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Compile Data Set for Download or QSAR

Found 21 hits with Last Name = 'mella' and Initial = 'm'   
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-1B adrenergic receptor


(Homo sapiens (Human))
BDBM29568
PNG
(CHEMBL2 | PRAZOSIN | PRAZOSIN HYDROCHLORIDE | [3H]...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1
Show InChI InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)
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0.280n/an/an/an/an/an/an/an/a



Università di Milano

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity on [3H]- prazosin as specific ligand on Human cloned alpha-1B adrenergic receptor in CHO cells


J Med Chem 42: 173-7 (1999)


Article DOI: 10.1021/jm981006q
BindingDB Entry DOI: 10.7270/Q22J6B05
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM29568
PNG
(CHEMBL2 | PRAZOSIN | PRAZOSIN HYDROCHLORIDE | [3H]...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1
Show InChI InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)
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0.290n/an/an/an/an/an/an/an/a



Università di Milano

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity on [3H]- prazosin as specific ligand on Human cloned alpha-1D adrenergic receptor in CHO cells


J Med Chem 42: 173-7 (1999)


Article DOI: 10.1021/jm981006q
BindingDB Entry DOI: 10.7270/Q22J6B05
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM29568
PNG
(CHEMBL2 | PRAZOSIN | PRAZOSIN HYDROCHLORIDE | [3H]...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1
Show InChI InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)
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0.580n/an/an/an/an/an/an/an/a



Università di Milano

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity on [3H]- prazosin as specific ligand on Human cloned alpha-1A adrenergic receptor expressed in CHO cells


J Med Chem 42: 173-7 (1999)


Article DOI: 10.1021/jm981006q
BindingDB Entry DOI: 10.7270/Q22J6B05
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50073026
PNG
(5-Acetyl-4-amino-2-{2-[4-(2-methoxy-phenyl)-pipera...)
Show SMILES COc1ccccc1N1CCN(CCn2nc(-c3ccccc3)c(C(C)=O)c(N)c2=O)CC1
Show InChI InChI=1S/C25H29N5O3/c1-18(31)22-23(26)25(32)30(27-24(22)19-8-4-3-5-9-19)17-14-28-12-15-29(16-13-28)20-10-6-7-11-21(20)33-2/h3-11H,12-17,26H2,1-2H3
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0.930n/an/an/an/an/an/an/an/a



Università di Milano

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity on [3H]- prazosin as specific ligand on Human cloned alpha-1D adrenergic receptor in CHO cells


J Med Chem 42: 173-7 (1999)


Article DOI: 10.1021/jm981006q
BindingDB Entry DOI: 10.7270/Q22J6B05
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50073025
PNG
(8-Chloro-2-{2-[4-(2-methoxy-phenyl)-piperazin-1-yl...)
Show SMILES COc1ccccc1N1CCN(CCNc2ccc3c4c(cn3n2)c(Cl)nn(C)c4=O)CC1
Show InChI InChI=1S/C23H26ClN7O2/c1-28-23(32)21-16(22(24)27-28)15-31-18(21)7-8-20(26-31)25-9-10-29-11-13-30(14-12-29)17-5-3-4-6-19(17)33-2/h3-8,15H,9-14H2,1-2H3,(H,25,26)
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1.10n/an/an/an/an/an/an/an/a



Università di Milano

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity on [3H]- prazosin as specific ligand on Human cloned alpha-1A adrenergic receptor expressed in CHO cells


J Med Chem 42: 173-7 (1999)


Article DOI: 10.1021/jm981006q
BindingDB Entry DOI: 10.7270/Q22J6B05
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50073028
PNG
(8-Chloro-6-methyl-2-[2-(4-phenyl-piperazin-1-yl)-e...)
Show SMILES Cn1nc(Cl)c2cn3nc(NCCN4CCN(CC4)c4ccccc4)ccc3c2c1=O
Show InChI InChI=1S/C22H24ClN7O/c1-27-22(31)20-17(21(23)26-27)15-30-18(20)7-8-19(25-30)24-9-10-28-11-13-29(14-12-28)16-5-3-2-4-6-16/h2-8,15H,9-14H2,1H3,(H,24,25)
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1.93n/an/an/an/an/an/an/an/a



Università di Milano

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity on [3H]- prazosin as specific ligand on Human cloned alpha-1A adrenergic receptor expressed in CHO cells


J Med Chem 42: 173-7 (1999)


Article DOI: 10.1021/jm981006q
BindingDB Entry DOI: 10.7270/Q22J6B05
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM21393
PNG
(7-(dipropylamino)-5,6,7,8-tetrahydronaphthalen-1-o...)
Show SMILES CCCN(CCC)C1CCc2cccc(O)c2C1
Show InChI InChI=1S/C16H25NO/c1-3-10-17(11-4-2)14-9-8-13-6-5-7-16(18)15(13)12-14/h5-7,14,18H,3-4,8-12H2,1-2H3
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2.33n/an/an/an/an/an/an/an/a



Università di Milano

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity on [3H]-8-OH-DPAT as specific ligand on 5-hydroxytryptamine 1A receptor in rat hippocampus


J Med Chem 42: 173-7 (1999)


Article DOI: 10.1021/jm981006q
BindingDB Entry DOI: 10.7270/Q22J6B05
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50073025
PNG
(8-Chloro-2-{2-[4-(2-methoxy-phenyl)-piperazin-1-yl...)
Show SMILES COc1ccccc1N1CCN(CCNc2ccc3c4c(cn3n2)c(Cl)nn(C)c4=O)CC1
Show InChI InChI=1S/C23H26ClN7O2/c1-28-23(32)21-16(22(24)27-28)15-31-18(21)7-8-20(26-31)25-9-10-29-11-13-30(14-12-29)17-5-3-4-6-19(17)33-2/h3-8,15H,9-14H2,1-2H3,(H,25,26)
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3.04n/an/an/an/an/an/an/an/a



Università di Milano

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity on [3H]- prazosin as specific ligand on Human cloned alpha-1D adrenergic receptor in CHO cells


J Med Chem 42: 173-7 (1999)


Article DOI: 10.1021/jm981006q
BindingDB Entry DOI: 10.7270/Q22J6B05
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50073026
PNG
(5-Acetyl-4-amino-2-{2-[4-(2-methoxy-phenyl)-pipera...)
Show SMILES COc1ccccc1N1CCN(CCn2nc(-c3ccccc3)c(C(C)=O)c(N)c2=O)CC1
Show InChI InChI=1S/C25H29N5O3/c1-18(31)22-23(26)25(32)30(27-24(22)19-8-4-3-5-9-19)17-14-28-12-15-29(16-13-28)20-10-6-7-11-21(20)33-2/h3-11H,12-17,26H2,1-2H3
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4.75n/an/an/an/an/an/an/an/a



Università di Milano

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity on [3H]- prazosin as specific ligand on Human cloned alpha-1A adrenergic receptor expressed in CHO cells


J Med Chem 42: 173-7 (1999)


Article DOI: 10.1021/jm981006q
BindingDB Entry DOI: 10.7270/Q22J6B05
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50073027
PNG
(8-Chloro-2-{2-[4-(2-chloro-phenyl)-piperazin-1-yl]...)
Show SMILES Cn1nc(Cl)c2cn3nc(NCCN4CCN(CC4)c4ccccc4Cl)ccc3c2c1=O
Show InChI InChI=1S/C22H23Cl2N7O/c1-28-22(32)20-15(21(24)27-28)14-31-18(20)6-7-19(26-31)25-8-9-29-10-12-30(13-11-29)17-5-3-2-4-16(17)23/h2-7,14H,8-13H2,1H3,(H,25,26)
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5.93n/an/an/an/an/an/an/an/a



Università di Milano

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity on [3H]- prazosin as specific ligand on Human cloned alpha-1A adrenergic receptor expressed in CHO cells


J Med Chem 42: 173-7 (1999)


Article DOI: 10.1021/jm981006q
BindingDB Entry DOI: 10.7270/Q22J6B05
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50073028
PNG
(8-Chloro-6-methyl-2-[2-(4-phenyl-piperazin-1-yl)-e...)
Show SMILES Cn1nc(Cl)c2cn3nc(NCCN4CCN(CC4)c4ccccc4)ccc3c2c1=O
Show InChI InChI=1S/C22H24ClN7O/c1-27-22(31)20-17(21(23)26-27)15-30-18(20)7-8-19(25-30)24-9-10-28-11-13-29(14-12-28)16-5-3-2-4-6-16/h2-8,15H,9-14H2,1H3,(H,24,25)
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6.59n/an/an/an/an/an/an/an/a



Università di Milano

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity on [3H]- prazosin as specific ligand on Human cloned alpha-1D adrenergic receptor in CHO cells


J Med Chem 42: 173-7 (1999)


Article DOI: 10.1021/jm981006q
BindingDB Entry DOI: 10.7270/Q22J6B05
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50073027
PNG
(8-Chloro-2-{2-[4-(2-chloro-phenyl)-piperazin-1-yl]...)
Show SMILES Cn1nc(Cl)c2cn3nc(NCCN4CCN(CC4)c4ccccc4Cl)ccc3c2c1=O
Show InChI InChI=1S/C22H23Cl2N7O/c1-28-22(32)20-15(21(24)27-28)14-31-18(20)6-7-19(26-31)25-8-9-29-10-12-30(13-11-29)17-5-3-2-4-16(17)23/h2-7,14H,8-13H2,1H3,(H,25,26)
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11.9n/an/an/an/an/an/an/an/a



Università di Milano

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity on [3H]- prazosin as specific ligand on Human cloned alpha-1D adrenergic receptor in CHO cells


J Med Chem 42: 173-7 (1999)


Article DOI: 10.1021/jm981006q
BindingDB Entry DOI: 10.7270/Q22J6B05
More data for this
Ligand-Target Pair
Alpha-1B adrenergic receptor


(Homo sapiens (Human))
BDBM50073027
PNG
(8-Chloro-2-{2-[4-(2-chloro-phenyl)-piperazin-1-yl]...)
Show SMILES Cn1nc(Cl)c2cn3nc(NCCN4CCN(CC4)c4ccccc4Cl)ccc3c2c1=O
Show InChI InChI=1S/C22H23Cl2N7O/c1-28-22(32)20-15(21(24)27-28)14-31-18(20)6-7-19(26-31)25-8-9-29-10-12-30(13-11-29)17-5-3-2-4-16(17)23/h2-7,14H,8-13H2,1H3,(H,25,26)
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13.6n/an/an/an/an/an/an/an/a



Università di Milano

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity on [3H]- prazosin as specific ligand on Human cloned alpha-1B adrenergic receptor in CHO cells


J Med Chem 42: 173-7 (1999)


Article DOI: 10.1021/jm981006q
BindingDB Entry DOI: 10.7270/Q22J6B05
More data for this
Ligand-Target Pair
Alpha-1B adrenergic receptor


(Homo sapiens (Human))
BDBM50073025
PNG
(8-Chloro-2-{2-[4-(2-methoxy-phenyl)-piperazin-1-yl...)
Show SMILES COc1ccccc1N1CCN(CCNc2ccc3c4c(cn3n2)c(Cl)nn(C)c4=O)CC1
Show InChI InChI=1S/C23H26ClN7O2/c1-28-23(32)21-16(22(24)27-28)15-31-18(21)7-8-20(26-31)25-9-10-29-11-13-30(14-12-29)17-5-3-4-6-19(17)33-2/h3-8,15H,9-14H2,1-2H3,(H,25,26)
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15.2n/an/an/an/an/an/an/an/a



Università di Milano

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity on [3H]- prazosin as specific ligand on Human cloned alpha-1B adrenergic receptor in CHO cells


J Med Chem 42: 173-7 (1999)


Article DOI: 10.1021/jm981006q
BindingDB Entry DOI: 10.7270/Q22J6B05
More data for this
Ligand-Target Pair
Alpha-1B adrenergic receptor


(Homo sapiens (Human))
BDBM50073028
PNG
(8-Chloro-6-methyl-2-[2-(4-phenyl-piperazin-1-yl)-e...)
Show SMILES Cn1nc(Cl)c2cn3nc(NCCN4CCN(CC4)c4ccccc4)ccc3c2c1=O
Show InChI InChI=1S/C22H24ClN7O/c1-27-22(31)20-17(21(23)26-27)15-30-18(20)7-8-19(25-30)24-9-10-28-11-13-29(14-12-28)16-5-3-2-4-6-16/h2-8,15H,9-14H2,1H3,(H,24,25)
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15.6n/an/an/an/an/an/an/an/a



Università di Milano

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity on [3H]- prazosin as specific ligand on Human cloned alpha-1B adrenergic receptor in CHO cells


J Med Chem 42: 173-7 (1999)


Article DOI: 10.1021/jm981006q
BindingDB Entry DOI: 10.7270/Q22J6B05
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50073025
PNG
(8-Chloro-2-{2-[4-(2-methoxy-phenyl)-piperazin-1-yl...)
Show SMILES COc1ccccc1N1CCN(CCNc2ccc3c4c(cn3n2)c(Cl)nn(C)c4=O)CC1
Show InChI InChI=1S/C23H26ClN7O2/c1-28-23(32)21-16(22(24)27-28)15-31-18(21)7-8-20(26-31)25-9-10-29-11-13-30(14-12-29)17-5-3-4-6-19(17)33-2/h3-8,15H,9-14H2,1-2H3,(H,25,26)
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16.3n/an/an/an/an/an/an/an/a



Università di Milano

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity on [3H]-8-OH-DPAT as specific ligand on 5-hydroxytryptamine 1A receptor in rat hippocampus


J Med Chem 42: 173-7 (1999)


Article DOI: 10.1021/jm981006q
BindingDB Entry DOI: 10.7270/Q22J6B05
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50073028
PNG
(8-Chloro-6-methyl-2-[2-(4-phenyl-piperazin-1-yl)-e...)
Show SMILES Cn1nc(Cl)c2cn3nc(NCCN4CCN(CC4)c4ccccc4)ccc3c2c1=O
Show InChI InChI=1S/C22H24ClN7O/c1-27-22(31)20-17(21(23)26-27)15-30-18(20)7-8-19(25-30)24-9-10-28-11-13-29(14-12-28)16-5-3-2-4-6-16/h2-8,15H,9-14H2,1H3,(H,24,25)
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21.2n/an/an/an/an/an/an/an/a



Università di Milano

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity on [3H]-8-OH-DPAT as specific ligand on 5-hydroxytryptamine 1A receptor in rat hippocampus


J Med Chem 42: 173-7 (1999)


Article DOI: 10.1021/jm981006q
BindingDB Entry DOI: 10.7270/Q22J6B05
More data for this
Ligand-Target Pair
Alpha-1B adrenergic receptor


(Homo sapiens (Human))
BDBM50073026
PNG
(5-Acetyl-4-amino-2-{2-[4-(2-methoxy-phenyl)-pipera...)
Show SMILES COc1ccccc1N1CCN(CCn2nc(-c3ccccc3)c(C(C)=O)c(N)c2=O)CC1
Show InChI InChI=1S/C25H29N5O3/c1-18(31)22-23(26)25(32)30(27-24(22)19-8-4-3-5-9-19)17-14-28-12-15-29(16-13-28)20-10-6-7-11-21(20)33-2/h3-11H,12-17,26H2,1-2H3
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22.1n/an/an/an/an/an/an/an/a



Università di Milano

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity on [3H]- prazosin as specific ligand on Human cloned alpha-1B adrenergic receptor in CHO cells


J Med Chem 42: 173-7 (1999)


Article DOI: 10.1021/jm981006q
BindingDB Entry DOI: 10.7270/Q22J6B05
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50073027
PNG
(8-Chloro-2-{2-[4-(2-chloro-phenyl)-piperazin-1-yl]...)
Show SMILES Cn1nc(Cl)c2cn3nc(NCCN4CCN(CC4)c4ccccc4Cl)ccc3c2c1=O
Show InChI InChI=1S/C22H23Cl2N7O/c1-28-22(32)20-15(21(24)27-28)14-31-18(20)6-7-19(26-31)25-8-9-29-10-12-30(13-11-29)17-5-3-2-4-16(17)23/h2-7,14H,8-13H2,1H3,(H,25,26)
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56.5n/an/an/an/an/an/an/an/a



Università di Milano

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity on [3H]-8-OH-DPAT as specific ligand on 5-hydroxytryptamine 1A receptor in rat hippocampus


J Med Chem 42: 173-7 (1999)


Article DOI: 10.1021/jm981006q
BindingDB Entry DOI: 10.7270/Q22J6B05
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50073026
PNG
(5-Acetyl-4-amino-2-{2-[4-(2-methoxy-phenyl)-pipera...)
Show SMILES COc1ccccc1N1CCN(CCn2nc(-c3ccccc3)c(C(C)=O)c(N)c2=O)CC1
Show InChI InChI=1S/C25H29N5O3/c1-18(31)22-23(26)25(32)30(27-24(22)19-8-4-3-5-9-19)17-14-28-12-15-29(16-13-28)20-10-6-7-11-21(20)33-2/h3-11H,12-17,26H2,1-2H3
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123n/an/an/an/an/an/an/an/a



Università di Milano

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity on [3H]-8-OH-DPAT as specific ligand on 5-hydroxytryptamine 1A receptor in rat hippocampus


J Med Chem 42: 173-7 (1999)


Article DOI: 10.1021/jm981006q
BindingDB Entry DOI: 10.7270/Q22J6B05
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM29568
PNG
(CHEMBL2 | PRAZOSIN | PRAZOSIN HYDROCHLORIDE | [3H]...)
Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1
Show InChI InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)
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PubMed
2.36E+3n/an/an/an/an/an/an/an/a



Università di Milano

Curated by ChEMBL


Assay Description
The compound was tested for binding affinity on [3H]-8-OH-DPAT as specific ligand on 5-hydroxytryptamine 1A receptor in rat hippocampus


J Med Chem 42: 173-7 (1999)


Article DOI: 10.1021/jm981006q
BindingDB Entry DOI: 10.7270/Q22J6B05
More data for this
Ligand-Target Pair