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Compile Data Set for Download or QSAR

Found 825 hits with Last Name = 'gluchowski' and Initial = 'c'   
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))
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))
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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0.0800n/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
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))
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))
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))
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))
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))
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))
BDBM50082866
PNG
(6-(3,4-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)c(F)c1 |c:4,t:7|
Show InChI InChI=1S/C32H39F2N3O4/c1-22-28(30(38)40-3)29(24-13-14-26(33)27(34)21-24)37(23(2)35-22)18-10-6-9-17-36-19-15-32(16-20-36,31(39)41-4)25-11-7-5-8-12-25/h5,7-8,11-14,21,29H,6,9-10,15-20H2,1-4H3
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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))
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))
BDBM50034683
PNG
((S)-2,6-Dimethyl-4-(3-nitro-phenyl)-1,4-dihydro-py...)
Show SMILES COC(=[OH+])C1=C(C)N=C(C)C([C@H]1c1cccc(c1)[N+]([O-])=O)=C([O-])OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |w:21.23,c:4,t:7|
Show InChI InChI=1S/C36H39N3O6/c1-25-31(34(40)44-3)33(27-12-10-17-30(24-27)39(42)43)32(26(2)37-25)35(41)45-23-11-20-38-21-18-36(19-22-38,28-13-6-4-7-14-28)29-15-8-5-9-16-29/h4-10,12-17,24,33,41H,11,18-23H2,1-3H3/t33-/m0/s1
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0.160n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Ability to displace [3H]prazosin from cloned human Alpha-1A adrenergic receptor


J Med Chem 38: 1579-81 (1995)


BindingDB Entry DOI: 10.7270/Q25Q4WRJ
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50090647
PNG
((4S,5S)-4-(3,4-Difluoro-phenyl)-5-methyl-2-oxo-oxa...)
Show SMILES C[C@@H]1OC(=O)N([C@H]1c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C25H28F3N3O3/c1-16-23(19-5-8-21(27)22(28)15-19)31(25(33)34-16)24(32)29-11-2-12-30-13-9-18(10-14-30)17-3-6-20(26)7-4-17/h3-8,15-16,18,23H,2,9-14H2,1H3,(H,29,32)/t16-,23+/m0/s1
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0.170n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards Alpha1A human adrenergic receptors, using [125I]-HEAT as radioligand.


J Med Chem 43: 2775-8 (2000)


BindingDB Entry DOI: 10.7270/Q2PZ582K
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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0.180n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Ability to displace [3H]prazosin from cloned human Alpha-1A adrenergic receptor


J Med Chem 38: 1579-81 (1995)


BindingDB Entry DOI: 10.7270/Q25Q4WRJ
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))
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))
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))
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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0.200n/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))
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))
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
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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0.210n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Ability to displace [3H]prazosin from cloned human Alpha-1B adrenergic receptor


J Med Chem 38: 1579-81 (1995)


BindingDB Entry DOI: 10.7270/Q25Q4WRJ
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50090647
PNG
((4S,5S)-4-(3,4-Difluoro-phenyl)-5-methyl-2-oxo-oxa...)
Show SMILES C[C@@H]1OC(=O)N([C@H]1c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C25H28F3N3O3/c1-16-23(19-5-8-21(27)22(28)15-19)31(25(33)34-16)24(32)29-11-2-12-30-13-9-18(10-14-30)17-3-6-20(26)7-4-17/h3-8,15-16,18,23H,2,9-14H2,1H3,(H,29,32)/t16-,23+/m0/s1
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0.230n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha1A dog adrenergic receptors, using [125I]HEAT as radioligand.


J Med Chem 43: 2775-8 (2000)


BindingDB Entry DOI: 10.7270/Q2PZ582K
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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0.260n/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))
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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0.270n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Ability to displace [3H]prazosin from cloned human Alpha-1A adrenergic receptor


J Med Chem 38: 1579-81 (1995)


BindingDB Entry DOI: 10.7270/Q25Q4WRJ
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))
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-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
Ability to displace [3H]prazosin from cloned human Alpha-1D adrenergic receptor


J Med Chem 38: 1579-81 (1995)


BindingDB Entry DOI: 10.7270/Q25Q4WRJ
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))
BDBM50034681
PNG
(2,6-Dimethyl-4-(4-nitro-phenyl)-1,4-dihydro-pyridi...)
Show SMILES COC(=[OH+])C1=C(C)N=C(C)C(C1c1ccc(cc1)[N+]([O-])=O)=C([O-])OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |w:21.23,c:4,t:7|
Show InChI InChI=1S/C36H39N3O6/c1-25-31(34(40)44-3)33(27-15-17-30(18-16-27)39(42)43)32(26(2)37-25)35(41)45-24-10-21-38-22-19-36(20-23-38,28-11-6-4-7-12-28)29-13-8-5-9-14-29/h4-9,11-18,33,41H,10,19-24H2,1-3H3
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0.320n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Ability to displace [3H]prazosin from cloned human Alpha-1A adrenergic receptor


J Med Chem 38: 1579-81 (1995)


BindingDB Entry DOI: 10.7270/Q25Q4WRJ
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
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
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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0.330n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against human Alpha-1D adrenergic receptor (h alpha-1d)


Bioorg Med Chem Lett 9: 2843-8 (1999)


BindingDB Entry DOI: 10.7270/Q2NK3FJ2
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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0.350n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against human Alpha-1a adrenergic receptor


Bioorg Med Chem Lett 9: 2843-8 (1999)


BindingDB Entry DOI: 10.7270/Q2NK3FJ2
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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0.350n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Ability to displace [3H]prazosin from cloned human Alpha-1A adrenergic receptor


J Med Chem 38: 1579-81 (1995)


BindingDB Entry DOI: 10.7270/Q25Q4WRJ
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50090647
PNG
((4S,5S)-4-(3,4-Difluoro-phenyl)-5-methyl-2-oxo-oxa...)
Show SMILES C[C@@H]1OC(=O)N([C@H]1c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)c1ccc(F)cc1 |r|
Show InChI InChI=1S/C25H28F3N3O3/c1-16-23(19-5-8-21(27)22(28)15-19)31(25(33)34-16)24(32)29-11-2-12-30-13-9-18(10-14-30)17-3-6-20(26)7-4-17/h3-8,15-16,18,23H,2,9-14H2,1H3,(H,29,32)/t16-,23+/m0/s1
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0.360n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha1A rat adrenergic receptors, using [125I]HEAT as radioligand.


J Med Chem 43: 2775-8 (2000)


BindingDB Entry DOI: 10.7270/Q2PZ582K
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))
BDBM50081818
PNG
(2-(2-Amino-ethoxymethyl)-6-ethyl-4-(4-nitro-phenyl...)
Show SMILES CCC1=NC(COCCN)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:9,t:2|
Show InChI InChI=1S/C38H46N6O5/c1-2-31-34(36(40)45)33(27-14-16-30(17-15-27)44(47)48)35(32(42-31)26-49-25-20-39)37(46)41-21-9-22-43-23-18-38(19-24-43,28-10-5-3-6-11-28)29-12-7-4-8-13-29/h3-8,10-17,33-34H,2,9,18-26,39H2,1H3,(H2,40,45)(H,41,46)
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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 human Alpha-2b adrenergic receptor


Bioorg Med Chem Lett 9: 2843-8 (1999)


BindingDB Entry DOI: 10.7270/Q2NK3FJ2
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))
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))
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))
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))
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))
BDBM50084996
PNG
(1-(3-{[4-(3,4-Difluoro-phenyl)-2,5-dioxo-1,2,5,7-t...)
Show SMILES COC(=O)C1(CCN(CCCNC(=O)N2C(C3=C(COC3=O)NC2=O)c2ccc(F)c(F)c2)CC1)c1ccccc1 |t:16|
Show InChI InChI=1S/C29H30F2N4O6/c1-40-26(37)29(19-6-3-2-4-7-19)10-14-34(15-11-29)13-5-12-32-27(38)35-24(18-8-9-20(30)21(31)16-18)23-22(33-28(35)39)17-41-25(23)36/h2-4,6-9,16,24H,5,10-15,17H2,1H3,(H,32,38)(H,33,39)
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0.400n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Displacement of [3H]- prazosin from human recombinant Alpha-1A adrenergic receptor


Bioorg Med Chem Lett 10: 175-8 (2000)


BindingDB Entry DOI: 10.7270/Q2N29W5M
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50026917
PNG
(8-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)-8-a...)
Show SMILES COc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1
Show InChI InChI=1S/C22H31N3O3/c1-28-19-7-3-2-6-18(19)24-13-10-23(11-14-24)12-15-25-20(26)16-22(17-21(25)27)8-4-5-9-22/h2-3,6-7H,4-5,8-17H2,1H3
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0.460n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for human 5-hydroxytryptamine 1A receptor


J Med Chem 48: 3076-9 (2005)


Article DOI: 10.1021/jm0491391
BindingDB Entry DOI: 10.7270/Q2445M0K
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50081818
PNG
(2-(2-Amino-ethoxymethyl)-6-ethyl-4-(4-nitro-phenyl...)
Show SMILES CCC1=NC(COCCN)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:9,t:2|
Show InChI InChI=1S/C38H46N6O5/c1-2-31-34(36(40)45)33(27-14-16-30(17-15-27)44(47)48)35(32(42-31)26-49-25-20-39)37(46)41-21-9-22-43-23-18-38(19-24-43,28-10-5-3-6-11-28)29-12-7-4-8-13-29/h3-8,10-17,33-34H,2,9,18-26,39H2,1H3,(H2,40,45)(H,41,46)
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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 human Alpha-2B adrenergic receptor


Bioorg Med Chem Lett 9: 2843-8 (1999)


BindingDB Entry DOI: 10.7270/Q2NK3FJ2
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))
BDBM50081818
PNG
(2-(2-Amino-ethoxymethyl)-6-ethyl-4-(4-nitro-phenyl...)
Show SMILES CCC1=NC(COCCN)=C(C(C1C(N)=O)c1ccc(cc1)[N+]([O-])=O)C(=O)NCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |c:9,t:2|
Show InChI InChI=1S/C38H46N6O5/c1-2-31-34(36(40)45)33(27-14-16-30(17-15-27)44(47)48)35(32(42-31)26-49-25-20-39)37(46)41-21-9-22-43-23-18-38(19-24-43,28-10-5-3-6-11-28)29-12-7-4-8-13-29/h3-8,10-17,33-34H,2,9,18-26,39H2,1H3,(H2,40,45)(H,41,46)
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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 human Alpha-2b adrenergic receptor


Bioorg Med Chem Lett 9: 2843-8 (1999)


BindingDB Entry DOI: 10.7270/Q2NK3FJ2
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
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