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Compile Data Set for Download or QSAR

Found 264 hits with Last Name = 'peng' and Initial = 'j'   
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
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (Human))
BDBM50049757
PNG
(()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...)
Show SMILES Clc1ccc(cn1)C1CC2CCC1N2 |TLB:4:7:11.10:13|
Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2
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0.0120n/an/an/an/an/an/an/an/a



Barrow Neurological Institute

Curated by PDSP Ki Database




Mol Pharmacol 64: 1283-94 (2003)


Article DOI: 10.1124/mol.64.6.1283
BindingDB Entry DOI: 10.7270/Q2GF0S2V
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))
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))
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))
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
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (Human))
BDBM86311
PNG
(CAS_485-35-8 | Cytisine | Cytisine-(-) | NSC_22407)
Show SMILES O=c1cccc2C3CNCC(C3)Cn12 |THB:4:5:11:9.8.7|
Show InChI InChI=1S/C11H14N2O/c14-11-3-1-2-10-9-4-8(5-12-6-9)7-13(10)11/h1-3,8-9,12H,4-7H2
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0.240n/an/an/an/an/an/an/an/a



Barrow Neurological Institute

Curated by PDSP Ki Database




Mol Pharmacol 64: 1283-94 (2003)


Article DOI: 10.1124/mol.64.6.1283
BindingDB Entry DOI: 10.7270/Q2GF0S2V
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))
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))
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))
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))
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))
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))
BDBM50082874
PNG
(1-{5-[4-(2-Carbamoyl-phenyl)-piperazin-1-yl]-penty...)
Show SMILES COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCN(CC2)c2ccccc2C(N)=O)C1c1ccc(F)c(F)c1 |c:4,t:7|
Show InChI InChI=1S/C30H37F2N5O3/c1-20-27(30(39)40-3)28(22-11-12-24(31)25(32)19-22)37(21(2)34-20)14-8-4-7-13-35-15-17-36(18-16-35)26-10-6-5-9-23(26)29(33)38/h5-6,9-12,19,28H,4,7-8,13-18H2,1-3H3,(H2,33,38)
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0.600n/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


(Rattus norvegicus (Rat))
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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0.970n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against isolated rat 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))
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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1n/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))
BDBM50082868
PNG
(1-[5-(4-Cyano-4-phenyl-piperidin-1-yl)-pentyl]-6-(...)
Show SMILES COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(CC2)(C#N)c2ccccc2)C1c1ccc(F)c(F)c1 |c:4,t:7|
Show InChI InChI=1S/C31H36F2N4O2/c1-22-28(30(38)39-3)29(24-12-13-26(32)27(33)20-24)37(23(2)35-22)17-9-5-8-16-36-18-14-31(21-34,15-19-36)25-10-6-4-7-11-25/h4,6-7,10-13,20,29H,5,8-9,14-19H2,1-3H3
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1n/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))
BDBM50082878
PNG
(6-(3,4-Difluoro-phenyl)-2,4-dimethyl-1-{5-[4-(2-tr...)
Show SMILES COC(=O)C1=C(C)N=C(C)N(CCCCCN2CCC(CC2)c2ccccc2C(F)(F)F)C1c1ccc(F)c(F)c1 |c:4,t:7|
Show InChI InChI=1S/C31H36F5N3O2/c1-20-28(30(40)41-3)29(23-11-12-26(32)27(33)19-23)39(21(2)37-20)16-8-4-7-15-38-17-13-22(14-18-38)24-9-5-6-10-25(24)31(34,35)36/h5-6,9-12,19,22,29H,4,7-8,13-18H2,1-3H3
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1.10n/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))
BDBM50082881
PNG
(1-[(S)-5-(4-Cyano-4-phenyl-piperidin-1-yl)-4-methy...)
Show SMILES COC(=O)C1=C(C)N=C(C)N(CCC[C@H](C)CN2CCC(CC2)(C#N)c2ccccc2)C1c1ccc(F)c(F)c1 |c:4,t:7|
Show InChI InChI=1S/C32H38F2N4O2/c1-22(20-37-17-14-32(21-35,15-18-37)26-10-6-5-7-11-26)9-8-16-38-24(3)36-23(2)29(31(39)40-4)30(38)25-12-13-27(33)28(34)19-25/h5-7,10-13,19,22,30H,8-9,14-18,20H2,1-4H3/t22-,30?/m0/s1
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1.20n/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))
BDBM50082876
PNG
(6-(3,4-Difluoro-phenyl)-1-[(S)-5-(4-methoxycarbony...)
Show SMILES COC(=O)C1=C(C)N=C(C)N(CCC[C@H](C)CN2CCC(CC2)(C(=O)OC)c2ccccc2)C1c1ccc(F)c(F)c1 |c:4,t:7|
Show InChI InChI=1S/C33H41F2N3O4/c1-22(21-37-18-15-33(16-19-37,32(40)42-5)26-11-7-6-8-12-26)10-9-17-38-24(3)36-23(2)29(31(39)41-4)30(38)25-13-14-27(34)28(35)20-25/h6-8,11-14,20,22,30H,9-10,15-19,21H2,1-5H3/t22-,30?/m0/s1
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1.60n/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
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (Human))
BDBM50047021
PNG
(2-(6-(2-hydroxy-2-phenylethyl)-1-methylpiperidin-2...)
Show SMILES CN1C(CC(O)c2ccccc2)CCCC1CC(=O)c1ccccc1
Show InChI InChI=1S/C22H27NO2/c1-23-19(15-21(24)17-9-4-2-5-10-17)13-8-14-20(23)16-22(25)18-11-6-3-7-12-18/h2-7,9-12,19-21,24H,8,13-16H2,1H3
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1.90n/an/an/an/an/an/an/an/a



Barrow Neurological Institute

Curated by PDSP Ki Database




Mol Pharmacol 64: 1283-94 (2003)


Article DOI: 10.1124/mol.64.6.1283
BindingDB Entry DOI: 10.7270/Q2GF0S2V
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (Human))
BDBM50004108
PNG
((+-)-nicotine | (R,S)-nicotine | (RS)-nicotine | 3...)
Show SMILES CN1CCCC1c1cccnc1
Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3
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2n/an/an/an/an/an/an/an/a



Barrow Neurological Institute

Curated by PDSP Ki Database




Mol Pharmacol 64: 1283-94 (2003)


Article DOI: 10.1124/mol.64.6.1283
BindingDB Entry DOI: 10.7270/Q2GF0S2V
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50082884
PNG
(1-{(S)-5-[4-(2-Carbamoyl-phenyl)-piperazin-1-yl]-4...)
Show SMILES COC(=O)C1=C(C)N=C(C)N(CCC[C@H](C)CN2CCN(CC2)c2ccccc2C(N)=O)C1c1ccc(F)c(F)c1 |c:4,t:7|
Show InChI InChI=1S/C31H39F2N5O3/c1-20(19-36-14-16-37(17-15-36)27-10-6-5-9-24(27)30(34)39)8-7-13-38-22(3)35-21(2)28(31(40)41-4)29(38)23-11-12-25(32)26(33)18-23/h5-6,9-12,18,20,29H,7-8,13-17,19H2,1-4H3,(H2,34,39)/t20-,29?/m0/s1
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3.5n/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))
BDBM50082867
PNG
(6-(3,4-Difluoro-phenyl)-1-[4-(4-methoxycarbonyl-4-...)
Show SMILES COC(=O)C1=C(C)N=C(C)N(CCCCN2CCC(CC2)(C(=O)OC)c2ccccc2)C1c1ccc(F)c(F)c1 |c:4,t:7|
Show InChI InChI=1S/C31H37F2N3O4/c1-21-27(29(37)39-3)28(23-12-13-25(32)26(33)20-23)36(22(2)34-21)17-9-8-16-35-18-14-31(15-19-35,30(38)40-4)24-10-6-5-7-11-24/h5-7,10-13,20,28H,8-9,14-19H2,1-4H3
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3.60n/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))
BDBM50082869
PNG
(1-{5-[5-Carbamoyl-6-(2,4-difluoro-phenyl)-2,4-dime...)
Show SMILES COC(=O)C1(CCN(CCCCCN2C(C(C(N)=O)=C(C)N=C2C)c2ccc(F)cc2F)CC1)c1ccccc1 |c:21,t:18|
Show InChI InChI=1S/C31H38F2N4O3/c1-21-27(29(34)38)28(25-13-12-24(32)20-26(25)33)37(22(2)35-21)17-9-5-8-16-36-18-14-31(15-19-36,30(39)40-3)23-10-6-4-7-11-23/h4,6-7,10-13,20,28H,5,8-9,14-19H2,1-3H3,(H2,34,38)
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4.20n/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))
BDBM50082883
PNG
(6-(3,4-Difluoro-phenyl)-1-[3-(4-methoxycarbonyl-4-...)
Show SMILES COC(=O)C1=C(C)N=C(C)N(Cc2cccc(CN3CCC(CC3)(C(=O)OC)c3ccccc3)c2)C1c1ccc(F)c(F)c1 |c:4,t:7|
Show InChI InChI=1S/C35H37F2N3O4/c1-23-31(33(41)43-3)32(27-13-14-29(36)30(37)20-27)40(24(2)38-23)22-26-10-8-9-25(19-26)21-39-17-15-35(16-18-39,34(42)44-4)28-11-6-5-7-12-28/h5-14,19-20,32H,15-18,21-22H2,1-4H3
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6.80n/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
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (Human))
BDBM85207
PNG
(CAS_123990 | NSC_123990 | Suberyldicholine)
Show SMILES C[N+](C)(C)CCOC(=O)CCCCCCC(=O)OCC[N+](C)(C)C
Show InChI InChI=1S/C18H38N2O4/c1-19(2,3)13-15-23-17(21)11-9-7-8-10-12-18(22)24-16-14-20(4,5)6/h7-16H2,1-6H3/q+2
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13n/an/an/an/an/an/an/an/a



Barrow Neurological Institute

Curated by PDSP Ki Database




Mol Pharmacol 64: 1283-94 (2003)


Article DOI: 10.1124/mol.64.6.1283
BindingDB Entry DOI: 10.7270/Q2GF0S2V
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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13n/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))
BDBM50082864
PNG
(1-{5-[6-(2,4-Difluoro-phenyl)-2,4-dimethyl-5-methy...)
Show SMILES CNC(=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/C32H40F2N4O3/c1-22-28(30(39)35-3)29(26-14-13-25(33)21-27(26)34)38(23(2)36-22)18-10-6-9-17-37-19-15-32(16-20-37,31(40)41-4)24-11-7-5-8-12-24/h5,7-8,11-14,21,29H,6,9-10,15-20H2,1-4H3,(H,35,39)
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14n/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
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (Human))
BDBM50061567
PNG
(1,1-Dimethyl-4-phenyl-piperazin-1-ium | CHEMBL1347...)
Show SMILES C[N+]1(C)CCN(CC1)c1ccccc1
Show InChI InChI=1S/C12H19N2/c1-14(2)10-8-13(9-11-14)12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3/q+1
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20n/an/an/an/an/an/an/an/a



Barrow Neurological Institute

Curated by PDSP Ki Database




Mol Pharmacol 64: 1283-94 (2003)


Article DOI: 10.1124/mol.64.6.1283
BindingDB Entry DOI: 10.7270/Q2GF0S2V
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50082882
PNG
(1-{(R)-5-[4-(2-Carbamoyl-phenyl)-piperazin-1-yl]-4...)
Show SMILES COC(=O)C1=C(C)N=C(C)N(CCC[C@@H](C)CN2CCN(CC2)c2ccccc2C(N)=O)C1c1ccc(F)c(F)c1 |c:4,t:7|
Show InChI InChI=1S/C31H39F2N5O3/c1-20(19-36-14-16-37(17-15-36)27-10-6-5-9-24(27)30(34)39)8-7-13-38-22(3)35-21(2)28(31(40)41-4)29(38)23-11-12-25(32)26(33)18-23/h5-6,9-12,18,20,29H,7-8,13-17,19H2,1-4H3,(H2,34,39)/t20-,29?/m1/s1
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20n/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))
BDBM50082877
PNG
(1-[(R)-5-(4-Cyano-4-phenyl-piperidin-1-yl)-4-methy...)
Show SMILES COC(=O)C1=C(C)N=C(C)N(CCC[C@@H](C)CN2CCC(CC2)(C#N)c2ccccc2)C1c1ccc(F)c(F)c1 |c:4,t:7|
Show InChI InChI=1S/C32H38F2N4O2/c1-22(20-37-17-14-32(21-35,15-18-37)26-10-6-5-7-11-26)9-8-16-38-24(3)36-23(2)29(31(39)40-4)30(38)25-12-13-27(33)28(34)19-25/h5-7,10-13,19,22,30H,8-9,14-18,20H2,1-4H3/t22-,30?/m1/s1
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22n/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))
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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34n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against Alpha-1B 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))
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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65n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against Alpha-1D 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))
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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67n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against Alpha-1B 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))
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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79n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against Alpha-1D 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))
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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93n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against Alpha-1B 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))
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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100n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against Alpha-1B 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))
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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110n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against isolated human aorta 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))
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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120n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against Alpha-1D 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
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM10755
PNG
(14C-5-hydroxy tryptamine creatinine disulfate | 2-...)
Show SMILES NCCc1c[nH]c2ccc(O)cc12
Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
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130n/an/an/an/an/an/an/an/a



The University of Mississippi

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine form human cloned 5HT2C receptor expressed in african green monkey COS7 cells by scintillation spectroscopy


J Nat Prod 65: 476-80 (2002)


BindingDB Entry DOI: 10.7270/Q2QC0379
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(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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140n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against Alpha-1B 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))
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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140n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against Alpha-1B 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))
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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150n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against Alpha-1D 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
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (Human))
BDBM50004656
PNG
((2-Carbamoyloxy-ethyl)-trimethyl-ammonium | (2-Car...)
Show SMILES C[N+](C)(C)CCOC(N)=O
Show InChI InChI=1S/C6H14N2O2/c1-8(2,3)4-5-10-6(7)9/h4-5H2,1-3H3,(H-,7,9)/p+1
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150n/an/an/an/an/an/an/an/a



Barrow Neurological Institute

Curated by PDSP Ki Database




Mol Pharmacol 64: 1283-94 (2003)


Article DOI: 10.1124/mol.64.6.1283
BindingDB Entry DOI: 10.7270/Q2GF0S2V
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(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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160n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against Alpha-1B 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
Neuronal acetylcholine receptor subunit alpha-4


(Homo sapiens (Human))
BDBM8959
PNG
((2-Mercaptoethyl)trimethylammonium iodide acetate ...)
Show SMILES CC(=O)SCC[N+](C)(C)C
Show InChI InChI=1S/C7H16NOS/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1
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170n/an/an/an/an/an/an/an/a



Barrow Neurological Institute

Curated by PDSP Ki Database




Mol Pharmacol 64: 1283-94 (2003)


Article DOI: 10.1124/mol.64.6.1283
BindingDB Entry DOI: 10.7270/Q2GF0S2V
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(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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180n/an/an/an/an/an/an/an/a



Synaptic Pharmaceutical Corporation

Curated by ChEMBL


Assay Description
Binding affinity against Alpha-1B 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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