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Compile Data Set for Download or QSAR

Found 8331 hits with Last Name = 'chen' and Initial = 't'   
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
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)


Article DOI: 10.1021/jm990202+
BindingDB Entry DOI: 10.7270/Q25B01P0
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50337452
PNG
(2-(4-chloro-2-((2-(6-methyl-2-oxo-3-(2-(pyridin-2-...)
Show SMILES Cc1cnc(NCCc2ccccn2)c(=O)n1CC(=O)NCc1cc(Cl)ccc1OCC(=O)NC1CC1
Show InChI InChI=1S/C26H29ClN6O4/c1-17-13-31-25(29-11-9-20-4-2-3-10-28-20)26(36)33(17)15-23(34)30-14-18-12-19(27)5-8-22(18)37-16-24(35)32-21-6-7-21/h2-5,8,10,12-13,21H,6-7,9,11,14-16H2,1H3,(H,29,31)(H,30,34)(H,32,35)
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0.0150n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of thrombin


Bioorg Med Chem Lett 21: 1532-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.108
BindingDB Entry DOI: 10.7270/Q2ZS2WS2
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
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)


Article DOI: 10.1021/jm990202+
BindingDB Entry DOI: 10.7270/Q25B01P0
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50071654
PNG
(3-{1-[4-(5-Methylsulfanyl-1,1,3-trioxo-1,3-dihydro...)
Show SMILES CSc1ccc2c(c1)C(=O)N(CCCCN1CCC(CC1)n1c3ccccc3oc1=O)S2(=O)=O
Show InChI InChI=1S/C24H27N3O5S2/c1-33-18-8-9-22-19(16-18)23(28)26(34(22,30)31)13-5-4-12-25-14-10-17(11-15-25)27-20-6-2-3-7-21(20)32-24(27)29/h2-3,6-9,16-17H,4-5,10-15H2,1H3
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0.0570n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Ability to displace beta ([125I]-iodo-4-hydroxyphenyl)-ethylaminomethyl tetralone from human cloned Alpha-1a adrenergic receptor stably expressed in ...


Bioorg Med Chem Lett 8: 2467-72 (1999)


Article DOI: 10.1016/s0960-894x(98)00446-6
BindingDB Entry DOI: 10.7270/Q2NP23K1
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
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)


Article DOI: 10.1021/jm990201h
BindingDB Entry DOI: 10.7270/Q2930SCW
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
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)


Article DOI: 10.1021/jm990201h
BindingDB Entry DOI: 10.7270/Q2930SCW
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50071655
PNG
(3-{1-[4-(5-Methoxy-1,1,3-trioxo-1,3-dihydro-1lambd...)
Show SMILES COc1ccc2c(c1)C(=O)N(CCCCN1CCC(CC1)n1c3ccccc3oc1=O)S2(=O)=O
Show InChI InChI=1S/C24H27N3O6S/c1-32-18-8-9-22-19(16-18)23(28)26(34(22,30)31)13-5-4-12-25-14-10-17(11-15-25)27-20-6-2-3-7-21(20)33-24(27)29/h2-3,6-9,16-17H,4-5,10-15H2,1H3
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0.0640n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Ability to displace beta ([125I]-iodo-4-hydroxyphenyl)-ethylaminomethyl tetralone from human cloned Alpha-1a adrenergic receptor stably expressed in ...


Bioorg Med Chem Lett 8: 2467-72 (1999)


Article DOI: 10.1016/s0960-894x(98)00446-6
BindingDB Entry DOI: 10.7270/Q2NP23K1
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50071647
PNG
(3-{1-[4-(5-Chloro-1,1,3-trioxo-1,3-dihydro-1lambda...)
Show SMILES Clc1ccc2c(c1)C(=O)N(CCCCN1CCC(CC1)n1c3ccccc3oc1=O)S2(=O)=O
Show InChI InChI=1S/C23H24ClN3O5S/c24-16-7-8-21-18(15-16)22(28)26(33(21,30)31)12-4-3-11-25-13-9-17(10-14-25)27-19-5-1-2-6-20(19)32-23(27)29/h1-2,5-8,15,17H,3-4,9-14H2
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0.0770n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Compound was evaluated for its affinity for Alpha-1a adrenergic receptor in human aorta preparations


Bioorg Med Chem Lett 8: 2467-72 (1999)


Article DOI: 10.1016/s0960-894x(98)00446-6
BindingDB Entry DOI: 10.7270/Q2NP23K1
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
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)


Article DOI: 10.1021/jm990202+
BindingDB Entry DOI: 10.7270/Q25B01P0
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50071652
PNG
(6-Fluoro-3-{1-[4-(1,1,3-trioxo-1,3-dihydro-1lambda...)
Show SMILES Fc1ccc2n(C3CCN(CCCCN4C(=O)c5ccccc5S4(=O)=O)CC3)c(=O)oc2c1
Show InChI InChI=1S/C23H24FN3O5S/c24-16-7-8-19-20(15-16)32-23(29)27(19)17-9-13-25(14-10-17)11-3-4-12-26-22(28)18-5-1-2-6-21(18)33(26,30)31/h1-2,5-8,15,17H,3-4,9-14H2
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0.0840n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Ability to displace beta ([125I]-iodo-4-hydroxyphenyl)-ethylamino methyl tetralone from human cloned Alpha-1a adrenergic receptor stably expressed in...


Bioorg Med Chem Lett 8: 2467-72 (1999)


Article DOI: 10.1016/s0960-894x(98)00446-6
BindingDB Entry DOI: 10.7270/Q2NP23K1
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50071651
PNG
(3-{1-[4-(5-Methyl-1,1,3-trioxo-1,3-dihydro-1lambda...)
Show SMILES Cc1ccc2c(c1)C(=O)N(CCCCN1CCC(CC1)n1c3ccccc3oc1=O)S2(=O)=O
Show InChI InChI=1S/C24H27N3O5S/c1-17-8-9-22-19(16-17)23(28)26(33(22,30)31)13-5-4-12-25-14-10-18(11-15-25)27-20-6-2-3-7-21(20)32-24(27)29/h2-3,6-9,16,18H,4-5,10-15H2,1H3
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0.0990n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Ability to displace beta ([125I]-iodo-4-hydroxyphenyl)-ethylaminomethyl tetralone from human cloned Alpha-1a adrenergic receptor stably expressed in ...


Bioorg Med Chem Lett 8: 2467-72 (1999)


Article DOI: 10.1016/s0960-894x(98)00446-6
BindingDB Entry DOI: 10.7270/Q2NP23K1
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
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)


Article DOI: 10.1021/jm990202+
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
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)


Article DOI: 10.1021/jm990202+
BindingDB Entry DOI: 10.7270/Q25B01P0
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
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)


Article DOI: 10.1021/jm990202+
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
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)


Article DOI: 10.1021/jm990202+
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
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)


Article DOI: 10.1021/jm990202+
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
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)


Article DOI: 10.1021/jm990202+
BindingDB Entry DOI: 10.7270/Q25B01P0
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
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: 4764-77 (1999)


Article DOI: 10.1021/jm990200p
BindingDB Entry DOI: 10.7270/Q2W959W2
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
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)


Article DOI: 10.1021/jm990201h
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
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)


Article DOI: 10.1021/jm990201h
BindingDB Entry DOI: 10.7270/Q2930SCW
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
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)


Article DOI: 10.1021/jm9902032
BindingDB Entry DOI: 10.7270/Q2RJ4K5R
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
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)


Article DOI: 10.1021/jm9902032
BindingDB Entry DOI: 10.7270/Q2RJ4K5R
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50082792
PNG
(4-Benzo[1,2,5]oxadiazol-5-yl-3-[3-(4-methoxycarbon...)
Show SMILES COC(=O)C1=C(C)NC(=O)N(C1c1ccc2nonc2c1)C(=O)NCCCN1CCC(CC1)(C(=O)OC)c1ccccc1
Show InChI InChI=1S/C30H34N6O7/c1-19-24(26(37)41-2)25(20-10-11-22-23(18-20)34-43-33-22)36(29(40)32-19)28(39)31-14-7-15-35-16-12-30(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,31,39)(H,32,40)
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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: 4764-77 (1999)


Article DOI: 10.1021/jm990200p
BindingDB Entry DOI: 10.7270/Q2W959W2
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
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)


Article DOI: 10.1021/jm9902032
BindingDB Entry DOI: 10.7270/Q2RJ4K5R
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
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)


Article DOI: 10.1021/jm990201h
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
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)


Article DOI: 10.1021/jm990202+
BindingDB Entry DOI: 10.7270/Q25B01P0
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50071646
PNG
(3-{1-[4-(1,1,3-Trioxo-1,3-dihydro-1lambda*6*-benzo...)
Show SMILES O=C1N(CCCCN2CCC(CC2)n2c3ccccc3oc2=O)S(=O)(=O)c2ccccc12
Show InChI InChI=1S/C23H25N3O5S/c27-22-18-7-1-4-10-21(18)32(29,30)25(22)14-6-5-13-24-15-11-17(12-16-24)26-19-8-2-3-9-20(19)31-23(26)28/h1-4,7-10,17H,5-6,11-16H2
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0.120n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Ability to displace beta ([125I]-iodo-4-hydroxyphenyl)-ethylamino methyl tetralone from human cloned Alpha-1a adrenergic receptor stably expressed in...


Bioorg Med Chem Lett 8: 2467-72 (1999)


Article DOI: 10.1016/s0960-894x(98)00446-6
BindingDB Entry DOI: 10.7270/Q2NP23K1
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50337453
PNG
(2-(4-chloro-2-((2-(6-methyl-2-oxo-3-(2-(pyridin-2-...)
Show SMILES Cc1cnc(NCCc2ccccn2)c(=O)n1CC(=O)NCc1cc(Cl)ccc1OCC(=O)NC1CCCNC1
Show InChI InChI=1S/C28H34ClN7O4/c1-19-14-34-27(32-12-9-22-5-2-3-11-31-22)28(39)36(19)17-25(37)33-15-20-13-21(29)7-8-24(20)40-18-26(38)35-23-6-4-10-30-16-23/h2-3,5,7-8,11,13-14,23,30H,4,6,9-10,12,15-18H2,1H3,(H,32,34)(H,33,37)(H,35,38)
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0.125n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of thrombin


Bioorg Med Chem Lett 21: 1532-5 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.108
BindingDB Entry DOI: 10.7270/Q2ZS2WS2
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50071661
PNG
(3-{1-[4-(5-Nitro-1,1,3-trioxo-1,3-dihydro-1lambda*...)
Show SMILES [O-][N+](=O)c1ccc2c(c1)C(=O)N(CCCCN1CCC(CC1)n1c3ccccc3oc1=O)S2(=O)=O
Show InChI InChI=1S/C23H24N4O7S/c28-22-18-15-17(27(30)31)7-8-21(18)35(32,33)25(22)12-4-3-11-24-13-9-16(10-14-24)26-19-5-1-2-6-20(19)34-23(26)29/h1-2,5-8,15-16H,3-4,9-14H2
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0.130n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Ability to displace beta ([125I]-iodo-4-hydroxyphenyl)-ethylamino methyl tetralone from human cloned Alpha-1a adrenergic receptor stably expressed in...


Bioorg Med Chem Lett 8: 2467-72 (1999)


Article DOI: 10.1016/s0960-894x(98)00446-6
BindingDB Entry DOI: 10.7270/Q2NP23K1
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50071653
PNG
(3-{1-[4-(6-Nitro-1,1,3-trioxo-1,3-dihydro-1lambda*...)
Show SMILES [O-][N+](=O)c1ccc2C(=O)N(CCCCN3CCC(CC3)n3c4ccccc4oc3=O)S(=O)(=O)c2c1
Show InChI InChI=1S/C23H24N4O7S/c28-22-18-8-7-17(27(30)31)15-21(18)35(32,33)25(22)12-4-3-11-24-13-9-16(10-14-24)26-19-5-1-2-6-20(19)34-23(26)29/h1-2,5-8,15-16H,3-4,9-14H2
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0.160n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Ability to displace beta ([125I]-iodo-4-hydroxyphenyl)-ethylaminomethyl tetralone from human cloned Alpha-1a adrenergic receptor stably expressed in ...


Bioorg Med Chem Lett 8: 2467-72 (1999)


Article DOI: 10.1016/s0960-894x(98)00446-6
BindingDB Entry DOI: 10.7270/Q2NP23K1
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50071647
PNG
(3-{1-[4-(5-Chloro-1,1,3-trioxo-1,3-dihydro-1lambda...)
Show SMILES Clc1ccc2c(c1)C(=O)N(CCCCN1CCC(CC1)n1c3ccccc3oc1=O)S2(=O)=O
Show InChI InChI=1S/C23H24ClN3O5S/c24-16-7-8-21-18(15-16)22(28)26(33(21,30)31)12-4-3-11-25-13-9-17(10-14-25)27-19-5-1-2-6-20(19)32-23(27)29/h1-2,5-8,15,17H,3-4,9-14H2
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0.170n/an/an/an/an/an/an/an/a



Merck & Co.

Curated by ChEMBL


Assay Description
Compound was evaluated for its affinity for alpha 1a receptor in human prostate tissue preparations


Bioorg Med Chem Lett 8: 2467-72 (1999)


Article DOI: 10.1016/s0960-894x(98)00446-6
BindingDB Entry DOI: 10.7270/Q2NP23K1
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50082790
PNG
(1-(3-{[5-Carbamoyl-4-ethyl-6-(4-nitro-phenyl)-2-ox...)
Show SMILES CCC1=C(C(N(C(=O)NCCCN2CCC(CC2)(C(=O)OC)c2ccccc2)C(=O)N1)c1ccc(cc1)[N+]([O-])=O)C(N)=O
Show InChI InChI=1S/C30H36N6O7/c1-3-23-24(26(31)37)25(20-10-12-22(13-11-20)36(41)42)35(29(40)33-23)28(39)32-16-7-17-34-18-14-30(15-19-34,27(38)43-2)21-8-5-4-6-9-21/h4-6,8-13,25H,3,7,14-19H2,1-2H3,(H2,31,37)(H,32,39)(H,33,40)
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0.190n/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 in isolated prostate tissue of human


J Med Chem 42: 4764-77 (1999)


Article DOI: 10.1021/jm990200p
BindingDB Entry DOI: 10.7270/Q2W959W2
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
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)


Article DOI: 10.1021/jm990202+
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
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: 4764-77 (1999)


Article DOI: 10.1021/jm990200p
BindingDB Entry DOI: 10.7270/Q2W959W2
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
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)


Article DOI: 10.1021/jm990202+
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
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)


Article DOI: 10.1021/jm990202+
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
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)


Article DOI: 10.1021/jm990202+
BindingDB Entry DOI: 10.7270/Q25B01P0
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
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)


Article DOI: 10.1021/jm990201h
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
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)


Article DOI: 10.1021/jm990201h
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
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)


Article DOI: 10.1021/jm990201h
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
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)


Article DOI: 10.1021/jm990201h
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
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)


Article DOI: 10.1021/jm990201h
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
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)


Article DOI: 10.1021/jm990201h
BindingDB Entry DOI: 10.7270/Q2930SCW
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
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)


Article DOI: 10.1021/jm990201h
BindingDB Entry DOI: 10.7270/Q2930SCW
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
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)


Article DOI: 10.1021/jm990201h
BindingDB Entry DOI: 10.7270/Q2930SCW
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
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)


Article DOI: 10.1021/jm9902032
BindingDB Entry DOI: 10.7270/Q2RJ4K5R
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
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: 4764-77 (1999)


Article DOI: 10.1021/jm990200p
BindingDB Entry DOI: 10.7270/Q2W959W2
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50082798
PNG
(4-(2,4-Difluoro-phenyl)-3-[3-(4-methoxycarbonyl-4-...)
Show SMILES COC(=O)C1=C(C)NC(=O)N(C1c1ccc(F)cc1F)C(=O)NCCCN1CCC(CC1)(C(=O)OC)c1ccccc1
Show InChI InChI=1S/C30H34F2N4O6/c1-19-24(26(37)41-2)25(22-11-10-21(31)18-23(22)32)36(29(40)34-19)28(39)33-14-7-15-35-16-12-30(13-17-35,27(38)42-3)20-8-5-4-6-9-20/h4-6,8-11,18,25H,7,12-17H2,1-3H3,(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: 4764-77 (1999)


Article DOI: 10.1021/jm990200p
BindingDB Entry DOI: 10.7270/Q2W959W2
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
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 radioligand


J Med Chem 42: 4764-77 (1999)


Article DOI: 10.1021/jm990200p
BindingDB Entry DOI: 10.7270/Q2W959W2
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50082790
PNG
(1-(3-{[5-Carbamoyl-4-ethyl-6-(4-nitro-phenyl)-2-ox...)
Show SMILES CCC1=C(C(N(C(=O)NCCCN2CCC(CC2)(C(=O)OC)c2ccccc2)C(=O)N1)c1ccc(cc1)[N+]([O-])=O)C(N)=O
Show InChI InChI=1S/C30H36N6O7/c1-3-23-24(26(31)37)25(20-10-12-22(13-11-20)36(41)42)35(29(40)33-23)28(39)32-16-7-17-34-18-14-30(15-19-34,27(38)43-2)21-8-5-4-6-9-21/h4-6,8-13,25H,3,7,14-19H2,1-2H3,(H2,31,37)(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: 4764-77 (1999)


Article DOI: 10.1021/jm990200p
BindingDB Entry DOI: 10.7270/Q2W959W2
More data for this
Ligand-Target Pair
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