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Compile Data Set for Download or QSAR

Found 878 hits with Last Name = 'ng' and Initial = 'rh'   
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))
BDBM50116936
PNG
(1-{2-[4-(2-Isopropoxy-phenyl)-piperazin-1-ylmethyl...)
Show SMILES CC(C)Oc1ccccc1N1CCN(Cc2nc(CN3CCCC3=O)cs2)CC1
Show InChI InChI=1S/C22H30N4O2S/c1-17(2)28-20-7-4-3-6-19(20)25-12-10-24(11-13-25)15-21-23-18(16-29-21)14-26-9-5-8-22(26)27/h3-4,6-7,16-17H,5,8-15H2,1-2H3
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0.900n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Displacement of [125I]-HEAT from human Alpha-1A adrenergic receptor


Bioorg Med Chem Lett 12: 2443-6 (2002)


BindingDB Entry DOI: 10.7270/Q2FB528D
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50116940
PNG
(1-{5-[4-(2-Isopropoxy-phenyl)-piperazin-1-ylmethyl...)
Show SMILES CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCC3=O)no2)CC1
Show InChI InChI=1S/C22H30N4O3/c1-17(2)28-21-7-4-3-6-20(21)25-12-10-24(11-13-25)16-19-14-18(23-29-19)15-26-9-5-8-22(26)27/h3-4,6-7,14,17H,5,8-13,15-16H2,1-2H3
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1.10n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Displacement of [125I]-HEAT from human Alpha-1A adrenergic receptor


Bioorg Med Chem Lett 12: 2443-6 (2002)


BindingDB Entry DOI: 10.7270/Q2FB528D
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50116928
PNG
(1-{2-[4-(2-Isopropoxy-phenyl)-piperazin-1-ylmethyl...)
Show SMILES CC(C)Oc1ccccc1N1CCN(Cc2nc(CN3CCCCC3=O)cs2)CC1
Show InChI InChI=1S/C23H32N4O2S/c1-18(2)29-21-8-4-3-7-20(21)26-13-11-25(12-14-26)16-22-24-19(17-30-22)15-27-10-6-5-9-23(27)28/h3-4,7-8,17-18H,5-6,9-16H2,1-2H3
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1.20n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Displacement of [125I]-HEAT from human Alpha-1A adrenergic receptor


Bioorg Med Chem Lett 12: 2443-6 (2002)


BindingDB Entry DOI: 10.7270/Q2FB528D
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50029266
PNG
(1-{5-[4-(2-Isopropoxy-phenyl)-piperazin-1-ylmethyl...)
Show SMILES CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCCC3=O)no2)CC1
Show InChI InChI=1S/C23H32N4O3/c1-18(2)29-22-8-4-3-7-21(22)26-13-11-25(12-14-26)17-20-15-19(24-30-20)16-27-10-6-5-9-23(27)28/h3-4,7-8,15,18H,5-6,9-14,16-17H2,1-2H3
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8.40n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Displacement of [125I]-HEAT from human Alpha-1A adrenergic receptor


Bioorg Med Chem Lett 12: 2443-6 (2002)


BindingDB Entry DOI: 10.7270/Q2FB528D
More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Bos taurus (Bovine))
BDBM50016697
PNG
(CHEMBL3277223)
Show SMILES Oc1cc(O)n2ncc(-c3cccc4ccccc34)c2n1
Show InChI InChI=1S/C16H11N3O2/c20-14-8-15(21)19-16(18-14)13(9-17-19)12-7-3-5-10-4-1-2-6-11(10)12/h1-9,21H,(H,18,20)
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13n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Non-competitive inhibition of bovine milk xanthine oxidase using xanthine as substrate by Lineweaver-Burk plot analysis


J Med Chem 19: 291-6 (1976)


BindingDB Entry DOI: 10.7270/Q2XP76G9
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50116938
PNG
(1-{5-[4-(2-Phenoxy-phenyl)-piperazin-1-ylmethyl]-i...)
Show SMILES O=C1CCCCN1Cc1cc(CN2CCN(CC2)c2ccccc2Oc2ccccc2)on1
Show InChI InChI=1S/C26H30N4O3/c31-26-12-6-7-13-30(26)19-21-18-23(33-27-21)20-28-14-16-29(17-15-28)24-10-4-5-11-25(24)32-22-8-2-1-3-9-22/h1-5,8-11,18H,6-7,12-17,19-20H2
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15n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Displacement of [125I]-HEAT from human Alpha-1A adrenergic receptor


Bioorg Med Chem Lett 12: 2443-6 (2002)


BindingDB Entry DOI: 10.7270/Q2FB528D
More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Bos taurus (Bovine))
BDBM50016697
PNG
(CHEMBL3277223)
Show SMILES Oc1cc(O)n2ncc(-c3cccc4ccccc34)c2n1
Show InChI InChI=1S/C16H11N3O2/c20-14-8-15(21)19-16(18-14)13(9-17-19)12-7-3-5-10-4-1-2-6-11(10)12/h1-9,21H,(H,18,20)
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16n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Non-competitive inhibition of bovine milk xanthine oxidase using hypoxanthine as substrate by Lineweaver-Burk plot analysis


J Med Chem 19: 291-6 (1976)


BindingDB Entry DOI: 10.7270/Q2XP76G9
More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Bos taurus (Bovine))
BDBM50016702
PNG
(CHEMBL3276844)
Show SMILES Cc1ccc(cc1)-c1cnn2c(O)cc(O)nc12
Show InChI InChI=1S/C13H11N3O2/c1-8-2-4-9(5-3-8)10-7-14-16-12(18)6-11(17)15-13(10)16/h2-7,18H,1H3,(H,15,17)
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17n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Mixed-type inhibition of bovine milk xanthine oxidase using xanthine as substrate by Lineweaver-Burk plot analysis


J Med Chem 19: 291-6 (1976)


BindingDB Entry DOI: 10.7270/Q2XP76G9
More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Bos taurus (Bovine))
BDBM50016707
PNG
(CHEMBL3276846)
Show SMILES Oc1cc(O)n2ncc(-c3ccc4OCOc4c3)c2n1
Show InChI InChI=1S/C13H9N3O4/c17-11-4-12(18)16-13(15-11)8(5-14-16)7-1-2-9-10(3-7)20-6-19-9/h1-5,18H,6H2,(H,15,17)
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18n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Mixed-type inhibition of bovine milk xanthine oxidase using hypoxanthine as substrate by Lineweaver-Burk plot analysis


J Med Chem 19: 291-6 (1976)


BindingDB Entry DOI: 10.7270/Q2XP76G9
More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Bos taurus (Bovine))
BDBM50016700
PNG
(CHEMBL3276842)
Show SMILES Oc1cc(O)n2ncc(-c3ccc(Cl)cc3)c2n1
Show InChI InChI=1S/C12H8ClN3O2/c13-8-3-1-7(2-4-8)9-6-14-16-11(18)5-10(17)15-12(9)16/h1-6,18H,(H,15,17)
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19n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Mixed-type inhibition of bovine milk xanthine oxidase using hypoxanthine as substrate by Lineweaver-Burk plot analysis


J Med Chem 19: 291-6 (1976)


BindingDB Entry DOI: 10.7270/Q2XP76G9
More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Bos taurus (Bovine))
BDBM50016705
PNG
(CHEMBL3276845)
Show SMILES Cc1cccc(c1)-c1cnn2c(O)cc(O)nc12
Show InChI InChI=1S/C13H11N3O2/c1-8-3-2-4-9(5-8)10-7-14-16-12(18)6-11(17)15-13(10)16/h2-7,18H,1H3,(H,15,17)
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19n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Mixed-type inhibition of bovine milk xanthine oxidase using hypoxanthine as substrate by Lineweaver-Burk plot analysis


J Med Chem 19: 291-6 (1976)


BindingDB Entry DOI: 10.7270/Q2XP76G9
More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Bos taurus (Bovine))
BDBM50016705
PNG
(CHEMBL3276845)
Show SMILES Cc1cccc(c1)-c1cnn2c(O)cc(O)nc12
Show InChI InChI=1S/C13H11N3O2/c1-8-3-2-4-9(5-8)10-7-14-16-12(18)6-11(17)15-13(10)16/h2-7,18H,1H3,(H,15,17)
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20n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Mixed-type inhibition of bovine milk xanthine oxidase using xanthine as substrate by Lineweaver-Burk plot analysis


J Med Chem 19: 291-6 (1976)


BindingDB Entry DOI: 10.7270/Q2XP76G9
More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Bos taurus (Bovine))
BDBM50016699
PNG
(CHEMBL3276841)
Show SMILES Oc1cc(O)n2ncc(-c3ccc(Br)cc3)c2n1
Show InChI InChI=1S/C12H8BrN3O2/c13-8-3-1-7(2-4-8)9-6-14-16-11(18)5-10(17)15-12(9)16/h1-6,18H,(H,15,17)
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23n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Mixed-type inhibition of bovine milk xanthine oxidase using hypoxanthine as substrate by Lineweaver-Burk plot analysis


J Med Chem 19: 291-6 (1976)


BindingDB Entry DOI: 10.7270/Q2XP76G9
More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Bos taurus (Bovine))
BDBM50016700
PNG
(CHEMBL3276842)
Show SMILES Oc1cc(O)n2ncc(-c3ccc(Cl)cc3)c2n1
Show InChI InChI=1S/C12H8ClN3O2/c13-8-3-1-7(2-4-8)9-6-14-16-11(18)5-10(17)15-12(9)16/h1-6,18H,(H,15,17)
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23n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Mixed-type inhibition of bovine milk xanthine oxidase using xanthine as substrate by Lineweaver-Burk plot analysis


J Med Chem 19: 291-6 (1976)


BindingDB Entry DOI: 10.7270/Q2XP76G9
More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Bos taurus (Bovine))
BDBM50016707
PNG
(CHEMBL3276846)
Show SMILES Oc1cc(O)n2ncc(-c3ccc4OCOc4c3)c2n1
Show InChI InChI=1S/C13H9N3O4/c17-11-4-12(18)16-13(15-11)8(5-14-16)7-1-2-9-10(3-7)20-6-19-9/h1-5,18H,6H2,(H,15,17)
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23n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Mixed-type inhibition of bovine milk xanthine oxidase using xanthine as substrate by Lineweaver-Burk plot analysis


J Med Chem 19: 291-6 (1976)


BindingDB Entry DOI: 10.7270/Q2XP76G9
More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Bos taurus (Bovine))
BDBM50016702
PNG
(CHEMBL3276844)
Show SMILES Cc1ccc(cc1)-c1cnn2c(O)cc(O)nc12
Show InChI InChI=1S/C13H11N3O2/c1-8-2-4-9(5-3-8)10-7-14-16-12(18)6-11(17)15-13(10)16/h2-7,18H,1H3,(H,15,17)
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24n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Mixed-type inhibition of bovine milk xanthine oxidase using hypoxanthine as substrate by Lineweaver-Burk plot analysis


J Med Chem 19: 291-6 (1976)


BindingDB Entry DOI: 10.7270/Q2XP76G9
More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Bos taurus (Bovine))
BDBM50016699
PNG
(CHEMBL3276841)
Show SMILES Oc1cc(O)n2ncc(-c3ccc(Br)cc3)c2n1
Show InChI InChI=1S/C12H8BrN3O2/c13-8-3-1-7(2-4-8)9-6-14-16-11(18)5-10(17)15-12(9)16/h1-6,18H,(H,15,17)
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26n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Mixed-type inhibition of bovine milk xanthine oxidase using xanthine as substrate by Lineweaver-Burk plot analysis


J Med Chem 19: 291-6 (1976)


BindingDB Entry DOI: 10.7270/Q2XP76G9
More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Bos taurus (Bovine))
BDBM50016696
PNG
(CHEMBL3276840)
Show SMILES Oc1cc(O)n2ncc(-c3cccnc3)c2n1
Show InChI InChI=1S/C11H8N4O2/c16-9-4-10(17)15-11(14-9)8(6-13-15)7-2-1-3-12-5-7/h1-6,17H,(H,14,16)
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26n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Non-competitive inhibition of bovine milk xanthine oxidase using xanthine as substrate by Lineweaver-Burk plot analysis


J Med Chem 19: 291-6 (1976)


BindingDB Entry DOI: 10.7270/Q2XP76G9
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50116937
PNG
(1-{5-[4-(2-Phenoxy-phenyl)-piperazin-1-ylmethyl]-i...)
Show SMILES O=C1CCCN1Cc1cc(CN2CCN(CC2)c2ccccc2Oc2ccccc2)on1
Show InChI InChI=1S/C25H28N4O3/c30-25-11-6-12-29(25)18-20-17-22(32-26-20)19-27-13-15-28(16-14-27)23-9-4-5-10-24(23)31-21-7-2-1-3-8-21/h1-5,7-10,17H,6,11-16,18-19H2
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28n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Displacement of [125I]-HEAT from human Alpha-1A adrenergic receptor


Bioorg Med Chem Lett 12: 2443-6 (2002)


BindingDB Entry DOI: 10.7270/Q2FB528D
More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Bos taurus (Bovine))
BDBM50016696
PNG
(CHEMBL3276840)
Show SMILES Oc1cc(O)n2ncc(-c3cccnc3)c2n1
Show InChI InChI=1S/C11H8N4O2/c16-9-4-10(17)15-11(14-9)8(6-13-15)7-2-1-3-12-5-7/h1-6,17H,(H,14,16)
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31n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Non-competitive inhibition of bovine milk xanthine oxidase using hypoxanthine as substrate by Lineweaver-Burk plot analysis


J Med Chem 19: 291-6 (1976)


BindingDB Entry DOI: 10.7270/Q2XP76G9
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50116937
PNG
(1-{5-[4-(2-Phenoxy-phenyl)-piperazin-1-ylmethyl]-i...)
Show SMILES O=C1CCCN1Cc1cc(CN2CCN(CC2)c2ccccc2Oc2ccccc2)on1
Show InChI InChI=1S/C25H28N4O3/c30-25-11-6-12-29(25)18-20-17-22(32-26-20)19-27-13-15-28(16-14-27)23-9-4-5-10-24(23)31-21-7-2-1-3-8-21/h1-5,7-10,17H,6,11-16,18-19H2
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35n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Displacement of [125I]-HEAT from human Alpha-1D adrenergic receptor


Bioorg Med Chem Lett 12: 2443-6 (2002)


BindingDB Entry DOI: 10.7270/Q2FB528D
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50116928
PNG
(1-{2-[4-(2-Isopropoxy-phenyl)-piperazin-1-ylmethyl...)
Show SMILES CC(C)Oc1ccccc1N1CCN(Cc2nc(CN3CCCCC3=O)cs2)CC1
Show InChI InChI=1S/C23H32N4O2S/c1-18(2)29-21-8-4-3-7-20(21)26-13-11-25(12-14-26)16-22-24-19(17-30-22)15-27-10-6-5-9-23(27)28/h3-4,7-8,17-18H,5-6,9-16H2,1-2H3
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40n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Displacement of [125I]-HEAT from human Alpha-1D adrenergic receptor


Bioorg Med Chem Lett 12: 2443-6 (2002)


BindingDB Entry DOI: 10.7270/Q2FB528D
More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Bos taurus (Bovine))
BDBM50016669
PNG
(CHEMBL3276839)
Show SMILES Oc1cc(O)n2ncc(-c3ccccc3)c2n1
Show InChI InChI=1S/C12H9N3O2/c16-10-6-11(17)15-12(14-10)9(7-13-15)8-4-2-1-3-5-8/h1-7,17H,(H,14,16)
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53n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Non-competitive inhibition of bovine milk xanthine oxidase using xanthine as substrate by Lineweaver-Burk plot analysis


J Med Chem 19: 291-6 (1976)


BindingDB Entry DOI: 10.7270/Q2XP76G9
More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Bos taurus (Bovine))
BDBM50016669
PNG
(CHEMBL3276839)
Show SMILES Oc1cc(O)n2ncc(-c3ccccc3)c2n1
Show InChI InChI=1S/C12H9N3O2/c16-10-6-11(17)15-12(14-10)9(7-13-15)8-4-2-1-3-5-8/h1-7,17H,(H,14,16)
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60n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Non-competitive inhibition of bovine milk xanthine oxidase using hypoxanthine as substrate by Lineweaver-Burk plot analysis


J Med Chem 19: 291-6 (1976)


BindingDB Entry DOI: 10.7270/Q2XP76G9
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50116940
PNG
(1-{5-[4-(2-Isopropoxy-phenyl)-piperazin-1-ylmethyl...)
Show SMILES CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCC3=O)no2)CC1
Show InChI InChI=1S/C22H30N4O3/c1-17(2)28-21-7-4-3-6-20(21)25-12-10-24(11-13-25)16-19-14-18(23-29-19)15-26-9-5-8-22(26)27/h3-4,6-7,14,17H,5,8-13,15-16H2,1-2H3
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66n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Displacement of [125I]-HEAT from human Alpha-1D adrenergic receptor


Bioorg Med Chem Lett 12: 2443-6 (2002)


BindingDB Entry DOI: 10.7270/Q2FB528D
More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Bos taurus (Bovine))
BDBM50016701
PNG
(CHEMBL3276843)
Show SMILES CC(=O)Nc1ccc(cc1)-c1cnn2c(O)cc(O)nc12
Show InChI InChI=1S/C14H12N4O3/c1-8(19)16-10-4-2-9(3-5-10)11-7-15-18-13(21)6-12(20)17-14(11)18/h2-7,21H,1H3,(H,16,19)(H,17,20)
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77n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Mixed-type inhibition of bovine milk xanthine oxidase using hypoxanthine as substrate by Lineweaver-Burk plot analysis


J Med Chem 19: 291-6 (1976)


BindingDB Entry DOI: 10.7270/Q2XP76G9
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50116935
PNG
(8-{2-[4-(2-Isopropoxy-phenyl)-piperazin-1-ylmethyl...)
Show SMILES CC(C)Oc1ccccc1N1CCN(Cc2nc(CN3C(=O)CC4(CCCC4)CC3=O)co2)CC1
Show InChI InChI=1S/C27H36N4O4/c1-20(2)35-23-8-4-3-7-22(23)30-13-11-29(12-14-30)18-24-28-21(19-34-24)17-31-25(32)15-27(16-26(31)33)9-5-6-10-27/h3-4,7-8,19-20H,5-6,9-18H2,1-2H3
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82n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Displacement of [125I]-HEAT from human Alpha-1A adrenergic receptor


Bioorg Med Chem Lett 12: 2443-6 (2002)


BindingDB Entry DOI: 10.7270/Q2FB528D
More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Bos taurus (Bovine))
BDBM50016701
PNG
(CHEMBL3276843)
Show SMILES CC(=O)Nc1ccc(cc1)-c1cnn2c(O)cc(O)nc12
Show InChI InChI=1S/C14H12N4O3/c1-8(19)16-10-4-2-9(3-5-10)11-7-15-18-13(21)6-12(20)17-14(11)18/h2-7,21H,1H3,(H,16,19)(H,17,20)
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85n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Mixed-type inhibition of bovine milk xanthine oxidase using xanthine as substrate by Lineweaver-Burk plot analysis


J Med Chem 19: 291-6 (1976)


BindingDB Entry DOI: 10.7270/Q2XP76G9
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50116931
PNG
(1-{5-[4-(2-Phenoxy-phenyl)-piperazin-1-ylmethyl]-i...)
Show SMILES O=C1CCCCCN1Cc1cc(CN2CCN(CC2)c2ccccc2Oc2ccccc2)on1
Show InChI InChI=1S/C27H32N4O3/c32-27-13-5-2-8-14-31(27)20-22-19-24(34-28-22)21-29-15-17-30(18-16-29)25-11-6-7-12-26(25)33-23-9-3-1-4-10-23/h1,3-4,6-7,9-12,19H,2,5,8,13-18,20-21H2
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86n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Displacement of [125I]-HEAT from human Alpha-1A adrenergic receptor


Bioorg Med Chem Lett 12: 2443-6 (2002)


BindingDB Entry DOI: 10.7270/Q2FB528D
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50116936
PNG
(1-{2-[4-(2-Isopropoxy-phenyl)-piperazin-1-ylmethyl...)
Show SMILES CC(C)Oc1ccccc1N1CCN(Cc2nc(CN3CCCC3=O)cs2)CC1
Show InChI InChI=1S/C22H30N4O2S/c1-17(2)28-20-7-4-3-6-19(20)25-12-10-24(11-13-25)15-21-23-18(16-29-21)14-26-9-5-8-22(26)27/h3-4,6-7,16-17H,5,8-15H2,1-2H3
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105n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Displacement of [125I]-HEAT from human Alpha-1D adrenergic receptor


Bioorg Med Chem Lett 12: 2443-6 (2002)


BindingDB Entry DOI: 10.7270/Q2FB528D
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50116938
PNG
(1-{5-[4-(2-Phenoxy-phenyl)-piperazin-1-ylmethyl]-i...)
Show SMILES O=C1CCCCN1Cc1cc(CN2CCN(CC2)c2ccccc2Oc2ccccc2)on1
Show InChI InChI=1S/C26H30N4O3/c31-26-12-6-7-13-30(26)19-21-18-23(33-27-21)20-28-14-16-29(17-15-28)24-10-4-5-11-25(24)32-22-8-2-1-3-9-22/h1-5,8-11,18H,6-7,12-17,19-20H2
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170n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Displacement of [125I]-HEAT from human Alpha-1D adrenergic receptor


Bioorg Med Chem Lett 12: 2443-6 (2002)


BindingDB Entry DOI: 10.7270/Q2FB528D
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50116931
PNG
(1-{5-[4-(2-Phenoxy-phenyl)-piperazin-1-ylmethyl]-i...)
Show SMILES O=C1CCCCCN1Cc1cc(CN2CCN(CC2)c2ccccc2Oc2ccccc2)on1
Show InChI InChI=1S/C27H32N4O3/c32-27-13-5-2-8-14-31(27)20-22-19-24(34-28-22)21-29-15-17-30(18-16-29)25-11-6-7-12-26(25)33-23-9-3-1-4-10-23/h1,3-4,6-7,9-12,19H,2,5,8,13-18,20-21H2
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285n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Displacement of [125I]-HEAT from human Alpha-1D adrenergic receptor


Bioorg Med Chem Lett 12: 2443-6 (2002)


BindingDB Entry DOI: 10.7270/Q2FB528D
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50116939
PNG
(2-{2-[4-(2-Isopropoxy-phenyl)-piperazin-1-ylmethyl...)
Show SMILES CC(C)Oc1ccccc1N1CCN(Cc2nc(CN3C(=O)c4ccccc4C3=O)co2)CC1
Show InChI InChI=1S/C26H28N4O4/c1-18(2)34-23-10-6-5-9-22(23)29-13-11-28(12-14-29)16-24-27-19(17-33-24)15-30-25(31)20-7-3-4-8-21(20)26(30)32/h3-10,17-18H,11-16H2,1-2H3
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297n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Displacement of [125I]-HEAT from human Alpha-1A adrenergic receptor


Bioorg Med Chem Lett 12: 2443-6 (2002)


BindingDB Entry DOI: 10.7270/Q2FB528D
More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Bos taurus (Bovine))
BDBM50016784
PNG
(ALLOPURINOL | BW-56-158 | BW-56158 | CHEBI:40279 |...)
Show SMILES O=c1ncnc2[nH][nH]cc12
Show InChI InChI=1S/C5H2N4O/c10-5-3-1-8-9-4(3)6-2-7-5/h1-2H
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1.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Mixed-type inhibition of bovine milk xanthine oxidase using xanthine as substrate by Lineweaver-Burk plot analysis


J Med Chem 19: 291-6 (1976)


BindingDB Entry DOI: 10.7270/Q2XP76G9
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50116939
PNG
(2-{2-[4-(2-Isopropoxy-phenyl)-piperazin-1-ylmethyl...)
Show SMILES CC(C)Oc1ccccc1N1CCN(Cc2nc(CN3C(=O)c4ccccc4C3=O)co2)CC1
Show InChI InChI=1S/C26H28N4O4/c1-18(2)34-23-10-6-5-9-22(23)29-13-11-28(12-14-29)16-24-27-19(17-33-24)15-30-25(31)20-7-3-4-8-21(20)26(30)32/h3-10,17-18H,11-16H2,1-2H3
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1.11E+3n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Displacement of [125I]-HEAT from human Alpha-1D adrenergic receptor


Bioorg Med Chem Lett 12: 2443-6 (2002)


BindingDB Entry DOI: 10.7270/Q2FB528D
More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Bos taurus (Bovine))
BDBM50016667
PNG
(CHEMBL3276837)
Show SMILES Oc1cc(O)n2ncc(Br)c2n1
Show InChI InChI=1S/C6H4BrN3O2/c7-3-2-8-10-5(12)1-4(11)9-6(3)10/h1-2,12H,(H,9,11)
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1.20E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Non-competitive inhibition of bovine milk xanthine oxidase using hypoxanthine as substrate by Lineweaver-Burk plot analysis


J Med Chem 19: 291-6 (1976)


BindingDB Entry DOI: 10.7270/Q2XP76G9
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50116934
PNG
(1-{2-[4-(2-Isopropoxy-phenyl)-piperazin-1-ylmethyl...)
Show SMILES CC(C)Oc1ccccc1N1CCN(Cc2nc(CN3CCCC3=O)co2)CC1
Show InChI InChI=1S/C22H30N4O3/c1-17(2)29-20-7-4-3-6-19(20)25-12-10-24(11-13-25)15-21-23-18(16-28-21)14-26-9-5-8-22(26)27/h3-4,6-7,16-17H,5,8-15H2,1-2H3
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1.30E+3n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Displacement of [125I]-HEAT from human Alpha-1A adrenergic receptor


Bioorg Med Chem Lett 12: 2443-6 (2002)


BindingDB Entry DOI: 10.7270/Q2FB528D
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50029266
PNG
(1-{5-[4-(2-Isopropoxy-phenyl)-piperazin-1-ylmethyl...)
Show SMILES CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCCC3=O)no2)CC1
Show InChI InChI=1S/C23H32N4O3/c1-18(2)29-22-8-4-3-7-21(22)26-13-11-25(12-14-26)17-20-15-19(24-30-20)16-27-10-6-5-9-23(27)28/h3-4,7-8,15,18H,5-6,9-14,16-17H2,1-2H3
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1.44E+3n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Displacement of [125I]-HEAT from human Alpha-1D adrenergic receptor


Bioorg Med Chem Lett 12: 2443-6 (2002)


BindingDB Entry DOI: 10.7270/Q2FB528D
More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Bos taurus (Bovine))
BDBM50016667
PNG
(CHEMBL3276837)
Show SMILES Oc1cc(O)n2ncc(Br)c2n1
Show InChI InChI=1S/C6H4BrN3O2/c7-3-2-8-10-5(12)1-4(11)9-6(3)10/h1-2,12H,(H,9,11)
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1.50E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Non-competitive inhibition of bovine milk xanthine oxidase using xanthine as substrate by Lineweaver-Burk plot analysis


J Med Chem 19: 291-6 (1976)


BindingDB Entry DOI: 10.7270/Q2XP76G9
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50116930
PNG
(CHEMBL80125 | {5-[4-(2-Phenoxy-phenyl)-piperazin-1...)
Show SMILES OCc1cc(CN2CCN(CC2)c2ccccc2Oc2ccccc2)on1
Show InChI InChI=1S/C21H23N3O3/c25-16-17-14-19(27-22-17)15-23-10-12-24(13-11-23)20-8-4-5-9-21(20)26-18-6-2-1-3-7-18/h1-9,14,25H,10-13,15-16H2
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1.50E+3n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Displacement of [125I]-HEAT from human Alpha-1A adrenergic receptor


Bioorg Med Chem Lett 12: 2443-6 (2002)


BindingDB Entry DOI: 10.7270/Q2FB528D
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50116928
PNG
(1-{2-[4-(2-Isopropoxy-phenyl)-piperazin-1-ylmethyl...)
Show SMILES CC(C)Oc1ccccc1N1CCN(Cc2nc(CN3CCCCC3=O)cs2)CC1
Show InChI InChI=1S/C23H32N4O2S/c1-18(2)29-21-8-4-3-7-20(21)26-13-11-25(12-14-26)16-22-24-19(17-30-22)15-27-10-6-5-9-23(27)28/h3-4,7-8,17-18H,5-6,9-16H2,1-2H3
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1.74E+3n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Displacement of [125I]-HEAT from human Alpha-1B adrenergic receptor


Bioorg Med Chem Lett 12: 2443-6 (2002)


BindingDB Entry DOI: 10.7270/Q2FB528D
More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Bos taurus (Bovine))
BDBM50016668
PNG
(CHEMBL3276838)
Show SMILES Oc1cc(O)n2ncc(Cl)c2n1
Show InChI InChI=1S/C6H4ClN3O2/c7-3-2-8-10-5(12)1-4(11)9-6(3)10/h1-2,12H,(H,9,11)
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1.80E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Non-competitive inhibition of bovine milk xanthine oxidase using hypoxanthine as substrate by Lineweaver-Burk plot analysis


J Med Chem 19: 291-6 (1976)


BindingDB Entry DOI: 10.7270/Q2XP76G9
More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Bos taurus (Bovine))
BDBM50016668
PNG
(CHEMBL3276838)
Show SMILES Oc1cc(O)n2ncc(Cl)c2n1
Show InChI InChI=1S/C6H4ClN3O2/c7-3-2-8-10-5(12)1-4(11)9-6(3)10/h1-2,12H,(H,9,11)
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2.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Non-competitive inhibition of bovine milk xanthine oxidase using xanthine as substrate by Lineweaver-Burk plot analysis


J Med Chem 19: 291-6 (1976)


BindingDB Entry DOI: 10.7270/Q2XP76G9
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50116938
PNG
(1-{5-[4-(2-Phenoxy-phenyl)-piperazin-1-ylmethyl]-i...)
Show SMILES O=C1CCCCN1Cc1cc(CN2CCN(CC2)c2ccccc2Oc2ccccc2)on1
Show InChI InChI=1S/C26H30N4O3/c31-26-12-6-7-13-30(26)19-21-18-23(33-27-21)20-28-14-16-29(17-15-28)24-10-4-5-11-25(24)32-22-8-2-1-3-9-22/h1-5,8-11,18H,6-7,12-17,19-20H2
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2.21E+3n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Displacement of [125I]-HEAT from human Alpha-1B adrenergic receptor


Bioorg Med Chem Lett 12: 2443-6 (2002)


BindingDB Entry DOI: 10.7270/Q2FB528D
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50116932
PNG
(1-{2-[4-(2-Isopropoxy-phenyl)-piperazin-1-ylmethyl...)
Show SMILES CC(C)Oc1ccccc1N1CCN(Cc2nc(CN3CCCCC3=O)co2)CC1
Show InChI InChI=1S/C23H32N4O3/c1-18(2)30-21-8-4-3-7-20(21)26-13-11-25(12-14-26)16-22-24-19(17-29-22)15-27-10-6-5-9-23(27)28/h3-4,7-8,17-18H,5-6,9-16H2,1-2H3
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2.32E+3n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Displacement of [125I]-HEAT from human Alpha-1A adrenergic receptor


Bioorg Med Chem Lett 12: 2443-6 (2002)


BindingDB Entry DOI: 10.7270/Q2FB528D
More data for this
Ligand-Target Pair
Xanthine dehydrogenase


(Bos taurus (Bovine))
BDBM50016784
PNG
(ALLOPURINOL | BW-56-158 | BW-56158 | CHEBI:40279 |...)
Show SMILES O=c1ncnc2[nH][nH]cc12
Show InChI InChI=1S/C5H2N4O/c10-5-3-1-8-9-4(3)6-2-7-5/h1-2H
PDB
MMDB

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2.60E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Mixed-type inhibition of bovine milk xanthine oxidase using hypoxanthine as substrate by Lineweaver-Burk plot analysis


J Med Chem 19: 291-6 (1976)


BindingDB Entry DOI: 10.7270/Q2XP76G9
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50116940
PNG
(1-{5-[4-(2-Isopropoxy-phenyl)-piperazin-1-ylmethyl...)
Show SMILES CC(C)Oc1ccccc1N1CCN(Cc2cc(CN3CCCC3=O)no2)CC1
Show InChI InChI=1S/C22H30N4O3/c1-17(2)28-21-7-4-3-6-20(21)25-12-10-24(11-13-25)16-19-14-18(23-29-19)15-26-9-5-8-22(26)27/h3-4,6-7,14,17H,5,8-13,15-16H2,1-2H3
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2.99E+3n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Displacement of [125I]-HEAT from human Alpha-1B adrenergic receptor


Bioorg Med Chem Lett 12: 2443-6 (2002)


BindingDB Entry DOI: 10.7270/Q2FB528D
More data for this
Ligand-Target Pair
Alpha-1D adrenergic receptor


(Homo sapiens (Human))
BDBM50116930
PNG
(CHEMBL80125 | {5-[4-(2-Phenoxy-phenyl)-piperazin-1...)
Show SMILES OCc1cc(CN2CCN(CC2)c2ccccc2Oc2ccccc2)on1
Show InChI InChI=1S/C21H23N3O3/c25-16-17-14-19(27-22-17)15-23-10-12-24(13-11-23)20-8-4-5-9-21(20)26-18-6-2-1-3-7-18/h1-9,14,25H,10-13,15-16H2
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3.06E+3n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Displacement of [125I]-HEAT from human Alpha-1D adrenergic receptor


Bioorg Med Chem Lett 12: 2443-6 (2002)


BindingDB Entry DOI: 10.7270/Q2FB528D
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50116933
PNG
(1-{2-[4-(2-Isopropoxy-phenyl)-piperazin-1-ylmethyl...)
Show SMILES CC(C)Oc1ccccc1N1CCN(Cc2nc(CN3CCCCCC3=O)co2)CC1
Show InChI InChI=1S/C24H34N4O3/c1-19(2)31-22-9-6-5-8-21(22)27-14-12-26(13-15-27)17-23-25-20(18-30-23)16-28-11-7-3-4-10-24(28)29/h5-6,8-9,18-19H,3-4,7,10-17H2,1-2H3
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3.47E+3n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Displacement of [125I]-HEAT from human Alpha-1A adrenergic receptor


Bioorg Med Chem Lett 12: 2443-6 (2002)


BindingDB Entry DOI: 10.7270/Q2FB528D
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50116930
PNG
(CHEMBL80125 | {5-[4-(2-Phenoxy-phenyl)-piperazin-1...)
Show SMILES OCc1cc(CN2CCN(CC2)c2ccccc2Oc2ccccc2)on1
Show InChI InChI=1S/C21H23N3O3/c25-16-17-14-19(27-22-17)15-23-10-12-24(13-11-23)20-8-4-5-9-21(20)26-18-6-2-1-3-7-18/h1-9,14,25H,10-13,15-16H2
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3.72E+3n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Displacement of [125I]-HEAT from human Alpha-1B adrenergic receptor


Bioorg Med Chem Lett 12: 2443-6 (2002)


BindingDB Entry DOI: 10.7270/Q2FB528D
More data for this
Ligand-Target Pair
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