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PubMed code 11514163

Compile data set for download or QSAR
Found 14 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Adrenergic receptor alpha-1


(HUMAN-Homo sapiens (Human))
BDBM50218779
PNG
(CHEMBL306899)
Show SMILES OC(CCN1CCC(Cc2ccccc2)CC1)c1ccc(O)cc1
Show InChI InChI=1S/C21H27NO2/c23-20-8-6-19(7-9-20)21(24)12-15-22-13-10-18(11-14-22)16-17-4-2-1-3-5-17/h1-9,18,21,23-24H,10-16H2
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24n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Alpha-1 adrenergic receptor by displacing [3H]prazosin radioligand


Bioorg Med Chem Lett 11: 2173-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00392-4
BindingDB Entry DOI: 10.7270/Q2GF0SS8
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-1


(HUMAN-Homo sapiens (Human))
BDBM50218777
PNG
(CHEMBL66626)
Show SMILES CC(CN1CCC(Cc2ccccc2)CC1)Cc1ccc(O)cc1
Show InChI InChI=1S/C22H29NO/c1-18(15-20-7-9-22(24)10-8-20)17-23-13-11-21(12-14-23)16-19-5-3-2-4-6-19/h2-10,18,21,24H,11-17H2,1H3
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92n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Alpha-1 adrenergic receptor by displacing [3H]prazosin radioligand


Bioorg Med Chem Lett 11: 2173-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00392-4
BindingDB Entry DOI: 10.7270/Q2GF0SS8
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-1


(HUMAN-Homo sapiens (Human))
BDBM50080029
PNG
(4-((1R,2S)-3-(4-benzylpiperidin-1-yl)-1-hydroxy-2-...)
Show SMILES C[C@@H](CN1CCC(Cc2ccccc2)CC1)[C@@H](O)c1ccc(O)cc1
Show InChI InChI=1S/C22H29NO2/c1-17(22(25)20-7-9-21(24)10-8-20)16-23-13-11-19(12-14-23)15-18-5-3-2-4-6-18/h2-10,17,19,22,24-25H,11-16H2,1H3/t17-,22+/m0/s1
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180n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Alpha-1 adrenergic receptor by displacing [3H]prazosin radioligand


Bioorg Med Chem Lett 11: 2173-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00392-4
BindingDB Entry DOI: 10.7270/Q2GF0SS8
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-1


(HUMAN-Homo sapiens (Human))
BDBM50218774
PNG
(CHEMBL68831)
Show SMILES OC(CN1CCC(Cc2ccccc2)CC1)Cc1ccc(O)cc1
Show InChI InChI=1S/C21H27NO2/c23-20-8-6-18(7-9-20)15-21(24)16-22-12-10-19(11-13-22)14-17-4-2-1-3-5-17/h1-9,19,21,23-24H,10-16H2
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305n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Alpha-1 adrenergic receptor by displacing [3H]prazosin radioligand


Bioorg Med Chem Lett 11: 2173-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00392-4
BindingDB Entry DOI: 10.7270/Q2GF0SS8
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-1


(HUMAN-Homo sapiens (Human))
BDBM50218782
PNG
(CHEMBL70615)
Show SMILES COC(CN1CCC(Cc2ccccc2)CC1)Cc1ccc(O)cc1
Show InChI InChI=1S/C22H29NO2/c1-25-22(16-19-7-9-21(24)10-8-19)17-23-13-11-20(12-14-23)15-18-5-3-2-4-6-18/h2-10,20,22,24H,11-17H2,1H3
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305n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Alpha-1 adrenergic receptor by displacing [3H]prazosin radioligand


Bioorg Med Chem Lett 11: 2173-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00392-4
BindingDB Entry DOI: 10.7270/Q2GF0SS8
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-1


(HUMAN-Homo sapiens (Human))
BDBM50218781
PNG
(CHEMBL69219)
Show SMILES Oc1ccc(CC(=O)CN2CCC(Cc3ccccc3)CC2)cc1
Show InChI InChI=1S/C21H25NO2/c23-20-8-6-18(7-9-20)15-21(24)16-22-12-10-19(11-13-22)14-17-4-2-1-3-5-17/h1-9,19,23H,10-16H2
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610n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Alpha-1 adrenergic receptor by displacing [3H]prazosin radioligand


Bioorg Med Chem Lett 11: 2173-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00392-4
BindingDB Entry DOI: 10.7270/Q2GF0SS8
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-1


(HUMAN-Homo sapiens (Human))
BDBM50218780
PNG
(CHEMBL302292)
Show SMILES OC(CN1CCC(O)(Cc2ccc(Br)cc2)CC1)Cc1ccc(O)cc1
Show InChI InChI=1S/C21H26BrNO3/c22-18-5-1-17(2-6-18)14-21(26)9-11-23(12-10-21)15-20(25)13-16-3-7-19(24)8-4-16/h1-8,20,24-26H,9-15H2
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2.44E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Alpha-1 adrenergic receptor by displacing [3H]prazosin radioligand


Bioorg Med Chem Lett 11: 2173-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00392-4
BindingDB Entry DOI: 10.7270/Q2GF0SS8
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-1


(HUMAN-Homo sapiens (Human))
BDBM50218778
PNG
(CHEMBL65954)
Show SMILES OC(CN1CCC(O)(Cc2ccccc2)CC1)Cc1ccc(O)cc1
Show InChI InChI=1S/C21H27NO3/c23-19-8-6-17(7-9-19)14-20(24)16-22-12-10-21(25,11-13-22)15-18-4-2-1-3-5-18/h1-9,20,23-25H,10-16H2
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4.51E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Alpha-1 adrenergic receptor by displacing [3H]prazosin radioligand


Bioorg Med Chem Lett 11: 2173-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00392-4
BindingDB Entry DOI: 10.7270/Q2GF0SS8
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-1


(HUMAN-Homo sapiens (Human))
BDBM50218775
PNG
(CHEMBL69429)
Show SMILES OC(CN1CCC(O)(Cc2ccc(Cl)cc2)CC1)Cc1ccc(O)cc1
Show InChI InChI=1S/C21H26ClNO3/c22-18-5-1-17(2-6-18)14-21(26)9-11-23(12-10-21)15-20(25)13-16-3-7-19(24)8-4-16/h1-8,20,24-26H,9-15H2
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5.61E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Alpha-1 adrenergic receptor by displacing [3H]prazosin radioligand


Bioorg Med Chem Lett 11: 2173-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00392-4
BindingDB Entry DOI: 10.7270/Q2GF0SS8
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-1


(HUMAN-Homo sapiens (Human))
BDBM50218776
PNG
(CHEMBL68881)
Show SMILES Cc1ccc(CC2(O)CCN(CC(O)Cc3ccc(O)cc3)CC2)cc1
Show InChI InChI=1S/C22H29NO3/c1-17-2-4-19(5-3-17)15-22(26)10-12-23(13-11-22)16-21(25)14-18-6-8-20(24)9-7-18/h2-9,21,24-26H,10-16H2,1H3
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5.92E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Alpha-1 adrenergic receptor by displacing [3H]prazosin radioligand


Bioorg Med Chem Lett 11: 2173-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00392-4
BindingDB Entry DOI: 10.7270/Q2GF0SS8
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50103131
PNG
(1-[(S)-2-Hydroxy-3-(4-hydroxy-phenyl)-propyl]-4-(4...)
Show SMILES Cc1ccc(CC2(O)CCN(C[C@@H](O)Cc3ccc(O)cc3)CC2)cc1
Show InChI InChI=1S/C22H29NO3/c1-17-2-4-19(5-3-17)15-22(26)10-12-23(13-11-22)16-21(25)14-18-6-8-20(24)9-7-18/h2-9,21,24-26H,10-16H2,1H3/t21-/m0/s1
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7.30E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Alpha-1 adrenergic receptor by displacing [3H]-prazosin radioligand


Bioorg Med Chem Lett 11: 2173-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00392-4
BindingDB Entry DOI: 10.7270/Q2GF0SS8
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50103133
PNG
(1-[(R)-2-Hydroxy-3-(4-hydroxy-phenyl)-propyl]-4-(4...)
Show SMILES Cc1ccc(CC2(O)CCN(C[C@H](O)Cc3ccc(O)cc3)CC2)cc1
Show InChI InChI=1S/C22H29NO3/c1-17-2-4-19(5-3-17)15-22(26)10-12-23(13-11-22)16-21(25)14-18-6-8-20(24)9-7-18/h2-9,21,24-26H,10-16H2,1H3/t21-/m1/s1
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7.30E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Alpha-1 adrenergic receptor by displacing [3H]-prazosin radioligand


Bioorg Med Chem Lett 11: 2173-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00392-4
BindingDB Entry DOI: 10.7270/Q2GF0SS8
More data for this
Ligand-Target Pair
N-methyl D-aspartate receptor subtype 2B (NMDA)(NR2B)


(Rattus norvegicus (Rat))
BDBM50103133
PNG
(1-[(R)-2-Hydroxy-3-(4-hydroxy-phenyl)-propyl]-4-(4...)
Show SMILES Cc1ccc(CC2(O)CCN(C[C@H](O)Cc3ccc(O)cc3)CC2)cc1
Show InChI InChI=1S/C22H29NO3/c1-17-2-4-19(5-3-17)15-22(26)10-12-23(13-11-22)16-21(25)14-18-6-8-20(24)9-7-18/h2-9,21,24-26H,10-16H2,1H3/t21-/m1/s1
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n/an/a 19n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Evaluated for in vitro inhibition of recombinant rat NR1C/2B receptor expressed in xenopus oocytes


Bioorg Med Chem Lett 11: 2173-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00392-4
BindingDB Entry DOI: 10.7270/Q2GF0SS8
More data for this
Ligand-Target Pair
NMDA receptor subunit N2A (GluN2A)


(Rattus norvegicus (Rat))
BDBM50103133
PNG
(1-[(R)-2-Hydroxy-3-(4-hydroxy-phenyl)-propyl]-4-(4...)
Show SMILES Cc1ccc(CC2(O)CCN(C[C@H](O)Cc3ccc(O)cc3)CC2)cc1
Show InChI InChI=1S/C22H29NO3/c1-17-2-4-19(5-3-17)15-22(26)10-12-23(13-11-22)16-21(25)14-18-6-8-20(24)9-7-18/h2-9,21,24-26H,10-16H2,1H3/t21-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Evaluated for in vitro inhibition of recombinant rat NR1C/2A receptor expressed in xenopus oocytes


Bioorg Med Chem Lett 11: 2173-6 (2001)


Article DOI: 10.1016/s0960-894x(01)00392-4
BindingDB Entry DOI: 10.7270/Q2GF0SS8
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%