O)NCCCN2CCC(CC2)c2ccccc2)=C(C)N=C1C)c1ccc(cc1)[N+]([O-])=O |c:29,t:26|
Show InChI InChI=1S/C30H37N5O4/c1-20-26(29(36)31-3)28(24-10-12-25(13-11-24)35(38)39)27(21(2)33-20)30(37)32-16-7-17-34-18-14-23(15-19-34)22-8-5-4-6-9-22/h4-6,8-13,23,26,28H,7,14-19H2,1-3H3,(H,31,36)(H,32,37)
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630n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity was determined for the alpha-1D adrenergic receptor


J Med Chem 41: 5320-33 (1999)


Article DOI: 10.1021/jm980506g
BindingDB Entry DOI: 10.7270/Q2R78DCS
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(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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700n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity was determined for the alpha-1B adrenergic receptor


J Med Chem 41: 5320-33 (1999)


Article DOI: 10.1021/jm980506g
BindingDB Entry DOI: 10.7270/Q2R78DCS
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50068814
PNG
(1-{3-[(5-Acetyl-4-benzo[1,3]dioxol-5-yl-2,6-dimeth...)
Show SMILES COC(=O)C1(CCN(CCCNC(=O)C2=C(C)N=C(C)C(C2c2ccc3OCOc3c2)C(C)=O)CC1)c1ccccc1 |c:14,t:17|
Show InChI InChI=1S/C33H39N3O6/c1-21-28(23(3)37)30(24-11-12-26-27(19-24)42-20-41-26)29(22(2)35-21)31(38)34-15-8-16-36-17-13-33(14-18-36,32(39)40-4)25-9-6-5-7-10-25/h5-7,9-12,19,28,30H,8,13-18,20H2,1-4H3,(H,34,38)
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720n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity was determined for the alpha-1B adrenergic receptor


J Med Chem 41: 5320-33 (1999)


Article DOI: 10.1021/jm980506g
BindingDB Entry DOI: 10.7270/Q2R78DCS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50068827
PNG
(5-[3-(4-Methoxycarbonyl-4-phenyl-piperidin-1-yl)-p...)
Show SMILES CCOC(=O)C1C(C(C(=O)NCCCN2CCC(CC2)(C(=O)OC)c2ccccc2)=C(C)N=C1C)c1ccc(cc1)[N+]([O-])=O |c:34,t:31|
Show InChI InChI=1S/C33H40N4O7/c1-5-44-31(39)28-23(3)35-22(2)27(29(28)24-12-14-26(15-13-24)37(41)42)30(38)34-18-9-19-36-20-16-33(17-21-36,32(40)43-4)25-10-7-6-8-11-25/h6-8,10-15,28-29H,5,9,16-21H2,1-4H3,(H,34,38)
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740n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity was determined for the alpha-1D adrenergic receptor


J Med Chem 41: 5320-33 (1999)


Article DOI: 10.1021/jm980506g
BindingDB Entry DOI: 10.7270/Q2R78DCS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50068824
PNG
(5-[3-(4-Methoxycarbonyl-4-phenyl-piperidin-1-yl)-p...)
Show SMILES COC(=O)C1(CCN(CCCNC(=O)C2=C(C)N=C(C)C(C2c2ccc(cc2)[N+]([O-])=O)C(=O)OCCC#N)CC1)c1ccccc1 |c:14,t:17|
Show InChI InChI=1S/C34H39N5O7/c1-23-28(30(25-11-13-27(14-12-25)39(43)44)29(24(2)37-23)32(41)46-22-7-17-35)31(40)36-18-8-19-38-20-15-34(16-21-38,33(42)45-3)26-9-5-4-6-10-26/h4-6,9-14,29-30H,7-8,15-16,18-22H2,1-3H3,(H,36,40)
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750n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity was determined for the alpha-1D adrenergic receptor


J Med Chem 41: 5320-33 (1999)


Article DOI: 10.1021/jm980506g
BindingDB Entry DOI: 10.7270/Q2R78DCS
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50068818
PNG
(1-(3-{[2,6-Dimethyl-5-methylcarbamoyl-4-(4-nitro-p...)
Show SMILES CNC(=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/C32H39N5O6/c1-21-26(29(38)33-3)28(23-11-13-25(14-12-23)37(41)42)27(22(2)35-21)30(39)34-17-8-18-36-19-15-32(16-20-36,31(40)43-4)24-9-6-5-7-10-24/h5-7,9-14,26,28H,8,15-20H2,1-4H3,(H,33,38)(H,34,39)
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760n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity of the compound was determined for recombinant human Alpha-2A adrenergic receptor using [3H]-rauwolscine as radioligand.


J Med Chem 41: 5320-33 (1999)


Article DOI: 10.1021/jm980506g
BindingDB Entry DOI: 10.7270/Q2R78DCS
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50068836
PNG
(2,6-Dimethyl-4-(4-nitro-phenyl)-1,4-dihydro-pyridi...)
Show SMILES CC1=NC(C)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(C#N)c1ccccc1 |c:4,t:1|
Show InChI InChI=1S/C30H34N6O4/c1-20-25(28(32)37)27(22-9-11-24(12-10-22)36(39)40)26(21(2)34-20)29(38)33-15-6-16-35-17-13-30(19-31,14-18-35)23-7-4-3-5-8-23/h3-5,7-12,25,27H,6,13-18H2,1-2H3,(H2,32,37)(H,33,38)
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1.02E+3n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity was determined for the alpha-1B adrenergic receptor


J Med Chem 41: 5320-33 (1999)


Article DOI: 10.1021/jm980506g
BindingDB Entry DOI: 10.7270/Q2R78DCS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(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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1.14E+3n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity was determined for the alpha-1D adrenergic receptor


J Med Chem 41: 5320-33 (1999)


Article DOI: 10.1021/jm980506g
BindingDB Entry DOI: 10.7270/Q2R78DCS
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50068825
PNG
(1-(3-{[5-Acetyl-2,6-dimethyl-4-(4-nitro-phenyl)-1,...)
Show SMILES COC(=O)C1(CCN(CCCNC(=O)C2=C(C)N=C(C)C(C2c2ccc(cc2)[N+]([O-])=O)C(C)=O)CC1)c1ccccc1 |c:14,t:17|
Show InChI InChI=1S/C32H38N4O6/c1-21-27(23(3)37)29(24-11-13-26(14-12-24)36(40)41)28(22(2)34-21)30(38)33-17-8-18-35-19-15-32(16-20-35,31(39)42-4)25-9-6-5-7-10-25/h5-7,9-14,27,29H,8,15-20H2,1-4H3,(H,33,38)
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1.18E+3n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity was determined for the alpha-1B adrenergic receptor


J Med Chem 41: 5320-33 (1999)


Article DOI: 10.1021/jm980506g
BindingDB Entry DOI: 10.7270/Q2R78DCS
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50068831
PNG
(1-(3-{[5-Acetyl-2,6-dimethyl-4-(4-nitro-phenyl)-1,...)
Show SMILES CCOC(=O)C1(CCN(CCCNC(=O)C2=C(C)N=C(C)C(C2c2ccc(cc2)[N+]([O-])=O)C(C)=O)CC1)c1ccccc1 |c:15,t:18|
Show InChI InChI=1S/C33H40N4O6/c1-5-43-32(40)33(26-10-7-6-8-11-26)16-20-36(21-17-33)19-9-18-34-31(39)29-23(3)35-22(2)28(24(4)38)30(29)25-12-14-27(15-13-25)37(41)42/h6-8,10-15,28,30H,5,9,16-21H2,1-4H3,(H,34,39)
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1.18E+3n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity was determined for the alpha-1B adrenergic receptor


J Med Chem 41: 5320-33 (1999)


Article DOI: 10.1021/jm980506g
BindingDB Entry DOI: 10.7270/Q2R78DCS
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50068818
PNG
(1-(3-{[2,6-Dimethyl-5-methylcarbamoyl-4-(4-nitro-p...)
Show SMILES CNC(=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/C32H39N5O6/c1-21-26(29(38)33-3)28(23-11-13-25(14-12-23)37(41)42)27(22(2)35-21)30(39)34-17-8-18-36-19-15-32(16-20-36,31(40)43-4)24-9-6-5-7-10-24/h5-7,9-14,26,28H,8,15-20H2,1-4H3,(H,33,38)(H,34,39)
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1.28E+3n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity of the compound was determined for recombinant human Alpha-2B adrenergic receptor using [3H]-rauwolscine as radioligand.


J Med Chem 41: 5320-33 (1999)


Article DOI: 10.1021/jm980506g
BindingDB Entry DOI: 10.7270/Q2R78DCS
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50068821
PNG
(1-(3-{[5-Carbamoyl-2,6-dimethyl-4-(4-nitro-phenyl)...)
Show SMILES COCCOC(=O)C1(CCN(CCCNC(=O)C2=C(C)N=C(C)C(C2c2ccc(cc2)[N+]([O-])=O)C(N)=O)CC1)c1ccccc1 |c:17,t:20|
Show InChI InChI=1S/C33H41N5O7/c1-22-27(30(34)39)29(24-10-12-26(13-11-24)38(42)43)28(23(2)36-22)31(40)35-16-7-17-37-18-14-33(15-19-37,25-8-5-4-6-9-25)32(41)45-21-20-44-3/h4-6,8-13,27,29H,7,14-21H2,1-3H3,(H2,34,39)(H,35,40)
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1.57E+3n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity was determined for the alpha-1B adrenergic receptor


J Med Chem 41: 5320-33 (1999)


Article DOI: 10.1021/jm980506g
BindingDB Entry DOI: 10.7270/Q2R78DCS
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50068829
PNG
(5-[3-(4-Methoxycarbonyl-4-phenyl-piperidin-1-yl)-p...)
Show SMILES COC(=O)C1(CCN(CCCNC(=O)C2=C(C)N=C(C)C(C2c2ccc(cc2)[N+]([O-])=O)C(=O)OCCO)CC1)c1ccccc1 |c:14,t:17|
Show InChI InChI=1S/C33H40N4O8/c1-22-27(29(24-10-12-26(13-11-24)37(42)43)28(23(2)35-22)31(40)45-21-20-38)30(39)34-16-7-17-36-18-14-33(15-19-36,32(41)44-3)25-8-5-4-6-9-25/h4-6,8-13,28-29,38H,7,14-21H2,1-3H3,(H,34,39)
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1.60E+3n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity was determined for the alpha-1B adrenergic receptor


J Med Chem 41: 5320-33 (1999)


Article DOI: 10.1021/jm980506g
BindingDB Entry DOI: 10.7270/Q2R78DCS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50068814
PNG
(1-{3-[(5-Acetyl-4-benzo[1,3]dioxol-5-yl-2,6-dimeth...)
Show SMILES COC(=O)C1(CCN(CCCNC(=O)C2=C(C)N=C(C)C(C2c2ccc3OCOc3c2)C(C)=O)CC1)c1ccccc1 |c:14,t:17|
Show InChI InChI=1S/C33H39N3O6/c1-21-28(23(3)37)30(24-11-12-26-27(19-24)42-20-41-26)29(22(2)35-21)31(38)34-15-8-16-36-17-13-33(14-18-36,32(39)40-4)25-9-6-5-7-10-25/h5-7,9-12,19,28,30H,8,13-18,20H2,1-4H3,(H,34,38)
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1.75E+3n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity was determined for the alpha-1D adrenergic receptor


J Med Chem 41: 5320-33 (1999)


Article DOI: 10.1021/jm980506g
BindingDB Entry DOI: 10.7270/Q2R78DCS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50068829
PNG
(5-[3-(4-Methoxycarbonyl-4-phenyl-piperidin-1-yl)-p...)
Show SMILES COC(=O)C1(CCN(CCCNC(=O)C2=C(C)N=C(C)C(C2c2ccc(cc2)[N+]([O-])=O)C(=O)OCCO)CC1)c1ccccc1 |c:14,t:17|
Show InChI InChI=1S/C33H40N4O8/c1-22-27(29(24-10-12-26(13-11-24)37(42)43)28(23(2)35-22)31(40)45-21-20-38)30(39)34-16-7-17-36-18-14-33(15-19-36,32(41)44-3)25-8-5-4-6-9-25/h4-6,8-13,28-29,38H,7,14-21H2,1-3H3,(H,34,39)
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1.85E+3n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity was determined for the alpha-1D adrenergic receptor


J Med Chem 41: 5320-33 (1999)


Article DOI: 10.1021/jm980506g
BindingDB Entry DOI: 10.7270/Q2R78DCS
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50068815
PNG
(2,6-Dimethyl-4-(4-nitro-phenyl)-1,4-dihydro-pyridi...)
Show SMILES CC1=NC(C)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(O)(CC1)c1ccccc1 |c:4,t:1|
Show InChI InChI=1S/C29H35N5O5/c1-19-24(27(30)35)26(21-9-11-23(12-10-21)34(38)39)25(20(2)32-19)28(36)31-15-6-16-33-17-13-29(37,14-18-33)22-7-4-3-5-8-22/h3-5,7-12,24,26,37H,6,13-18H2,1-2H3,(H2,30,35)(H,31,36)
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1.89E+3n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity was determined for the alpha-1B adrenergic receptor


J Med Chem 41: 5320-33 (1999)


Article DOI: 10.1021/jm980506g
BindingDB Entry DOI: 10.7270/Q2R78DCS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50068831
PNG
(1-(3-{[5-Acetyl-2,6-dimethyl-4-(4-nitro-phenyl)-1,...)
Show SMILES CCOC(=O)C1(CCN(CCCNC(=O)C2=C(C)N=C(C)C(C2c2ccc(cc2)[N+]([O-])=O)C(C)=O)CC1)c1ccccc1 |c:15,t:18|
Show InChI InChI=1S/C33H40N4O6/c1-5-43-32(40)33(26-10-7-6-8-11-26)16-20-36(21-17-33)19-9-18-34-31(39)29-23(3)35-22(2)28(24(4)38)30(29)25-12-14-27(15-13-25)37(41)42/h6-8,10-15,28,30H,5,9,16-21H2,1-4H3,(H,34,39)
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1.92E+3n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity was determined for the alpha-1D adrenergic receptor


J Med Chem 41: 5320-33 (1999)


Article DOI: 10.1021/jm980506g
BindingDB Entry DOI: 10.7270/Q2R78DCS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50068816
PNG
(2,6-Dimethyl-4-(4-nitro-phenyl)-1,4-dihydro-pyridi...)
Show SMILES CC1=NC(C)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(C)(CC1)c1ccccc1 |c:4,t:1|
Show InChI InChI=1S/C30H37N5O4/c1-20-25(28(31)36)27(22-10-12-24(13-11-22)35(38)39)26(21(2)33-20)29(37)32-16-7-17-34-18-14-30(3,15-19-34)23-8-5-4-6-9-23/h4-6,8-13,25,27H,7,14-19H2,1-3H3,(H2,31,36)(H,32,37)
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1.97E+3n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity was determined for the alpha-1D adrenergic receptor


J Med Chem 41: 5320-33 (1999)


Article DOI: 10.1021/jm980506g
BindingDB Entry DOI: 10.7270/Q2R78DCS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50068825
PNG
(1-(3-{[5-Acetyl-2,6-dimethyl-4-(4-nitro-phenyl)-1,...)
Show SMILES COC(=O)C1(CCN(CCCNC(=O)C2=C(C)N=C(C)C(C2c2ccc(cc2)[N+]([O-])=O)C(C)=O)CC1)c1ccccc1 |c:14,t:17|
Show InChI InChI=1S/C32H38N4O6/c1-21-27(23(3)37)29(24-11-13-26(14-12-24)36(40)41)28(22(2)34-21)30(38)33-17-8-18-35-19-15-32(16-20-35,31(39)42-4)25-9-6-5-7-10-25/h5-7,9-14,27,29H,8,15-20H2,1-4H3,(H,33,38)
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2.24E+3n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity was determined for the alpha-1D adrenergic receptor


J Med Chem 41: 5320-33 (1999)


Article DOI: 10.1021/jm980506g
BindingDB Entry DOI: 10.7270/Q2R78DCS
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50068818
PNG
(1-(3-{[2,6-Dimethyl-5-methylcarbamoyl-4-(4-nitro-p...)
Show SMILES CNC(=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/C32H39N5O6/c1-21-26(29(38)33-3)28(23-11-13-25(14-12-23)37(41)42)27(22(2)35-21)30(39)34-17-8-18-36-19-15-32(16-20-36,31(40)43-4)24-9-6-5-7-10-24/h5-7,9-14,26,28H,8,15-20H2,1-4H3,(H,33,38)(H,34,39)
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2.24E+3n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity of the compound was determined for recombinant human Alpha-2C adrenergic receptor using [3H]-rauwolscine as radioligand.


J Med Chem 41: 5320-33 (1999)


Article DOI: 10.1021/jm980506g
BindingDB Entry DOI: 10.7270/Q2R78DCS
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50068838
PNG
(1-(3-{[2,6-Dimethyl-5-methylcarbamoyl-4-(4-nitro-p...)
Show SMILES CCOC(=O)C1CCN(CCCNC(=O)C2=C(C)N=C(C)C(C2c2ccc(cc2)[N+]([O-])=O)C(=O)NC)CC1 |c:15,t:18|
Show InChI InChI=1S/C27H37N5O6/c1-5-38-27(35)20-11-15-31(16-12-20)14-6-13-29-26(34)23-18(3)30-17(2)22(25(33)28-4)24(23)19-7-9-21(10-8-19)32(36)37/h7-10,20,22,24H,5-6,11-16H2,1-4H3,(H,28,33)(H,29,34)
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2.51E+3n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity was determined for the alpha-1A adrenergic receptor


J Med Chem 41: 5320-33 (1999)


Article DOI: 10.1021/jm980506g
BindingDB Entry DOI: 10.7270/Q2R78DCS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (Human))
BDBM50068818
PNG
(1-(3-{[2,6-Dimethyl-5-methylcarbamoyl-4-(4-nitro-p...)
Show SMILES CNC(=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/C32H39N5O6/c1-21-26(29(38)33-3)28(23-11-13-25(14-12-23)37(41)42)27(22(2)35-21)30(39)34-17-8-18-36-19-15-32(16-20-36,31(40)43-4)24-9-6-5-7-10-24/h5-7,9-14,26,28H,8,15-20H2,1-4H3,(H,33,38)(H,34,39)
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2.65E+3n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity of the compound was determined for recombinant human 5-hydroxytryptamine 1B receptor using [3H]-5-HT as radioligand.


J Med Chem 41: 5320-33 (1999)


Article DOI: 10.1021/jm980506g
BindingDB Entry DOI: 10.7270/Q2R78DCS
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50068830
PNG
(1-(3-{[5-Carbamoyl-2,6-dimethyl-4-(4-nitro-phenyl)...)
Show SMILES CCOC(=O)C1(CCN(CCCNC(=O)C2=C(C)N=C(C)C(C2c2ccc(cc2)[N+]([O-])=O)C(N)=O)CC1)c1ccccc1 |c:15,t:18|
Show InChI InChI=1S/C32H39N5O6/c1-4-43-31(40)32(24-9-6-5-7-10-24)15-19-36(20-16-32)18-8-17-34-30(39)27-22(3)35-21(2)26(29(33)38)28(27)23-11-13-25(14-12-23)37(41)42/h5-7,9-14,26,28H,4,8,15-20H2,1-3H3,(H2,33,38)(H,34,39)
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2.72E+3n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity was determined for the alpha-1B adrenergic receptor


J Med Chem 41: 5320-33 (1999)


Article DOI: 10.1021/jm980506g
BindingDB Entry DOI: 10.7270/Q2R78DCS
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50068839
PNG
(1-(3-{[5-Carbamoyl-2,6-dimethyl-4-(4-nitro-phenyl)...)
Show SMILES COC(=O)C1(CCN(CCCNC(=O)C2=C(C)N=C(C)C(C2c2ccc(cc2)[N+]([O-])=O)C(N)=O)CC1)c1ccccc1 |c:14,t:17|
Show InChI InChI=1S/C31H37N5O6/c1-20-25(28(32)37)27(22-10-12-24(13-11-22)36(40)41)26(21(2)34-20)29(38)33-16-7-17-35-18-14-31(15-19-35,30(39)42-3)23-8-5-4-6-9-23/h4-6,8-13,25,27H,7,14-19H2,1-3H3,(H2,32,37)(H,33,38)
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2.74E+3n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity was determined for the alpha-1B adrenergic receptor


J Med Chem 41: 5320-33 (1999)


Article DOI: 10.1021/jm980506g
BindingDB Entry DOI: 10.7270/Q2R78DCS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50068836
PNG
(2,6-Dimethyl-4-(4-nitro-phenyl)-1,4-dihydro-pyridi...)
Show SMILES CC1=NC(C)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(C#N)c1ccccc1 |c:4,t:1|
Show InChI InChI=1S/C30H34N6O4/c1-20-25(28(32)37)27(22-9-11-24(12-10-22)36(39)40)26(21(2)34-20)29(38)33-15-6-16-35-17-13-30(19-31,14-18-35)23-7-4-3-5-8-23/h3-5,7-12,25,27H,6,13-18H2,1-2H3,(H2,32,37)(H,33,38)
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2.77E+3n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity was determined for the alpha-1D adrenergic receptor


J Med Chem 41: 5320-33 (1999)


Article DOI: 10.1021/jm980506g
BindingDB Entry DOI: 10.7270/Q2R78DCS
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50068833
PNG
(1-(3-{[5-Ethylcarbamoyl-2,6-dimethyl-4-(4-nitro-ph...)
Show SMILES CCNC(=O)C1C(C(C(=O)NCCCN2CCC(CC2)(C(=O)OC)c2ccccc2)=C(C)N=C1C)c1ccc(cc1)[N+]([O-])=O |c:34,t:31|
Show InChI InChI=1S/C33H41N5O6/c1-5-34-30(39)27-22(2)36-23(3)28(29(27)24-12-14-26(15-13-24)38(42)43)31(40)35-18-9-19-37-20-16-33(17-21-37,32(41)44-4)25-10-7-6-8-11-25/h6-8,10-15,27,29H,5,9,16-21H2,1-4H3,(H,34,39)(H,35,40)
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3.07E+3n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity was determined for the alpha-1B adrenergic receptor


J Med Chem 41: 5320-33 (1999)


Article DOI: 10.1021/jm980506g
BindingDB Entry DOI: 10.7270/Q2R78DCS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50068821
PNG
(1-(3-{[5-Carbamoyl-2,6-dimethyl-4-(4-nitro-phenyl)...)
Show SMILES COCCOC(=O)C1(CCN(CCCNC(=O)C2=C(C)N=C(C)C(C2c2ccc(cc2)[N+]([O-])=O)C(N)=O)CC1)c1ccccc1 |c:17,t:20|
Show InChI InChI=1S/C33H41N5O7/c1-22-27(30(34)39)29(24-10-12-26(13-11-24)38(42)43)28(23(2)36-22)31(40)35-16-7-17-37-18-14-33(15-19-37,25-8-5-4-6-9-25)32(41)45-21-20-44-3/h4-6,8-13,27,29H,7,14-21H2,1-3H3,(H2,34,39)(H,35,40)
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3.19E+3n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity was determined for the alpha-1D adrenergic receptor


J Med Chem 41: 5320-33 (1999)


Article DOI: 10.1021/jm980506g
BindingDB Entry DOI: 10.7270/Q2R78DCS
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50068840
PNG
(1-{3-[(4-Benzo[1,3]dioxol-5-yl-5-carbamoyl-2,6-dim...)
Show SMILES CCOC(=O)C1(CCN(CCCNC(=O)C2=C(C)N=C(C)C(C2c2ccc3OCOc3c2)C(N)=O)CC1)c1ccccc1 |c:15,t:18|
Show InChI InChI=1S/C33H40N4O6/c1-4-41-32(40)33(24-9-6-5-7-10-24)13-17-37(18-14-33)16-8-15-35-31(39)28-22(3)36-21(2)27(30(34)38)29(28)23-11-12-25-26(19-23)43-20-42-25/h5-7,9-12,19,27,29H,4,8,13-18,20H2,1-3H3,(H2,34,38)(H,35,39)
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3.41E+3n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity was determined for the alpha-1B adrenergic receptor


J Med Chem 41: 5320-33 (1999)


Article DOI: 10.1021/jm980506g
BindingDB Entry DOI: 10.7270/Q2R78DCS
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50068818
PNG
(1-(3-{[2,6-Dimethyl-5-methylcarbamoyl-4-(4-nitro-p...)
Show SMILES CNC(=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/C32H39N5O6/c1-21-26(29(38)33-3)28(23-11-13-25(14-12-23)37(41)42)27(22(2)35-21)30(39)34-17-8-18-36-19-15-32(16-20-36,31(40)43-4)24-9-6-5-7-10-24/h5-7,9-14,26,28H,8,15-20H2,1-4H3,(H,33,38)(H,34,39)
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3.66E+3n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity was determined for the alpha-1B adrenergic receptor


J Med Chem 41: 5320-33 (1999)


Article DOI: 10.1021/jm980506g
BindingDB Entry DOI: 10.7270/Q2R78DCS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50068817
PNG
(2,6-Dimethyl-4-(4-nitro-phenyl)-1,4-dihydro-pyridi...)
Show SMILES CC(=O)C1(CCN(CCCNC(=O)C2=C(C)N=C(C)C(C2c2ccc(cc2)[N+]([O-])=O)C(N)=O)CC1)c1ccccc1 |c:13,t:16|
Show InChI InChI=1S/C31H37N5O5/c1-20-26(29(32)38)28(23-10-12-25(13-11-23)36(40)41)27(21(2)34-20)30(39)33-16-7-17-35-18-14-31(15-19-35,22(3)37)24-8-5-4-6-9-24/h4-6,8-13,26,28H,7,14-19H2,1-3H3,(H2,32,38)(H,33,39)
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3.77E+3n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity was determined for the alpha-1D adrenergic receptor


J Med Chem 41: 5320-33 (1999)


Article DOI: 10.1021/jm980506g
BindingDB Entry DOI: 10.7270/Q2R78DCS
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50068820
PNG
(2,6-Dimethyl-4-(4-nitro-phenyl)-1,4-dihydro-pyridi...)
Show SMILES CNC(=O)C1C(C(C(=O)NCCCN2CCC(CN(C)C)(CC2)c2ccccc2)=C(C)N=C1C)c1ccc(cc1)[N+]([O-])=O |c:33,t:30|
Show InChI InChI=1S/C33H44N6O4/c1-23-28(31(40)34-3)30(25-12-14-27(15-13-25)39(42)43)29(24(2)36-23)32(41)35-18-9-19-38-20-16-33(17-21-38,22-37(4)5)26-10-7-6-8-11-26/h6-8,10-15,28,30H,9,16-22H2,1-5H3,(H,34,40)(H,35,41)
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3.77E+3n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity was determined for the alpha-1A adrenergic receptor


J Med Chem 41: 5320-33 (1999)


Article DOI: 10.1021/jm980506g
BindingDB Entry DOI: 10.7270/Q2R78DCS
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50068823
PNG
(1-(3-{[2,6-Dimethyl-5-methylcarbamoyl-4-(4-nitro-p...)
Show SMILES CCOC(=O)C1(CCN(CCCNC(=O)C2=C(C)N=C(C)C(C2c2ccc(cc2)[N+]([O-])=O)C(=O)NC)CC1)c1ccccc1 |c:15,t:18|
Show InChI InChI=1S/C33H41N5O6/c1-5-44-32(41)33(25-10-7-6-8-11-25)16-20-37(21-17-33)19-9-18-35-31(40)28-23(3)36-22(2)27(30(39)34-4)29(28)24-12-14-26(15-13-24)38(42)43/h6-8,10-15,27,29H,5,9,16-21H2,1-4H3,(H,34,39)(H,35,40)
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3.92E+3n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity was determined for the alpha-1B adrenergic receptor


J Med Chem 41: 5320-33 (1999)


Article DOI: 10.1021/jm980506g
BindingDB Entry DOI: 10.7270/Q2R78DCS
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50068826
PNG
(2,6-Dimethyl-4-(4-nitro-phenyl)-1,4-dihydro-pyridi...)
Show SMILES CC1=NC(C)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCCCC1 |c:4,t:1|
Show InChI InChI=1S/C23H31N5O4/c1-15-19(22(24)29)21(17-7-9-18(10-8-17)28(31)32)20(16(2)26-15)23(30)25-11-6-14-27-12-4-3-5-13-27/h7-10,19,21H,3-6,11-14H2,1-2H3,(H2,24,29)(H,25,30)
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4.33E+3n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity was determined for the alpha-1A adrenergic receptor


J Med Chem 41: 5320-33 (1999)


Article DOI: 10.1021/jm980506g
BindingDB Entry DOI: 10.7270/Q2R78DCS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50068839
PNG
(1-(3-{[5-Carbamoyl-2,6-dimethyl-4-(4-nitro-phenyl)...)
Show SMILES COC(=O)C1(CCN(CCCNC(=O)C2=C(C)N=C(C)C(C2c2ccc(cc2)[N+]([O-])=O)C(N)=O)CC1)c1ccccc1 |c:14,t:17|
Show InChI InChI=1S/C31H37N5O6/c1-20-25(28(32)37)27(22-10-12-24(13-11-22)36(40)41)26(21(2)34-20)29(38)33-16-7-17-35-18-14-31(15-19-35,30(39)42-3)23-8-5-4-6-9-23/h4-6,8-13,25,27H,7,14-19H2,1-3H3,(H2,32,37)(H,33,38)
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4.52E+3n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity was determined for the alpha-1D adrenergic receptor


J Med Chem 41: 5320-33 (1999)


Article DOI: 10.1021/jm980506g
BindingDB Entry DOI: 10.7270/Q2R78DCS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50068840
PNG
(1-{3-[(4-Benzo[1,3]dioxol-5-yl-5-carbamoyl-2,6-dim...)
Show SMILES CCOC(=O)C1(CCN(CCCNC(=O)C2=C(C)N=C(C)C(C2c2ccc3OCOc3c2)C(N)=O)CC1)c1ccccc1 |c:15,t:18|
Show InChI InChI=1S/C33H40N4O6/c1-4-41-32(40)33(24-9-6-5-7-10-24)13-17-37(18-14-33)16-8-15-35-31(39)28-22(3)36-21(2)27(30(34)38)29(28)23-11-12-25-26(19-23)43-20-42-25/h5-7,9-12,19,27,29H,4,8,13-18,20H2,1-3H3,(H2,34,38)(H,35,39)
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4.57E+3n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity was determined for the alpha-1D adrenergic receptor


J Med Chem 41: 5320-33 (1999)


Article DOI: 10.1021/jm980506g
BindingDB Entry DOI: 10.7270/Q2R78DCS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50068815
PNG
(2,6-Dimethyl-4-(4-nitro-phenyl)-1,4-dihydro-pyridi...)
Show SMILES CC1=NC(C)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(O)(CC1)c1ccccc1 |c:4,t:1|
Show InChI InChI=1S/C29H35N5O5/c1-19-24(27(30)35)26(21-9-11-23(12-10-21)34(38)39)25(20(2)32-19)28(36)31-15-6-16-33-17-13-29(37,14-18-33)22-7-4-3-5-8-22/h3-5,7-12,24,26,37H,6,13-18H2,1-2H3,(H2,30,35)(H,31,36)
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4.68E+3n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity was determined for the alpha-1D adrenergic receptor


J Med Chem 41: 5320-33 (1999)


Article DOI: 10.1021/jm980506g
BindingDB Entry DOI: 10.7270/Q2R78DCS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50068833
PNG
(1-(3-{[5-Ethylcarbamoyl-2,6-dimethyl-4-(4-nitro-ph...)
Show SMILES CCNC(=O)C1C(C(C(=O)NCCCN2CCC(CC2)(C(=O)OC)c2ccccc2)=C(C)N=C1C)c1ccc(cc1)[N+]([O-])=O |c:34,t:31|
Show InChI InChI=1S/C33H41N5O6/c1-5-34-30(39)27-22(2)36-23(3)28(29(27)24-12-14-26(15-13-24)38(42)43)31(40)35-18-9-19-37-20-16-33(17-21-37,32(41)44-4)25-10-7-6-8-11-25/h6-8,10-15,27,29H,5,9,16-21H2,1-4H3,(H,34,39)(H,35,40)
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4.82E+3n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity was determined for the alpha-1D adrenergic receptor


J Med Chem 41: 5320-33 (1999)


Article DOI: 10.1021/jm980506g
BindingDB Entry DOI: 10.7270/Q2R78DCS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50068830
PNG
(1-(3-{[5-Carbamoyl-2,6-dimethyl-4-(4-nitro-phenyl)...)
Show SMILES CCOC(=O)C1(CCN(CCCNC(=O)C2=C(C)N=C(C)C(C2c2ccc(cc2)[N+]([O-])=O)C(N)=O)CC1)c1ccccc1 |c:15,t:18|
Show InChI InChI=1S/C32H39N5O6/c1-4-43-31(40)32(24-9-6-5-7-10-24)15-19-36(20-16-32)18-8-17-34-30(39)27-22(3)35-21(2)26(29(33)38)28(27)23-11-13-25(14-12-23)37(41)42/h5-7,9-14,26,28H,4,8,15-20H2,1-3H3,(H2,33,38)(H,34,39)
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4.99E+3n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity was determined for the alpha-1D adrenergic receptor


J Med Chem 41: 5320-33 (1999)


Article DOI: 10.1021/jm980506g
BindingDB Entry DOI: 10.7270/Q2R78DCS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50068818
PNG
(1-(3-{[2,6-Dimethyl-5-methylcarbamoyl-4-(4-nitro-p...)
Show SMILES CNC(=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/C32H39N5O6/c1-21-26(29(38)33-3)28(23-11-13-25(14-12-23)37(41)42)27(22(2)35-21)30(39)34-17-8-18-36-19-15-32(16-20-36,31(40)43-4)24-9-6-5-7-10-24/h5-7,9-14,26,28H,8,15-20H2,1-4H3,(H,33,38)(H,34,39)
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>5.00E+3n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity of the compound was determined for recombinant human 5-hydroxytryptamine 1D receptor using [3H]-5-HT as radioligand.


J Med Chem 41: 5320-33 (1999)


Article DOI: 10.1021/jm980506g
BindingDB Entry DOI: 10.7270/Q2R78DCS
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50068817
PNG
(2,6-Dimethyl-4-(4-nitro-phenyl)-1,4-dihydro-pyridi...)
Show SMILES CC(=O)C1(CCN(CCCNC(=O)C2=C(C)N=C(C)C(C2c2ccc(cc2)[N+]([O-])=O)C(N)=O)CC1)c1ccccc1 |c:13,t:16|
Show InChI InChI=1S/C31H37N5O5/c1-20-26(29(32)38)28(23-10-12-25(13-11-23)36(40)41)27(21(2)34-20)30(39)33-16-7-17-35-18-14-31(15-19-35,22(3)37)24-8-5-4-6-9-24/h4-6,8-13,26,28H,7,14-19H2,1-3H3,(H2,32,38)(H,33,39)
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5.25E+3n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity was determined for the alpha-1B adrenergic receptor


J Med Chem 41: 5320-33 (1999)


Article DOI: 10.1021/jm980506g
BindingDB Entry DOI: 10.7270/Q2R78DCS
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50068837
PNG
(1-(3-{[5-Carbamoyl-2,6-dimethyl-4-(4-nitro-phenyl)...)
Show SMILES CC1=NC(C)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(C(=O)OCCO)c1ccccc1 |c:4,t:1|
Show InChI InChI=1S/C32H39N5O7/c1-21-26(29(33)39)28(23-9-11-25(12-10-23)37(42)43)27(22(2)35-21)30(40)34-15-6-16-36-17-13-32(14-18-36,31(41)44-20-19-38)24-7-4-3-5-8-24/h3-5,7-12,26,28,38H,6,13-20H2,1-2H3,(H2,33,39)(H,34,40)
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5.50E+3n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity was determined for the alpha-1B adrenergic receptor


J Med Chem 41: 5320-33 (1999)


Article DOI: 10.1021/jm980506g
BindingDB Entry DOI: 10.7270/Q2R78DCS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50068823
PNG
(1-(3-{[2,6-Dimethyl-5-methylcarbamoyl-4-(4-nitro-p...)
Show SMILES CCOC(=O)C1(CCN(CCCNC(=O)C2=C(C)N=C(C)C(C2c2ccc(cc2)[N+]([O-])=O)C(=O)NC)CC1)c1ccccc1 |c:15,t:18|
Show InChI InChI=1S/C33H41N5O6/c1-5-44-32(41)33(25-10-7-6-8-11-25)16-20-37(21-17-33)19-9-18-35-31(40)28-23(3)36-22(2)27(30(39)34-4)29(28)24-12-14-26(15-13-24)38(42)43/h6-8,10-15,27,29H,5,9,16-21H2,1-4H3,(H,34,39)(H,35,40)
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5.60E+3n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity was determined for the alpha-1D adrenergic receptor


J Med Chem 41: 5320-33 (1999)


Article DOI: 10.1021/jm980506g
BindingDB Entry DOI: 10.7270/Q2R78DCS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50068818
PNG
(1-(3-{[2,6-Dimethyl-5-methylcarbamoyl-4-(4-nitro-p...)
Show SMILES CNC(=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/C32H39N5O6/c1-21-26(29(38)33-3)28(23-11-13-25(14-12-23)37(41)42)27(22(2)35-21)30(39)34-17-8-18-36-19-15-32(16-20-36,31(40)43-4)24-9-6-5-7-10-24/h5-7,9-14,26,28H,8,15-20H2,1-4H3,(H,33,38)(H,34,39)
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8.84E+3n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity was determined for the alpha-1D adrenergic receptor


J Med Chem 41: 5320-33 (1999)


Article DOI: 10.1021/jm980506g
BindingDB Entry DOI: 10.7270/Q2R78DCS
More data for this
Ligand-Target Pair
Histamine H2 Receptor


(Homo sapiens (Human))
BDBM50068818
PNG
(1-(3-{[2,6-Dimethyl-5-methylcarbamoyl-4-(4-nitro-p...)
Show SMILES CNC(=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/C32H39N5O6/c1-21-26(29(38)33-3)28(23-11-13-25(14-12-23)37(41)42)27(22(2)35-21)30(39)34-17-8-18-36-19-15-32(16-20-36,31(40)43-4)24-9-6-5-7-10-24/h5-7,9-14,26,28H,8,15-20H2,1-4H3,(H,33,38)(H,34,39)
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>1.00E+4n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity of the compound was determined for recombinant human Histamine H2 receptor using [3H]-tiotidine as radioligand.


J Med Chem 41: 5320-33 (1999)


Article DOI: 10.1021/jm980506g
BindingDB Entry DOI: 10.7270/Q2R78DCS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50068837
PNG
(1-(3-{[5-Carbamoyl-2,6-dimethyl-4-(4-nitro-phenyl)...)
Show SMILES CC1=NC(C)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(C(=O)OCCO)c1ccccc1 |c:4,t:1|
Show InChI InChI=1S/C32H39N5O7/c1-21-26(29(33)39)28(23-9-11-25(12-10-23)37(42)43)27(22(2)35-21)30(40)34-15-6-16-36-17-13-32(14-18-36,31(41)44-20-19-38)24-7-4-3-5-8-24/h3-5,7-12,26,28,38H,6,13-20H2,1-2H3,(H2,33,39)(H,34,40)
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1.10E+4n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity was determined for the alpha-1D adrenergic receptor


J Med Chem 41: 5320-33 (1999)


Article DOI: 10.1021/jm980506g
BindingDB Entry DOI: 10.7270/Q2R78DCS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50068822
PNG
(2,6-Dimethyl-4-(4-nitro-phenyl)-1,4-dihydro-pyridi...)
Show SMILES CN(C)C(=O)C1(CCN(CCCNC(=O)C2=C(C)N=C(C)C(C2c2ccc(cc2)[N+]([O-])=O)C(N)=O)CC1)c1ccccc1 |c:15,t:18|
Show InChI InChI=1S/C32H40N6O5/c1-21-26(29(33)39)28(23-11-13-25(14-12-23)38(42)43)27(22(2)35-21)30(40)34-17-8-18-37-19-15-32(16-20-37,31(41)36(3)4)24-9-6-5-7-10-24/h5-7,9-14,26,28H,8,15-20H2,1-4H3,(H2,33,39)(H,34,40)
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1.86E+4n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity was determined for the alpha-1D adrenergic receptor


J Med Chem 41: 5320-33 (1999)


Article DOI: 10.1021/jm980506g
BindingDB Entry DOI: 10.7270/Q2R78DCS
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50068822
PNG
(2,6-Dimethyl-4-(4-nitro-phenyl)-1,4-dihydro-pyridi...)
Show SMILES CN(C)C(=O)C1(CCN(CCCNC(=O)C2=C(C)N=C(C)C(C2c2ccc(cc2)[N+]([O-])=O)C(N)=O)CC1)c1ccccc1 |c:15,t:18|
Show InChI InChI=1S/C32H40N6O5/c1-21-26(29(33)39)28(23-11-13-25(14-12-23)38(42)43)27(22(2)35-21)30(40)34-17-8-18-37-19-15-32(16-20-37,31(41)36(3)4)24-9-6-5-7-10-24/h5-7,9-14,26,28H,8,15-20H2,1-4H3,(H2,33,39)(H,34,40)
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2.44E+4n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity was determined for the alpha-1B adrenergic receptor


J Med Chem 41: 5320-33 (1999)


Article DOI: 10.1021/jm980506g
BindingDB Entry DOI: 10.7270/Q2R78DCS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50068834
PNG
(5-[3-(4-Methoxycarbonyl-4-phenyl-piperidin-1-yl)-p...)
Show SMILES COC(=O)C1(CCN(CCCNC(=O)C2=C(C)N=C(C)C(C2c2ccc(cc2)[N+]([O-])=O)C(O)=O)CC1)c1ccccc1 |c:14,t:17|
Show InChI InChI=1S/C31H36N4O7/c1-20-25(27(26(29(37)38)21(2)33-20)22-10-12-24(13-11-22)35(40)41)28(36)32-16-7-17-34-18-14-31(15-19-34,30(39)42-3)23-8-5-4-6-9-23/h4-6,8-13,26-27H,7,14-19H2,1-3H3,(H,32,36)(H,37,38)
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2.88E+4n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity was determined for the alpha-1D adrenergic receptor


J Med Chem 41: 5320-33 (1999)


Article DOI: 10.1021/jm980506g
BindingDB Entry DOI: 10.7270/Q2R78DCS
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50068834
PNG
(5-[3-(4-Methoxycarbonyl-4-phenyl-piperidin-1-yl)-p...)
Show SMILES COC(=O)C1(CCN(CCCNC(=O)C2=C(C)N=C(C)C(C2c2ccc(cc2)[N+]([O-])=O)C(O)=O)CC1)c1ccccc1 |c:14,t:17|
Show InChI InChI=1S/C31H36N4O7/c1-20-25(27(26(29(37)38)21(2)33-20)22-10-12-24(13-11-22)35(40)41)28(36)32-16-7-17-34-18-14-31(15-19-34,30(39)42-3)23-8-5-4-6-9-23/h4-6,8-13,26-27H,7,14-19H2,1-3H3,(H,32,36)(H,37,38)
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2.90E+4n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity was determined for the alpha-1B adrenergic receptor


J Med Chem 41: 5320-33 (1999)


Article DOI: 10.1021/jm980506g
BindingDB Entry DOI: 10.7270/Q2R78DCS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50068818
PNG
(1-(3-{[2,6-Dimethyl-5-methylcarbamoyl-4-(4-nitro-p...)
Show SMILES CNC(=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/C32H39N5O6/c1-21-26(29(38)33-3)28(23-11-13-25(14-12-23)37(41)42)27(22(2)35-21)30(39)34-17-8-18-36-19-15-32(16-20-36,31(40)43-4)24-9-6-5-7-10-24/h5-7,9-14,26,28H,8,15-20H2,1-4H3,(H,33,38)(H,34,39)
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>3.00E+4n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity of the compound was determined for recombinant human 5-hydroxytryptamine 2A receptor using [3H]-5-HT as radioligand.


J Med Chem 41: 5320-33 (1999)


Article DOI: 10.1021/jm980506g
BindingDB Entry DOI: 10.7270/Q2R78DCS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50068826
PNG
(2,6-Dimethyl-4-(4-nitro-phenyl)-1,4-dihydro-pyridi...)
Show SMILES CC1=NC(C)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCCCC1 |c:4,t:1|
Show InChI InChI=1S/C23H31N5O4/c1-15-19(22(24)29)21(17-7-9-18(10-8-17)28(31)32)20(16(2)26-15)23(30)25-11-6-14-27-12-4-3-5-13-27/h7-10,19,21H,3-6,11-14H2,1-2H3,(H2,24,29)(H,25,30)
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3.07E+4n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity was determined for the alpha-1D adrenergic receptor


J Med Chem 41: 5320-33 (1999)


Article DOI: 10.1021/jm980506g
BindingDB Entry DOI: 10.7270/Q2R78DCS
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50068838
PNG
(1-(3-{[2,6-Dimethyl-5-methylcarbamoyl-4-(4-nitro-p...)
Show SMILES CCOC(=O)C1CCN(CCCNC(=O)C2=C(C)N=C(C)C(C2c2ccc(cc2)[N+]([O-])=O)C(=O)NC)CC1 |c:15,t:18|
Show InChI InChI=1S/C27H37N5O6/c1-5-38-27(35)20-11-15-31(16-12-20)14-6-13-29-26(34)23-18(3)30-17(2)22(25(33)28-4)24(23)19-7-9-21(10-8-19)32(36)37/h7-10,20,22,24H,5-6,11-16H2,1-4H3,(H,28,33)(H,29,34)
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3.95E+4n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity was determined for the alpha-1B adrenergic receptor


J Med Chem 41: 5320-33 (1999)


Article DOI: 10.1021/jm980506g
BindingDB Entry DOI: 10.7270/Q2R78DCS
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50068826
PNG
(2,6-Dimethyl-4-(4-nitro-phenyl)-1,4-dihydro-pyridi...)
Show SMILES CC1=NC(C)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCCCC1 |c:4,t:1|
Show InChI InChI=1S/C23H31N5O4/c1-15-19(22(24)29)21(17-7-9-18(10-8-17)28(31)32)20(16(2)26-15)23(30)25-11-6-14-27-12-4-3-5-13-27/h7-10,19,21H,3-6,11-14H2,1-2H3,(H2,24,29)(H,25,30)
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3.95E+4n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity was determined for the alpha-1B adrenergic receptor


J Med Chem 41: 5320-33 (1999)


Article DOI: 10.1021/jm980506g
BindingDB Entry DOI: 10.7270/Q2R78DCS
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50068820
PNG
(2,6-Dimethyl-4-(4-nitro-phenyl)-1,4-dihydro-pyridi...)
Show SMILES CNC(=O)C1C(C(C(=O)NCCCN2CCC(CN(C)C)(CC2)c2ccccc2)=C(C)N=C1C)c1ccc(cc1)[N+]([O-])=O |c:33,t:30|
Show InChI InChI=1S/C33H44N6O4/c1-23-28(31(40)34-3)30(25-12-14-27(15-13-25)39(42)43)29(24(2)36-23)32(41)35-18-9-19-38-20-16-33(17-21-38,22-37(4)5)26-10-7-6-8-11-26/h6-8,10-15,28,30H,9,16-22H2,1-5H3,(H,34,40)(H,35,41)
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4.50E+4n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity was determined for the alpha-1B adrenergic receptor


J Med Chem 41: 5320-33 (1999)


Article DOI: 10.1021/jm980506g
BindingDB Entry DOI: 10.7270/Q2R78DCS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50068838
PNG
(1-(3-{[2,6-Dimethyl-5-methylcarbamoyl-4-(4-nitro-p...)
Show SMILES CCOC(=O)C1CCN(CCCNC(=O)C2=C(C)N=C(C)C(C2c2ccc(cc2)[N+]([O-])=O)C(=O)NC)CC1 |c:15,t:18|
Show InChI InChI=1S/C27H37N5O6/c1-5-38-27(35)20-11-15-31(16-12-20)14-6-13-29-26(34)23-18(3)30-17(2)22(25(33)28-4)24(23)19-7-9-21(10-8-19)32(36)37/h7-10,20,22,24H,5-6,11-16H2,1-4H3,(H,28,33)(H,29,34)
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4.50E+4n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity was determined for the alpha-1D adrenergic receptor


J Med Chem 41: 5320-33 (1999)


Article DOI: 10.1021/jm980506g
BindingDB Entry DOI: 10.7270/Q2R78DCS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50068820
PNG
(2,6-Dimethyl-4-(4-nitro-phenyl)-1,4-dihydro-pyridi...)
Show SMILES CNC(=O)C1C(C(C(=O)NCCCN2CCC(CN(C)C)(CC2)c2ccccc2)=C(C)N=C1C)c1ccc(cc1)[N+]([O-])=O |c:33,t:30|
Show InChI InChI=1S/C33H44N6O4/c1-23-28(31(40)34-3)30(25-12-14-27(15-13-25)39(42)43)29(24(2)36-23)32(41)35-18-9-19-38-20-16-33(17-21-38,22-37(4)5)26-10-7-6-8-11-26/h6-8,10-15,28,30H,9,16-22H2,1-5H3,(H,34,40)(H,35,41)
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5.13E+4n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity was determined for the alpha-1D adrenergic receptor


J Med Chem 41: 5320-33 (1999)


Article DOI: 10.1021/jm980506g
BindingDB Entry DOI: 10.7270/Q2R78DCS
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%