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Compile Data Set for Download or QSAR

Found 323 hits with Last Name = 'vyas' and Initial = 'kp'   
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))		BDBM50082842
PNG
(4-(3,4-Difluoro-phenyl)-6-methyl-3-{3-[4-(2-nitro-...)
Show SMILES COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCN(CC1)c1ccccc1[N+]([O-])=O |c:4|
Show InChI InChI=1S/C27H30F2N6O6/c1-17-23(25(36)41-2)24(18-8-9-19(28)20(29)16-18)34(27(38)31-17)26(37)30-10-5-11-32-12-14-33(15-13-32)21-6-3-4-7-22(21)35(39)40/h3-4,6-9,16,24H,5,10-15H2,1-2H3,(H,30,37)(H,31,38)
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 0.0100n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


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

J Med Chem 42: 4794-803 (1999)


BindingDB Entry DOI: 10.7270/Q25B01P0
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM50082839
PNG
(4-(3,4-Difluoro-phenyl)-6-methyl-3-{3-[(S)-2-methy...)
Show SMILES COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCN(C[C@@H]1C)c1ccccc1[N+]([O-])=O |c:4|
Show InChI InChI=1S/C28H32F2N6O6/c1-17-16-34(22-7-4-5-8-23(22)36(40)41)14-13-33(17)12-6-11-31-27(38)35-25(19-9-10-20(29)21(30)15-19)24(26(37)42-3)18(2)32-28(35)39/h4-5,7-10,15,17,25H,6,11-14,16H2,1-3H3,(H,31,38)(H,32,39)/t17-,25?/m0/s1
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 0.0200n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


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

J Med Chem 42: 4794-803 (1999)


BindingDB Entry DOI: 10.7270/Q25B01P0
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM50082851
PNG
(4-(3,4-Difluoro-phenyl)-6-methyl-3-{3-[(R)-2-methy...)
Show SMILES COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCN(C[C@H]1C)c1ccccc1[N+]([O-])=O |c:4|
Show InChI InChI=1S/C28H32F2N6O6/c1-17-16-34(22-7-4-5-8-23(22)36(40)41)14-13-33(17)12-6-11-31-27(38)35-25(19-9-10-20(29)21(30)15-19)24(26(37)42-3)18(2)32-28(35)39/h4-5,7-10,15,17,25H,6,11-14,16H2,1-3H3,(H,31,38)(H,32,39)/t17-,25?/m1/s1
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 0.0500n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


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

J Med Chem 42: 4794-803 (1999)


BindingDB Entry DOI: 10.7270/Q25B01P0
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM50082811
PNG
(3-{3-[4-Cyano-4-(4-fluoro-phenyl)-piperidin-1-yl]-...)
Show SMILES COCC1=C(C(N(C(=O)NCCCN2CCC(CC2)(C#N)c2ccc(F)cc2)C(=O)N1)c1ccc(F)c(F)c1)C(=O)OC |t:3|
Show InChI InChI=1S/C30H32F3N5O5/c1-42-17-24-25(27(39)43-2)26(19-4-9-22(32)23(33)16-19)38(29(41)36-24)28(40)35-12-3-13-37-14-10-30(18-34,11-15-37)20-5-7-21(31)8-6-20/h4-9,16,26H,3,10-15,17H2,1-2H3,(H,35,40)(H,36,41)
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 0.0600n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


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

J Med Chem 42: 4778-93 (1999)


BindingDB Entry DOI: 10.7270/Q2930SCW
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM50082827
PNG
(4-(3,4-Difluoro-phenyl)-6-methyl-2-oxo-3-[3-(4-o-t...)
Show SMILES COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)(c1ccc(C)cc1)c1ccccc1C |c:4|
Show InChI InChI=1S/C36H40F2N4O4/c1-23-10-13-27(14-11-23)36(28-9-6-5-8-24(28)2)16-20-41(21-17-36)19-7-18-39-34(44)42-32(26-12-15-29(37)30(38)22-26)31(33(43)46-4)25(3)40-35(42)45/h5-6,8-15,22,32H,7,16-21H2,1-4H3,(H,39,44)(H,40,45)
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 0.0600n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


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

J Med Chem 42: 4778-93 (1999)


BindingDB Entry DOI: 10.7270/Q2930SCW
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM50082797
PNG
(4-(3,4-Difluoro-phenyl)-3-[3-(4-methoxycarbonyl-4-...)
Show SMILES COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)(C(=O)OC)c1ccccc1 |c:4|
Show InChI InChI=1S/C30H34F2N4O6/c1-19-24(26(37)41-2)25(20-10-11-22(31)23(32)18-20)36(29(40)34-19)28(39)33-14-7-15-35-16-12-30(13-17-35,27(38)42-3)21-8-5-4-6-9-21/h4-6,8-11,18,25H,7,12-17H2,1-3H3,(H,33,39)(H,34,40)
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 0.100n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


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

J Med Chem 42: 4778-93 (1999)


BindingDB Entry DOI: 10.7270/Q2930SCW
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM50082880
PNG
(6-(3,4-Difluoro-phenyl)-2,4-dimethyl-1-[5-(4-o-tol...)
Show SMILES COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(CC2)(c2ccc(C)cc2)c2ccccc2C)C1c1ccc(F)c(F)c1 |c:4,t:7|
Show InChI InChI=1S/C38H45F2N3O2/c1-26-13-16-31(17-14-26)38(32-12-8-7-11-27(32)2)19-23-42(24-20-38)21-9-6-10-22-43-29(4)41-28(3)35(37(44)45-5)36(43)30-15-18-33(39)34(40)25-30/h7-8,11-18,25,36H,6,9-10,19-24H2,1-5H3
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 0.100n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against Alpha-1A adrenergic receptor (recombinant human receptor) using [3H]prazosin.

J Med Chem 42: 4804-13 (1999)


BindingDB Entry DOI: 10.7270/Q2RJ4K5R
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM50082825
PNG
(4-(3,4-Difluoro-phenyl)-3-[5-(4-methoxycarbonyl-4-...)
Show SMILES COC(=O)C1C(N(CCCCCN2CCC(CC2)(C(=O)OC)c2ccccc2)C(=O)N=C1C)c1ccc(F)c(F)c1 |c:32|
Show InChI InChI=1S/C31H37F2N3O5/c1-21-26(28(37)40-2)27(22-12-13-24(32)25(33)20-22)36(30(39)34-21)17-9-5-8-16-35-18-14-31(15-19-35,29(38)41-3)23-10-6-4-7-11-23/h4,6-7,10-13,20,26-27H,5,8-9,14-19H2,1-3H3
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 0.100n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against Alpha-1A adrenergic receptor (recombinant human receptor) using [3H]prazosin.

J Med Chem 42: 4804-13 (1999)


BindingDB Entry DOI: 10.7270/Q2RJ4K5R
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM50082858
PNG
(3-{3-[4-(2-Carbamoyl-phenyl)-piperazin-1-yl]-propy...)
Show SMILES CCC1=C(C(N(C(=O)NCCCN2CCN(CC2)c2ccccc2C(N)=O)C(=O)N1)c1ccc(F)cc1F)C(=O)OC |t:2|
Show InChI InChI=1S/C29H34F2N6O5/c1-3-22-24(27(39)42-2)25(19-10-9-18(30)17-21(19)31)37(29(41)34-22)28(40)33-11-6-12-35-13-15-36(16-14-35)23-8-5-4-7-20(23)26(32)38/h4-5,7-10,17,25H,3,6,11-16H2,1-2H3,(H2,32,38)(H,33,40)(H,34,41)
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 0.100n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


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

J Med Chem 42: 4794-803 (1999)


BindingDB Entry DOI: 10.7270/Q25B01P0
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM50082845
PNG
(3-{3-[4-(2-Cyano-phenyl)-piperazin-1-yl]-propylcar...)
Show SMILES COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCN(CC1)c1ccccc1C#N |c:4|
Show InChI InChI=1S/C28H30F2N6O4/c1-18-24(26(37)40-2)25(19-8-9-21(29)22(30)16-19)36(28(39)33-18)27(38)32-10-5-11-34-12-14-35(15-13-34)23-7-4-3-6-20(23)17-31/h3-4,6-9,16,25H,5,10-15H2,1-2H3,(H,32,38)(H,33,39)
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 0.100n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


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

J Med Chem 42: 4794-803 (1999)


BindingDB Entry DOI: 10.7270/Q25B01P0
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM50082856
PNG
(3-{3-[4-(2-Carbamoyl-phenyl)-piperazin-1-yl]-propy...)
Show SMILES COCC1=C(C(N(C(=O)NCCCN2CCN(CC2)c2ccccc2C(N)=O)C(=O)N1)c1ccc(F)c(F)c1)C(=O)OC |t:3|
Show InChI InChI=1S/C29H34F2N6O6/c1-42-17-22-24(27(39)43-2)25(18-8-9-20(30)21(31)16-18)37(29(41)34-22)28(40)33-10-5-11-35-12-14-36(15-13-35)23-7-4-3-6-19(23)26(32)38/h3-4,6-9,16,25H,5,10-15,17H2,1-2H3,(H2,32,38)(H,33,40)(H,34,41)
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 0.100n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


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

J Med Chem 42: 4794-803 (1999)


BindingDB Entry DOI: 10.7270/Q25B01P0
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM50082857
PNG
(4-(3,4-Difluoro-phenyl)-3-{3-[4-(2-ethoxy-phenyl)-...)
Show SMILES CCOc1ccccc1N1CCN(CCCNC(=O)N2C(C(C(=O)OC)=C(C)NC2=O)c2ccc(F)c(F)c2)CC1 |t:26|
Show InChI InChI=1S/C29H35F2N5O5/c1-4-41-24-9-6-5-8-23(24)35-16-14-34(15-17-35)13-7-12-32-28(38)36-26(20-10-11-21(30)22(31)18-20)25(27(37)40-3)19(2)33-29(36)39/h5-6,8-11,18,26H,4,7,12-17H2,1-3H3,(H,32,38)(H,33,39)
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 0.100n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


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

J Med Chem 42: 4794-803 (1999)


BindingDB Entry DOI: 10.7270/Q25B01P0
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM50082852
PNG
(4-(3,4-Difluoro-phenyl)-3-{3-[4-(2-methoxy-phenyl)...)
Show SMILES COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCN(CC1)c1ccccc1OC |c:4|
Show InChI InChI=1S/C28H33F2N5O5/c1-18-24(26(36)40-3)25(19-9-10-20(29)21(30)17-19)35(28(38)32-18)27(37)31-11-6-12-33-13-15-34(16-14-33)22-7-4-5-8-23(22)39-2/h4-5,7-10,17,25H,6,11-16H2,1-3H3,(H,31,37)(H,32,38)
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 0.100n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


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

J Med Chem 42: 4794-803 (1999)


BindingDB Entry DOI: 10.7270/Q25B01P0
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM50082845
PNG
(3-{3-[4-(2-Cyano-phenyl)-piperazin-1-yl]-propylcar...)
Show SMILES COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCN(CC1)c1ccccc1C#N |c:4|
Show InChI InChI=1S/C28H30F2N6O4/c1-18-24(26(37)40-2)25(19-8-9-21(29)22(30)16-19)36(28(39)33-18)27(38)32-10-5-11-34-12-14-35(15-13-34)23-7-4-3-6-20(23)17-31/h3-4,6-9,16,25H,5,10-15H2,1-2H3,(H,32,38)(H,33,39)
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 0.100n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


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

J Med Chem 42: 4794-803 (1999)


BindingDB Entry DOI: 10.7270/Q25B01P0
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM50082837
PNG
(3-{3-[4-(2-Carbamoyl-phenyl)-piperazin-1-yl]-propy...)
Show SMILES COCC1=C(C(N(C(=O)NCCCN2CCN(CC2)c2ccccc2C(N)=O)C(=O)N1)c1cc(F)c(F)cc1F)C(=O)OC |t:3|
Show InChI InChI=1S/C29H33F3N6O6/c1-43-16-22-24(27(40)44-2)25(18-14-20(31)21(32)15-19(18)30)38(29(42)35-22)28(41)34-8-5-9-36-10-12-37(13-11-36)23-7-4-3-6-17(23)26(33)39/h3-4,6-7,14-15,25H,5,8-13,16H2,1-2H3,(H2,33,39)(H,34,41)(H,35,42)
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 0.100n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


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

J Med Chem 42: 4794-803 (1999)


BindingDB Entry DOI: 10.7270/Q25B01P0
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM50082825
PNG
(4-(3,4-Difluoro-phenyl)-3-[5-(4-methoxycarbonyl-4-...)
Show SMILES COC(=O)C1C(N(CCCCCN2CCC(CC2)(C(=O)OC)c2ccccc2)C(=O)N=C1C)c1ccc(F)c(F)c1 |c:32|
Show InChI InChI=1S/C31H37F2N3O5/c1-21-26(28(37)40-2)27(22-12-13-24(32)25(33)20-22)36(30(39)34-21)17-9-5-8-16-35-18-14-31(15-19-35,29(38)41-3)23-10-6-4-7-11-23/h4,6-7,10-13,20,26-27H,5,8-9,14-19H2,1-3H3
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 0.100n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


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

J Med Chem 42: 4778-93 (1999)


BindingDB Entry DOI: 10.7270/Q2930SCW
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM50082810
PNG
(3-[3-(4-Cyano-4-phenyl-piperidin-1-yl)-propylcarba...)
Show SMILES COCC1=C(C(N(C(=O)NCCCN2CCC(CC2)(C#N)c2ccccc2)C(=O)N1)c1ccc(F)c(F)c1)C(=O)OC |t:3|
Show InChI InChI=1S/C30H33F2N5O5/c1-41-18-24-25(27(38)42-2)26(20-9-10-22(31)23(32)17-20)37(29(40)35-24)28(39)34-13-6-14-36-15-11-30(19-33,12-16-36)21-7-4-3-5-8-21/h3-5,7-10,17,26H,6,11-16,18H2,1-2H3,(H,34,39)(H,35,40)
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 0.100n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


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

J Med Chem 42: 4778-93 (1999)


BindingDB Entry DOI: 10.7270/Q2930SCW
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM50082841
PNG
(3-{3-[4-(2-Carbamoyl-phenyl)-piperazin-1-yl]-propy...)
Show SMILES COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCN(CC1)c1ccccc1C(N)=O |c:4|
Show InChI InChI=1S/C28H32F2N6O5/c1-17-23(26(38)41-2)24(18-8-9-20(29)21(30)16-18)36(28(40)33-17)27(39)32-10-5-11-34-12-14-35(15-13-34)22-7-4-3-6-19(22)25(31)37/h3-4,6-9,16,24H,5,10-15H2,1-2H3,(H2,31,37)(H,32,39)(H,33,40)
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 0.120n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


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

J Med Chem 42: 4794-803 (1999)


BindingDB Entry DOI: 10.7270/Q25B01P0
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM50082841
PNG
(3-{3-[4-(2-Carbamoyl-phenyl)-piperazin-1-yl]-propy...)
Show SMILES COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCN(CC1)c1ccccc1C(N)=O |c:4|
Show InChI InChI=1S/C28H32F2N6O5/c1-17-23(26(38)41-2)24(18-8-9-20(29)21(30)16-18)36(28(40)33-17)27(39)32-10-5-11-34-12-14-35(15-13-34)22-7-4-3-6-19(22)25(31)37/h3-4,6-9,16,24H,5,10-15H2,1-2H3,(H2,31,37)(H,32,39)(H,33,40)
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 0.120n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


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

J Med Chem 42: 4794-803 (1999)


BindingDB Entry DOI: 10.7270/Q25B01P0
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM50082794
PNG
(1-(3-{[5-Carbamoyl-6-(2,4-difluoro-phenyl)-4-ethyl...)
Show SMILES CCC1=C(C(N(C(=O)NCCCN2CCC(CC2)(C(=O)OC)c2ccccc2)C(=O)N1)c1ccc(F)cc1F)C(N)=O |t:2|
Show InChI InChI=1S/C30H35F2N5O5/c1-3-23-24(26(33)38)25(21-11-10-20(31)18-22(21)32)37(29(41)35-23)28(40)34-14-7-15-36-16-12-30(13-17-36,27(39)42-2)19-8-5-4-6-9-19/h4-6,8-11,18,25H,3,7,12-17H2,1-2H3,(H2,33,38)(H,34,40)(H,35,41)
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 0.200n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


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

J Med Chem 42: 4778-93 (1999)


BindingDB Entry DOI: 10.7270/Q2930SCW
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM50082861
PNG
(3-{3-[4-(2-Chloro-phenyl)-piperazin-1-yl]-propylca...)
Show SMILES COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCN(CC1)c1ccccc1Cl |c:4|
Show InChI InChI=1S/C27H30ClF2N5O4/c1-17-23(25(36)39-2)24(18-8-9-20(29)21(30)16-18)35(27(38)32-17)26(37)31-10-5-11-33-12-14-34(15-13-33)22-7-4-3-6-19(22)28/h3-4,6-9,16,24H,5,10-15H2,1-2H3,(H,31,37)(H,32,38)
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 0.200n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


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

J Med Chem 42: 4794-803 (1999)


BindingDB Entry DOI: 10.7270/Q25B01P0
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM50082840
PNG
(4-(3,4-Difluoro-phenyl)-6-methyl-2-oxo-3-[3-(4-phe...)
Show SMILES COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCN(CC1)c1ccccc1 |c:4|
Show InChI InChI=1S/C27H31F2N5O4/c1-18-23(25(35)38-2)24(19-9-10-21(28)22(29)17-19)34(27(37)31-18)26(36)30-11-6-12-32-13-15-33(16-14-32)20-7-4-3-5-8-20/h3-5,7-10,17,24H,6,11-16H2,1-2H3,(H,30,36)(H,31,37)
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 0.200n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


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

J Med Chem 42: 4794-803 (1999)


BindingDB Entry DOI: 10.7270/Q25B01P0
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM50082813
PNG
(4-(3,4-Difluoro-phenyl)-3-{[2-(4-methoxycarbonyl-4...)
Show SMILES COC(=O)C1C(N(CC(=O)NCCN2CCC(CC2)(C(=O)OC)c2ccccc2)C(=O)N=C1C)c1ccc(F)c(F)c1 |c:33|
Show InChI InChI=1S/C30H34F2N4O6/c1-19-25(27(38)41-2)26(20-9-10-22(31)23(32)17-20)36(29(40)34-19)18-24(37)33-13-16-35-14-11-30(12-15-35,28(39)42-3)21-7-5-4-6-8-21/h4-10,17,25-26H,11-16,18H2,1-3H3,(H,33,37)
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 0.200n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


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

J Med Chem 42: 4778-93 (1999)


BindingDB Entry DOI: 10.7270/Q2930SCW
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM50082847
PNG
(4-(3,4-Difluoro-phenyl)-3-{3-[4-(2-methoxycarbonyl...)
Show SMILES COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCN(CC1)c1ccccc1C(=O)OC |c:4|
Show InChI InChI=1S/C29H33F2N5O6/c1-18-24(27(38)42-3)25(19-9-10-21(30)22(31)17-19)36(29(40)33-18)28(39)32-11-6-12-34-13-15-35(16-14-34)23-8-5-4-7-20(23)26(37)41-2/h4-5,7-10,17,25H,6,11-16H2,1-3H3,(H,32,39)(H,33,40)
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 0.200n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


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

J Med Chem 42: 4794-803 (1999)


BindingDB Entry DOI: 10.7270/Q25B01P0
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM50082784
PNG
(1-(3-{[5-Carbamoyl-6-(3,4-difluoro-phenyl)-4-ethyl...)
Show SMILES CCC1=C(C(N(C(=O)NCCCN2CCC(CC2)(C(=O)OC)c2ccccc2)C(=O)N1)c1ccc(F)c(F)c1)C(N)=O |t:2|
Show InChI InChI=1S/C30H35F2N5O5/c1-3-23-24(26(33)38)25(19-10-11-21(31)22(32)18-19)37(29(41)35-23)28(40)34-14-7-15-36-16-12-30(13-17-36,27(39)42-2)20-8-5-4-6-9-20/h4-6,8-11,18,25H,3,7,12-17H2,1-2H3,(H2,33,38)(H,34,40)(H,35,41)
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 0.200n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


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

J Med Chem 42: 4778-93 (1999)


BindingDB Entry DOI: 10.7270/Q2930SCW
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM50082812
PNG
(3-{3-[4-Cyano-4-(3-fluoro-phenyl)-piperidin-1-yl]-...)
Show SMILES COCC1=C(C(N(C(=O)NCCCN2CCC(CC2)(C#N)c2cccc(F)c2)C(=O)N1)c1ccc(F)c(F)c1)C(=O)OC |t:3|
Show InChI InChI=1S/C30H32F3N5O5/c1-42-17-24-25(27(39)43-2)26(19-7-8-22(32)23(33)15-19)38(29(41)36-24)28(40)35-11-4-12-37-13-9-30(18-34,10-14-37)20-5-3-6-21(31)16-20/h3,5-8,15-16,26H,4,9-14,17H2,1-2H3,(H,35,40)(H,36,41)
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 0.200n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


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

J Med Chem 42: 4778-93 (1999)


BindingDB Entry DOI: 10.7270/Q2930SCW
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM50082814
PNG
(CHEMBL358785 | methyl 4-(3,4-difluorophenyl)-6-met...)
Show SMILES COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCC2(CC1)OC(=O)Cc1ccccc21 |c:4|
Show InChI InChI=1S/C30H32F2N4O6/c1-18-25(27(38)41-2)26(20-8-9-22(31)23(32)16-20)36(29(40)34-18)28(39)33-12-5-13-35-14-10-30(11-15-35)21-7-4-3-6-19(21)17-24(37)42-30/h3-4,6-9,16,26H,5,10-15,17H2,1-2H3,(H,33,39)(H,34,40)
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 0.200n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


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

J Med Chem 42: 4778-93 (1999)


BindingDB Entry DOI: 10.7270/Q2930SCW
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM50082819
PNG
(4-(3,4-Difluoro-phenyl)-6-methyl-2-oxo-3-[3-(4-phe...)
Show SMILES COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)c1ccccc1 |c:4|
Show InChI InChI=1S/C28H32F2N4O4/c1-18-24(26(35)38-2)25(21-9-10-22(29)23(30)17-21)34(28(37)32-18)27(36)31-13-6-14-33-15-11-20(12-16-33)19-7-4-3-5-8-19/h3-5,7-10,17,20,25H,6,11-16H2,1-2H3,(H,31,36)(H,32,37)
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 0.200n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


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

J Med Chem 42: 4778-93 (1999)


BindingDB Entry DOI: 10.7270/Q2930SCW
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM50082821
PNG
(CHEMBL359012 | methyl 4-(3,4-difluorophenyl)-6-met...)
Show SMILES COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCC2(CC1)OCCc1ccccc21 |c:4|
Show InChI InChI=1S/C30H34F2N4O5/c1-19-25(27(37)40-2)26(21-8-9-23(31)24(32)18-21)36(29(39)34-19)28(38)33-13-5-14-35-15-11-30(12-16-35)22-7-4-3-6-20(22)10-17-41-30/h3-4,6-9,18,26H,5,10-17H2,1-2H3,(H,33,38)(H,34,39)
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 0.200n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


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

J Med Chem 42: 4778-93 (1999)


BindingDB Entry DOI: 10.7270/Q2930SCW
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM50082835
PNG
(3-{3-[4,4-Bis-(4-fluoro-phenyl)-piperidin-1-yl]-pr...)
Show SMILES COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)(c1ccc(F)cc1)c1ccc(F)cc1 |c:4|
Show InChI InChI=1S/C34H34F4N4O4/c1-21-29(31(43)46-2)30(22-4-13-27(37)28(38)20-22)42(33(45)40-21)32(44)39-16-3-17-41-18-14-34(15-19-41,23-5-9-25(35)10-6-23)24-7-11-26(36)12-8-24/h4-13,20,30H,3,14-19H2,1-2H3,(H,39,44)(H,40,45)
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 0.200n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


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

J Med Chem 42: 4778-93 (1999)


BindingDB Entry DOI: 10.7270/Q2930SCW
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM50082784
PNG
(1-(3-{[5-Carbamoyl-6-(3,4-difluoro-phenyl)-4-ethyl...)
Show SMILES CCC1=C(C(N(C(=O)NCCCN2CCC(CC2)(C(=O)OC)c2ccccc2)C(=O)N1)c1ccc(F)c(F)c1)C(N)=O |t:2|
Show InChI InChI=1S/C30H35F2N5O5/c1-3-23-24(26(33)38)25(19-10-11-21(31)22(32)18-19)37(29(41)35-23)28(40)34-14-7-15-36-16-12-30(13-17-36,27(39)42-2)20-8-5-4-6-9-20/h4-6,8-11,18,25H,3,7,12-17H2,1-2H3,(H2,33,38)(H,34,40)(H,35,41)
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 0.200n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


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

J Med Chem 42: 4794-803 (1999)


BindingDB Entry DOI: 10.7270/Q25B01P0
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM50366618
PNG
(CHEMBL448620 | SNAP-5089)
Show SMILES COC(=O)C1C(C(C(=O)NCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)=C(C)N=C1C)c1ccc(cc1)[N+]([O-])=O |c:36,t:33|
Show InChI InChI=1S/C36H40N4O5/c1-25-31(33(32(26(2)38-25)35(42)45-3)27-15-17-30(18-16-27)40(43)44)34(41)37-21-10-22-39-23-19-36(20-24-39,28-11-6-4-7-12-28)29-13-8-5-9-14-29/h4-9,11-18,32-33H,10,19-24H2,1-3H3,(H,37,41)
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 0.200n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against Alpha-1A adrenergic receptor (recombinant human receptor) using [3H]prazosin.

J Med Chem 42: 4804-13 (1999)


BindingDB Entry DOI: 10.7270/Q2RJ4K5R
More data for this
Ligand-Target Pair
Alpha-1D 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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 0.300n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


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

J Med Chem 42: 4778-93 (1999)


BindingDB Entry DOI: 10.7270/Q2930SCW
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM50082860
PNG
(3-{3-[4-(2-Carbamoyl-phenyl)-piperazin-1-yl]-propy...)
Show SMILES COC(=O)C1=C(C)NC(=O)N(C1c1cc(F)c(F)c(F)c1)C(=O)NCCCN1CCN(CC1)c1ccccc1C(N)=O |c:4|
Show InChI InChI=1S/C28H31F3N6O5/c1-16-22(26(39)42-2)24(17-14-19(29)23(31)20(30)15-17)37(28(41)34-16)27(40)33-8-5-9-35-10-12-36(13-11-35)21-7-4-3-6-18(21)25(32)38/h3-4,6-7,14-15,24H,5,8-13H2,1-2H3,(H2,32,38)(H,33,40)(H,34,41)
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 0.300n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


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

J Med Chem 42: 4794-803 (1999)


BindingDB Entry DOI: 10.7270/Q25B01P0
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM50082823
PNG
(CHEMBL145170 | methyl 4-(3,4-difluorophenyl)-6-met...)
Show SMILES COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCC2(CC1)OCc1ccccc21 |c:4|
Show InChI InChI=1S/C29H32F2N4O5/c1-18-24(26(36)39-2)25(19-8-9-22(30)23(31)16-19)35(28(38)33-18)27(37)32-12-5-13-34-14-10-29(11-15-34)21-7-4-3-6-20(21)17-40-29/h3-4,6-9,16,25H,5,10-15,17H2,1-2H3,(H,32,37)(H,33,38)
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 0.300n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


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

J Med Chem 42: 4778-93 (1999)


BindingDB Entry DOI: 10.7270/Q2930SCW
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM50082826
PNG
(3-[3-(4-Acetoxy-4-phenyl-piperidin-1-yl)-propylcar...)
Show SMILES COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)(OC(C)=O)c1ccccc1 |c:4|
Show InChI InChI=1S/C30H34F2N4O6/c1-19-25(27(38)41-3)26(21-10-11-23(31)24(32)18-21)36(29(40)34-19)28(39)33-14-7-15-35-16-12-30(13-17-35,42-20(2)37)22-8-5-4-6-9-22/h4-6,8-11,18,26H,7,12-17H2,1-3H3,(H,33,39)(H,34,40)
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 0.300n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


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

J Med Chem 42: 4778-93 (1999)


BindingDB Entry DOI: 10.7270/Q2930SCW
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM50082872
PNG
(6-(3,4-Difluoro-phenyl)-1-{5-[4-(2-methoxy-phenyl)...)
Show SMILES COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(CC2)c2ccccc2OC)C1c1ccc(F)c(F)c1 |c:4,t:7|
Show InChI InChI=1S/C31H39F2N3O3/c1-21-29(31(37)39-4)30(24-12-13-26(32)27(33)20-24)36(22(2)34-21)17-9-5-8-16-35-18-14-23(15-19-35)25-10-6-7-11-28(25)38-3/h6-7,10-13,20,23,30H,5,8-9,14-19H2,1-4H3
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 0.300n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against Alpha-1A adrenergic receptor (recombinant human receptor) using [3H]prazosin.

J Med Chem 42: 4804-13 (1999)


BindingDB Entry DOI: 10.7270/Q2RJ4K5R
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM50082859
PNG
(4-(3,4-Difluoro-phenyl)-6-methyl-2-oxo-3-[3-(4-o-t...)
Show SMILES COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCN(CC1)c1ccccc1C |c:4|
Show InChI InChI=1S/C28H33F2N5O4/c1-18-7-4-5-8-23(18)34-15-13-33(14-16-34)12-6-11-31-27(37)35-25(20-9-10-21(29)22(30)17-20)24(26(36)39-3)19(2)32-28(35)38/h4-5,7-10,17,25H,6,11-16H2,1-3H3,(H,31,37)(H,32,38)
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 0.300n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


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

J Med Chem 42: 4794-803 (1999)


BindingDB Entry DOI: 10.7270/Q25B01P0
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM50082865
PNG
(6-(3,4-Difluoro-phenyl)-1-[5-(4,4-diphenyl-piperid...)
Show SMILES COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)C1c1ccc(F)c(F)c1 |c:4,t:7|
Show InChI InChI=1S/C36H41F2N3O2/c1-26-33(35(42)43-3)34(28-17-18-31(37)32(38)25-28)41(27(2)39-26)22-12-6-11-21-40-23-19-36(20-24-40,29-13-7-4-8-14-29)30-15-9-5-10-16-30/h4-5,7-10,13-18,25,34H,6,11-12,19-24H2,1-3H3
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 0.330n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against isolated human prostate using [3H]- prazosin.

J Med Chem 42: 4804-13 (1999)


BindingDB Entry DOI: 10.7270/Q2RJ4K5R
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM50082875
PNG
(1-[5-(4-Cyano-4-phenyl-piperidin-1-yl)-pentyl]-6-(...)
Show SMILES COCC1=C(C(N(CCCCCN2CCC(CC2)(C#N)c2ccccc2)C(C)=N1)c1ccc(F)c(F)c1)C(=O)OC |c:29,t:3|
Show InChI InChI=1S/C32H38F2N4O3/c1-23-36-28(21-40-2)29(31(39)41-3)30(24-12-13-26(33)27(34)20-24)38(23)17-9-5-8-16-37-18-14-32(22-35,15-19-37)25-10-6-4-7-11-25/h4,6-7,10-13,20,30H,5,8-9,14-19,21H2,1-3H3
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 0.400n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against Alpha-1A adrenergic receptor (recombinant human receptor) using [3H]prazosin.

J Med Chem 42: 4804-13 (1999)


BindingDB Entry DOI: 10.7270/Q2RJ4K5R
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM50082807
PNG
(CHEMBL344339 | methyl 4-(3,4-difluorophenyl)-6-met...)
Show SMILES COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCC2(CCCc3ccccc23)CC1 |c:4|
Show InChI InChI=1S/C31H36F2N4O4/c1-20-26(28(38)41-2)27(22-10-11-24(32)25(33)19-22)37(30(40)35-20)29(39)34-15-6-16-36-17-13-31(14-18-36)12-5-8-21-7-3-4-9-23(21)31/h3-4,7,9-11,19,27H,5-6,8,12-18H2,1-2H3,(H,34,39)(H,35,40)
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 0.400n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


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

J Med Chem 42: 4778-93 (1999)


BindingDB Entry DOI: 10.7270/Q2930SCW
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM50082879
PNG
(1-[5-(4-Cyano-4-phenyl-piperidin-1-yl)-pentyl]-6-(...)
Show SMILES COCC1=NC(C)=C(C(N1CCCCCN1CCC(CC1)(C#N)c1ccccc1)c1ccc(F)c(F)c1)C(=O)OC |c:6,t:3|
Show InChI InChI=1S/C32H38F2N4O3/c1-23-29(31(39)41-3)30(24-12-13-26(33)27(34)20-24)38(28(36-23)21-40-2)17-9-5-8-16-37-18-14-32(22-35,15-19-37)25-10-6-4-7-11-25/h4,6-7,10-13,20,30H,5,8-9,14-19,21H2,1-3H3
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 0.400n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against Alpha-1A adrenergic receptor (recombinant human receptor) using [3H]prazosin.

J Med Chem 42: 4804-13 (1999)


BindingDB Entry DOI: 10.7270/Q2RJ4K5R
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM50082862
PNG
(5-Acetyl-4-methyl-2-oxo-6-(3,4,5-trifluoro-phenyl)...)
Show SMILES CC(=O)C1=C(C)NC(=O)N(C1c1cc(F)c(F)c(F)c1)C(=O)NCCCN1CCN(CC1)c1ccccc1C(N)=O |c:3|
Show InChI InChI=1S/C28H31F3N6O4/c1-16-23(17(2)38)25(18-14-20(29)24(31)21(30)15-18)37(28(41)34-16)27(40)33-8-5-9-35-10-12-36(13-11-35)22-7-4-3-6-19(22)26(32)39/h3-4,6-7,14-15,25H,5,8-13H2,1-2H3,(H2,32,39)(H,33,40)(H,34,41)
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 0.400n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


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

J Med Chem 42: 4794-803 (1999)


BindingDB Entry DOI: 10.7270/Q25B01P0
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM50082870
PNG
(6-(3,4-Difluoro-phenyl)-2,4-dimethyl-1-[5-(4-pheny...)
Show SMILES COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(CC2)c2ccccc2)C1c1ccc(F)c(F)c1 |c:4,t:7|
Show InChI InChI=1S/C30H37F2N3O2/c1-21-28(30(36)37-3)29(25-12-13-26(31)27(32)20-25)35(22(2)33-21)17-9-5-8-16-34-18-14-24(15-19-34)23-10-6-4-7-11-23/h4,6-7,10-13,20,24,29H,5,8-9,14-19H2,1-3H3
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 0.400n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against Alpha-1A adrenergic receptor (recombinant human receptor) using [3H]prazosin.

J Med Chem 42: 4804-13 (1999)


BindingDB Entry DOI: 10.7270/Q2RJ4K5R
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM50082865
PNG
(6-(3,4-Difluoro-phenyl)-1-[5-(4,4-diphenyl-piperid...)
Show SMILES COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)C1c1ccc(F)c(F)c1 |c:4,t:7|
Show InChI InChI=1S/C36H41F2N3O2/c1-26-33(35(42)43-3)34(28-17-18-31(37)32(38)25-28)41(27(2)39-26)22-12-6-11-21-40-23-19-36(20-24-40,29-13-7-4-8-14-29)30-15-9-5-10-16-30/h4-5,7-10,13-18,25,34H,6,11-12,19-24H2,1-3H3
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 0.400n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against Alpha-1A adrenergic receptor (recombinant human receptor) using [3H]prazosin.

J Med Chem 42: 4804-13 (1999)


BindingDB Entry DOI: 10.7270/Q2RJ4K5R
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM50082873
PNG
(6-(3,4-Difluoro-phenyl)-1-{5-[4-(2-methoxy-phenyl)...)
Show SMILES COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCN(CC2)c2ccccc2OC)C1c1ccc(F)c(F)c1 |c:4,t:7|
Show InChI InChI=1S/C30H38F2N4O3/c1-21-28(30(37)39-4)29(23-12-13-24(31)25(32)20-23)36(22(2)33-21)15-9-5-8-14-34-16-18-35(19-17-34)26-10-6-7-11-27(26)38-3/h6-7,10-13,20,29H,5,8-9,14-19H2,1-4H3
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 0.400n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against Alpha-1A adrenergic receptor (recombinant human receptor) using [3H]prazosin.

J Med Chem 42: 4804-13 (1999)


BindingDB Entry DOI: 10.7270/Q2RJ4K5R
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM50082871
PNG
(6-(2,4-Difluoro-phenyl)-1-[5-(4-methoxycarbonyl-4-...)
Show SMILES COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(CC2)(C(=O)OC)c2ccccc2)C1c1ccc(F)cc1F |c:4,t:7|
Show InChI InChI=1S/C32H39F2N3O4/c1-22-28(30(38)40-3)29(26-14-13-25(33)21-27(26)34)37(23(2)35-22)18-10-6-9-17-36-19-15-32(16-20-36,31(39)41-4)24-11-7-5-8-12-24/h5,7-8,11-14,21,29H,6,9-10,15-20H2,1-4H3
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 0.5n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against Alpha-1A adrenergic receptor (recombinant human receptor) using [3H]prazosin.

J Med Chem 42: 4804-13 (1999)


BindingDB Entry DOI: 10.7270/Q2RJ4K5R
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM50082863
PNG
(6-(3,4-Difluoro-phenyl)-1-{5-[4-(2-methoxycarbonyl...)
Show SMILES COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCN(CC2)c2ccccc2C(=O)OC)C1c1ccc(F)c(F)c1 |c:4,t:7|
Show InChI InChI=1S/C31H38F2N4O4/c1-21-28(31(39)41-4)29(23-12-13-25(32)26(33)20-23)37(22(2)34-21)15-9-5-8-14-35-16-18-36(19-17-35)27-11-7-6-10-24(27)30(38)40-3/h6-7,10-13,20,29H,5,8-9,14-19H2,1-4H3
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 0.5n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against Alpha-1A adrenergic receptor (recombinant human receptor) using [3H]prazosin.

J Med Chem 42: 4804-13 (1999)


BindingDB Entry DOI: 10.7270/Q2RJ4K5R
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM50082833
PNG
(4-(3,4-Difluoro-phenyl)-6-methyl-3-[3-(4-methyl-4-...)
Show SMILES COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(C)(CC1)c1ccccc1 |c:4|
Show InChI InChI=1S/C29H34F2N4O4/c1-19-24(26(36)39-3)25(20-10-11-22(30)23(31)18-20)35(28(38)33-19)27(37)32-14-7-15-34-16-12-29(2,13-17-34)21-8-5-4-6-9-21/h4-6,8-11,18,25H,7,12-17H2,1-3H3,(H,32,37)(H,33,38)
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 0.5n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


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

J Med Chem 42: 4778-93 (1999)


BindingDB Entry DOI: 10.7270/Q2930SCW
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))		BDBM50082808
PNG
(4-(3,4-Difluoro-phenyl)-6-methoxymethyl-3-[3-(4-me...)
Show SMILES COCC1=C(C(N(C(=O)NCCCN2CCC(C)(CC2)c2ccccc2)C(=O)N1)c1ccc(F)c(F)c1)C(=O)OC |t:3|
Show InChI InChI=1S/C30H36F2N4O5/c1-30(21-8-5-4-6-9-21)12-16-35(17-13-30)15-7-14-33-28(38)36-26(20-10-11-22(31)23(32)18-20)25(27(37)41-3)24(19-40-2)34-29(36)39/h4-6,8-11,18,26H,7,12-17,19H2,1-3H3,(H,33,38)(H,34,39)
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 0.5n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


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

J Med Chem 42: 4778-93 (1999)


BindingDB Entry DOI: 10.7270/Q2930SCW
More data for this
Ligand-Target Pair
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