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PubMed code 12617901

Compile data set for download or QSAR
Found 23 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
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50124139
PNG
(CHEMBL167004 | [2-(3,4-Dihydro-1H-isoquinolin-2-yl...)
Show SMILES CN(C)c1ccnc(c1)N1CCc2ccccc2C1
Show InChI InChI=1S/C16H19N3/c1-18(2)15-7-9-17-16(11-15)19-10-8-13-5-3-4-6-14(13)12-19/h3-7,9,11H,8,10,12H2,1-2H3
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150n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-pirenzepine from M1 receptor


Bioorg Med Chem Lett 13: 829-32 (2003)


Article DOI: 10.1016/s0960-894x(03)00007-6
BindingDB Entry DOI: 10.7270/Q25M652M
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-1


(HUMAN-Homo sapiens (Human))
BDBM50124142
PNG
(CHEMBL166599 | [2-(3,4-Dihydro-1H-isoquinolin-2-yl...)
Show SMILES CNc1ccnc(c1)N1CCc2ccccc2C1
Show InChI InChI=1S/C15H17N3/c1-16-14-6-8-17-15(10-14)18-9-7-12-4-2-3-5-13(12)11-18/h2-6,8,10H,7,9,11H2,1H3,(H,16,17)
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430n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


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


Bioorg Med Chem Lett 13: 829-32 (2003)


Article DOI: 10.1016/s0960-894x(03)00007-6
BindingDB Entry DOI: 10.7270/Q25M652M
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-1


(HUMAN-Homo sapiens (Human))
BDBM50124139
PNG
(CHEMBL167004 | [2-(3,4-Dihydro-1H-isoquinolin-2-yl...)
Show SMILES CN(C)c1ccnc(c1)N1CCc2ccccc2C1
Show InChI InChI=1S/C16H19N3/c1-18(2)15-7-9-17-16(11-15)19-10-8-13-5-3-4-6-14(13)12-19/h3-7,9,11H,8,10,12H2,1-2H3
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490n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


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


Bioorg Med Chem Lett 13: 829-32 (2003)


Article DOI: 10.1016/s0960-894x(03)00007-6
BindingDB Entry DOI: 10.7270/Q25M652M
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50124134
PNG
(2-(3,4-Dihydro-1H-isoquinolin-2-yl)-6,7-dihydro-5H...)
Show SMILES Nc1cc(nc2CCCc12)N1CCc2ccccc2C1
Show InChI InChI=1S/C17H19N3/c18-15-10-17(19-16-7-3-6-14(15)16)20-9-8-12-4-1-2-5-13(12)11-20/h1-2,4-5,10H,3,6-9,11H2,(H2,18,19)
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510n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-pirenzepine from M1 receptor


Bioorg Med Chem Lett 13: 829-32 (2003)


Article DOI: 10.1016/s0960-894x(03)00007-6
BindingDB Entry DOI: 10.7270/Q25M652M
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-1


(HUMAN-Homo sapiens (Human))
BDBM50124137
PNG
(2-(3,4-Dihydro-1H-isoquinolin-2-yl)-6-ethyl-pyridi...)
Show SMILES CCc1cc(N)cc(n1)N1CCc2ccccc2C1
Show InChI InChI=1S/C16H19N3/c1-2-15-9-14(17)10-16(18-15)19-8-7-12-5-3-4-6-13(12)11-19/h3-6,9-10H,2,7-8,11H2,1H3,(H2,17,18)
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670n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


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


Bioorg Med Chem Lett 13: 829-32 (2003)


Article DOI: 10.1016/s0960-894x(03)00007-6
BindingDB Entry DOI: 10.7270/Q25M652M
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-1


(HUMAN-Homo sapiens (Human))
BDBM50124134
PNG
(2-(3,4-Dihydro-1H-isoquinolin-2-yl)-6,7-dihydro-5H...)
Show SMILES Nc1cc(nc2CCCc12)N1CCc2ccccc2C1
Show InChI InChI=1S/C17H19N3/c18-15-10-17(19-16-7-3-6-14(15)16)20-9-8-12-4-1-2-5-13(12)11-20/h1-2,4-5,10H,3,6-9,11H2,(H2,18,19)
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730n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


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


Bioorg Med Chem Lett 13: 829-32 (2003)


Article DOI: 10.1016/s0960-894x(03)00007-6
BindingDB Entry DOI: 10.7270/Q25M652M
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-1


(HUMAN-Homo sapiens (Human))
BDBM50124131
PNG
(2-(3,4-Dihydro-1H-isoquinolin-2-yl)-6-methyl-pyrid...)
Show SMILES Cc1cc(N)cc(n1)N1CCc2ccccc2C1
Show InChI InChI=1S/C15H17N3/c1-11-8-14(16)9-15(17-11)18-7-6-12-4-2-3-5-13(12)10-18/h2-5,8-9H,6-7,10H2,1H3,(H2,16,17)
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730n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


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


Bioorg Med Chem Lett 13: 829-32 (2003)


Article DOI: 10.1016/s0960-894x(03)00007-6
BindingDB Entry DOI: 10.7270/Q25M652M
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50124133
PNG
(2-(3,4-Dihydro-1H-isoquinolin-2-yl)-5-methyl-pyrid...)
Show SMILES Cc1cnc(cc1N)N1CCc2ccccc2C1
Show InChI InChI=1S/C15H17N3/c1-11-9-17-15(8-14(11)16)18-7-6-12-4-2-3-5-13(12)10-18/h2-5,8-9H,6-7,10H2,1H3,(H2,16,17)
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870n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-pirenzepine from M1 receptor


Bioorg Med Chem Lett 13: 829-32 (2003)


Article DOI: 10.1016/s0960-894x(03)00007-6
BindingDB Entry DOI: 10.7270/Q25M652M
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-1


(HUMAN-Homo sapiens (Human))
BDBM50124133
PNG
(2-(3,4-Dihydro-1H-isoquinolin-2-yl)-5-methyl-pyrid...)
Show SMILES Cc1cnc(cc1N)N1CCc2ccccc2C1
Show InChI InChI=1S/C15H17N3/c1-11-9-17-15(8-14(11)16)18-7-6-12-4-2-3-5-13(12)10-18/h2-5,8-9H,6-7,10H2,1H3,(H2,16,17)
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1.00E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


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


Bioorg Med Chem Lett 13: 829-32 (2003)


Article DOI: 10.1016/s0960-894x(03)00007-6
BindingDB Entry DOI: 10.7270/Q25M652M
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50124140
PNG
(CHEMBL354482 | [4-Amino-6-(3,4-dihydro-1H-isoquino...)
Show SMILES Nc1cc(CO)nc(c1)N1CCc2ccccc2C1
Show InChI InChI=1S/C15H17N3O/c16-13-7-14(10-19)17-15(8-13)18-6-5-11-3-1-2-4-12(11)9-18/h1-4,7-8,19H,5-6,9-10H2,(H2,16,17)
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1.10E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-pirenzepine from M1 receptor


Bioorg Med Chem Lett 13: 829-32 (2003)


Article DOI: 10.1016/s0960-894x(03)00007-6
BindingDB Entry DOI: 10.7270/Q25M652M
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50124142
PNG
(CHEMBL166599 | [2-(3,4-Dihydro-1H-isoquinolin-2-yl...)
Show SMILES CNc1ccnc(c1)N1CCc2ccccc2C1
Show InChI InChI=1S/C15H17N3/c1-16-14-6-8-17-15(10-14)18-9-7-12-4-2-3-5-13(12)11-18/h2-6,8,10H,7,9,11H2,1H3,(H,16,17)
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1.20E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-pirenzepine from M1 receptor


Bioorg Med Chem Lett 13: 829-32 (2003)


Article DOI: 10.1016/s0960-894x(03)00007-6
BindingDB Entry DOI: 10.7270/Q25M652M
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-1


(HUMAN-Homo sapiens (Human))
BDBM50124144
PNG
(2-(3,4-Dihydro-1H-isoquinolin-2-yl)-pyridin-4-ylam...)
Show SMILES Nc1ccnc(c1)N1CCc2ccccc2C1
Show InChI InChI=1S/C14H15N3/c15-13-5-7-16-14(9-13)17-8-6-11-3-1-2-4-12(11)10-17/h1-5,7,9H,6,8,10H2,(H2,15,16)
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1.20E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


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


Bioorg Med Chem Lett 13: 829-32 (2003)


Article DOI: 10.1016/s0960-894x(03)00007-6
BindingDB Entry DOI: 10.7270/Q25M652M
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-1


(HUMAN-Homo sapiens (Human))
BDBM50124140
PNG
(CHEMBL354482 | [4-Amino-6-(3,4-dihydro-1H-isoquino...)
Show SMILES Nc1cc(CO)nc(c1)N1CCc2ccccc2C1
Show InChI InChI=1S/C15H17N3O/c16-13-7-14(10-19)17-15(8-13)18-6-5-11-3-1-2-4-12(11)9-18/h1-4,7-8,19H,5-6,9-10H2,(H2,16,17)
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1.70E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


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


Bioorg Med Chem Lett 13: 829-32 (2003)


Article DOI: 10.1016/s0960-894x(03)00007-6
BindingDB Entry DOI: 10.7270/Q25M652M
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-1


(HUMAN-Homo sapiens (Human))
BDBM50124142
PNG
(CHEMBL166599 | [2-(3,4-Dihydro-1H-isoquinolin-2-yl...)
Show SMILES CNc1ccnc(c1)N1CCc2ccccc2C1
Show InChI InChI=1S/C15H17N3/c1-16-14-6-8-17-15(10-14)18-9-7-12-4-2-3-5-13(12)11-18/h2-6,8,10H,7,9,11H2,1H3,(H,16,17)
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1.80E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


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


Bioorg Med Chem Lett 13: 829-32 (2003)


Article DOI: 10.1016/s0960-894x(03)00007-6
BindingDB Entry DOI: 10.7270/Q25M652M
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50124144
PNG
(2-(3,4-Dihydro-1H-isoquinolin-2-yl)-pyridin-4-ylam...)
Show SMILES Nc1ccnc(c1)N1CCc2ccccc2C1
Show InChI InChI=1S/C14H15N3/c15-13-5-7-16-14(9-13)17-8-6-11-3-1-2-4-12(11)10-17/h1-5,7,9H,6,8,10H2,(H2,15,16)
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1.90E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-pirenzepine from M1 receptor


Bioorg Med Chem Lett 13: 829-32 (2003)


Article DOI: 10.1016/s0960-894x(03)00007-6
BindingDB Entry DOI: 10.7270/Q25M652M
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-1


(HUMAN-Homo sapiens (Human))
BDBM50124145
PNG
(2-[2-(3,4-Dihydro-1H-isoquinolin-2-yl)-pyridin-4-y...)
Show SMILES OCCNc1ccnc(c1)N1CCc2ccccc2C1
Show InChI InChI=1S/C16H19N3O/c20-10-8-17-15-5-7-18-16(11-15)19-9-6-13-3-1-2-4-14(13)12-19/h1-5,7,11,20H,6,8-10,12H2,(H,17,18)
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2.30E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


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


Bioorg Med Chem Lett 13: 829-32 (2003)


Article DOI: 10.1016/s0960-894x(03)00007-6
BindingDB Entry DOI: 10.7270/Q25M652M
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50124137
PNG
(2-(3,4-Dihydro-1H-isoquinolin-2-yl)-6-ethyl-pyridi...)
Show SMILES CCc1cc(N)cc(n1)N1CCc2ccccc2C1
Show InChI InChI=1S/C16H19N3/c1-2-15-9-14(17)10-16(18-15)19-8-7-12-5-3-4-6-13(12)11-19/h3-6,9-10H,2,7-8,11H2,1H3,(H2,17,18)
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2.50E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-pirenzepine from M1 receptor


Bioorg Med Chem Lett 13: 829-32 (2003)


Article DOI: 10.1016/s0960-894x(03)00007-6
BindingDB Entry DOI: 10.7270/Q25M652M
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50124131
PNG
(2-(3,4-Dihydro-1H-isoquinolin-2-yl)-6-methyl-pyrid...)
Show SMILES Cc1cc(N)cc(n1)N1CCc2ccccc2C1
Show InChI InChI=1S/C15H17N3/c1-11-8-14(16)9-15(17-11)18-7-6-12-4-2-3-5-13(12)10-18/h2-5,8-9H,6-7,10H2,1H3,(H2,16,17)
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2.60E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-pirenzepine from M1 receptor


Bioorg Med Chem Lett 13: 829-32 (2003)


Article DOI: 10.1016/s0960-894x(03)00007-6
BindingDB Entry DOI: 10.7270/Q25M652M
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-1


(HUMAN-Homo sapiens (Human))
BDBM50124136
PNG
(2-[2-(3,4-Dihydro-1H-isoquinolin-2-yl)-5-methyl-py...)
Show SMILES Cc1cnc(cc1NCCO)N1CCc2ccccc2C1
Show InChI InChI=1S/C17H21N3O/c1-13-11-19-17(10-16(13)18-7-9-21)20-8-6-14-4-2-3-5-15(14)12-20/h2-5,10-11,21H,6-9,12H2,1H3,(H,18,19)
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3.20E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


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


Bioorg Med Chem Lett 13: 829-32 (2003)


Article DOI: 10.1016/s0960-894x(03)00007-6
BindingDB Entry DOI: 10.7270/Q25M652M
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-1


(HUMAN-Homo sapiens (Human))
BDBM50124151
PNG
(2-[2-(3,4-Dihydro-1H-isoquinolin-2-yl)-6-methyl-py...)
Show SMILES Cc1cc(NCCO)cc(n1)N1CCc2ccccc2C1
Show InChI InChI=1S/C17H21N3O/c1-13-10-16(18-7-9-21)11-17(19-13)20-8-6-14-4-2-3-5-15(14)12-20/h2-5,10-11,21H,6-9,12H2,1H3,(H,18,19)
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3.30E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


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


Bioorg Med Chem Lett 13: 829-32 (2003)


Article DOI: 10.1016/s0960-894x(03)00007-6
BindingDB Entry DOI: 10.7270/Q25M652M
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50124151
PNG
(2-[2-(3,4-Dihydro-1H-isoquinolin-2-yl)-6-methyl-py...)
Show SMILES Cc1cc(NCCO)cc(n1)N1CCc2ccccc2C1
Show InChI InChI=1S/C17H21N3O/c1-13-10-16(18-7-9-21)11-17(19-13)20-8-6-14-4-2-3-5-15(14)12-20/h2-5,10-11,21H,6-9,12H2,1H3,(H,18,19)
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3.80E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-pirenzepine from M1 receptor


Bioorg Med Chem Lett 13: 829-32 (2003)


Article DOI: 10.1016/s0960-894x(03)00007-6
BindingDB Entry DOI: 10.7270/Q25M652M
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50124145
PNG
(2-[2-(3,4-Dihydro-1H-isoquinolin-2-yl)-pyridin-4-y...)
Show SMILES OCCNc1ccnc(c1)N1CCc2ccccc2C1
Show InChI InChI=1S/C16H19N3O/c20-10-8-17-15-5-7-18-16(11-15)19-9-6-13-3-1-2-4-14(13)12-19/h1-5,7,11,20H,6,8-10,12H2,(H,17,18)
UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
6.10E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-pirenzepine from M1 receptor


Bioorg Med Chem Lett 13: 829-32 (2003)


Article DOI: 10.1016/s0960-894x(03)00007-6
BindingDB Entry DOI: 10.7270/Q25M652M
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50124136
PNG
(2-[2-(3,4-Dihydro-1H-isoquinolin-2-yl)-5-methyl-py...)
Show SMILES Cc1cnc(cc1NCCO)N1CCc2ccccc2C1
Show InChI InChI=1S/C17H21N3O/c1-13-11-19-17(10-16(13)18-7-9-21)20-8-6-14-4-2-3-5-15(14)12-20/h2-5,10-11,21H,6-9,12H2,1H3,(H,18,19)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
6.50E+3n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]-pirenzepine from M1 receptor


Bioorg Med Chem Lett 13: 829-32 (2003)


Article DOI: 10.1016/s0960-894x(03)00007-6
BindingDB Entry DOI: 10.7270/Q25M652M
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%