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Compile Data Set for Download or QSAR

Found 438 hits with Last Name = 'o''brien' and Initial = 'e'   
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
Casein kinase II subunit alpha'/beta


(Homo sapiens (Human))
BDBM50335638
PNG
(5-(3-Chlorophenylamino)benzo[c][2,6]naphthyridine-...)
Show SMILES OC(=O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc21
Show InChI InChI=1S/C19H12ClN3O2/c20-12-2-1-3-13(9-12)22-18-15-6-7-21-10-16(15)14-5-4-11(19(24)25)8-17(14)23-18/h1-10H,(H,22,23)(H,24,25)
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Article
PubMed
0.220n/an/an/an/an/an/an/an/a



Cylene Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CK2alpha/CK2beta using RRRDDDSDDD peptide as substrate by radiometric assay


Bioorg Med Chem Lett 22: 45-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.087
BindingDB Entry DOI: 10.7270/Q24Q7XV4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Xanthine dehydrogenase/oxidase


(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
Xanthine dehydrogenase/oxidase


(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/oxidase


(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/oxidase


(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/oxidase


(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/oxidase


(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/oxidase


(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/oxidase


(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/oxidase


(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/oxidase


(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/oxidase


(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/oxidase


(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
Xanthine dehydrogenase/oxidase


(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/oxidase


(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
Xanthine dehydrogenase/oxidase


(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/oxidase


(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
Xanthine dehydrogenase/oxidase


(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
Xanthine dehydrogenase/oxidase


(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
Xanthine dehydrogenase/oxidase


(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
Xanthine dehydrogenase/oxidase


(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
Xanthine dehydrogenase/oxidase


(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
Xanthine dehydrogenase/oxidase


(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/oxidase


(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
Xanthine dehydrogenase/oxidase


(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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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
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM50016666
PNG
(CHEMBL3276835)
Show SMILES Oc1cc(O)n2nccc2n1
Show InChI InChI=1S/C6H5N3O2/c10-5-3-6(11)9-4(8-5)1-2-7-9/h1-3,11H,(H,8,10)
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4.20E+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
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM50016666
PNG
(CHEMBL3276835)
Show SMILES Oc1cc(O)n2nccc2n1
Show InChI InChI=1S/C6H5N3O2/c10-5-3-6(11)9-4(8-5)1-2-7-9/h1-3,11H,(H,8,10)
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5.40E+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
Xanthine dehydrogenase/oxidase


(Bos taurus (Bovine))
BDBM50016698
PNG
(CHEMBL3276836)
Show SMILES Oc1cc(O)n2ncc([N+]([O-])=O)c2n1
Show InChI InChI=1S/C6H4N4O4/c11-4-1-5(12)9-6(8-4)3(2-7-9)10(13)14/h1-2,12H,(H,8,11)
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3.10E+4n/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/oxidase


(Bos taurus (Bovine))
BDBM50016698
PNG
(CHEMBL3276836)
Show SMILES Oc1cc(O)n2ncc([N+]([O-])=O)c2n1
Show InChI InChI=1S/C6H4N4O4/c11-4-1-5(12)9-6(8-4)3(2-7-9)10(13)14/h1-2,12H,(H,8,11)
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3.70E+4n/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
Cystine/glutamate transporter


(Homo sapiens (Human))
BDBM50378670
PNG
(CHEMBL600474)
Show SMILES N[C@@H](Cc1c(CCc2ccc3ccccc3c2)onc1C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C19H18N2O5/c20-15(18(22)23)10-14-16(26-21-17(14)19(24)25)8-6-11-5-7-12-3-1-2-4-13(12)9-11/h1-5,7,9,15H,6,8,10,20H2,(H,22,23)(H,24,25)/t15-/m0/s1
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5.20E+4n/an/an/an/an/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Competitive inhibition of [3H]L-glutamate uptake at amino acid transport system xc- in human SNB19 cells by liquid scintillation counting


Bioorg Med Chem 18: 202-13 (2010)


Article DOI: 10.1016/j.bmc.2009.11.001
BindingDB Entry DOI: 10.7270/Q23J3DX8
More data for this
Ligand-Target Pair
Cystine/glutamate transporter


(Homo sapiens (Human))
BDBM50109609
PNG
((2R)-2-amino-3-mercaptopropanoic acid | (2R)-2-ami...)
Show SMILES N[C@@H](CS)C(O)=O |r|
Show InChI InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1
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5.90E+4n/an/an/an/an/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Competitive inhibition of [3H]L-glutamate uptake at amino acid transport system xc- in human SNB19 cells by liquid scintillation counting


Bioorg Med Chem 18: 202-13 (2010)


Article DOI: 10.1016/j.bmc.2009.11.001
BindingDB Entry DOI: 10.7270/Q23J3DX8
More data for this
Ligand-Target Pair
Cystine/glutamate transporter


(Homo sapiens (Human))
BDBM50378666
PNG
(CHEMBL601837)
Show SMILES CC(N=Nc1ccc(cc1)[N+]([O-])=O)c1c(C)onc1C(O)=O |w:2.1|
Show InChI InChI=1S/C13H12N4O5/c1-7(11-8(2)22-16-12(11)13(18)19)14-15-9-3-5-10(6-4-9)17(20)21/h3-7H,1-2H3,(H,18,19)
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6.00E+4n/an/an/an/an/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Competitive inhibition of [3H]L-glutamate uptake at amino acid transport system xc- in human SNB19 cells by liquid scintillation counting


Bioorg Med Chem 18: 202-13 (2010)


Article DOI: 10.1016/j.bmc.2009.11.001
BindingDB Entry DOI: 10.7270/Q23J3DX8
More data for this
Ligand-Target Pair
Cystine/glutamate transporter


(Homo sapiens (Human))
BDBM50378667
PNG
(CHEMBL604574)
Show SMILES CC(N=Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1c(C)onc1C(O)=O |w:2.1|
Show InChI InChI=1S/C15H11F6N3O3/c1-6(11-7(2)27-24-12(11)13(25)26)22-23-10-4-8(14(16,17)18)3-9(5-10)15(19,20)21/h3-6H,1-2H3,(H,25,26)
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6.40E+4n/an/an/an/an/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Competitive inhibition of [3H]L-glutamate uptake at amino acid transport system xc- in human SNB19 cells by liquid scintillation counting


Bioorg Med Chem 18: 202-13 (2010)


Article DOI: 10.1016/j.bmc.2009.11.001
BindingDB Entry DOI: 10.7270/Q23J3DX8
More data for this
Ligand-Target Pair
Phosphodiesterase


(Bos taurus)
BDBM10847
PNG
(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)
Show SMILES Cn1c2nc[nH]c2c(=O)n(C)c1=O
Show InChI InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)
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7.70E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of bovine heart phosphodiesterase


J Med Chem 25: 420-6 (1982)


BindingDB Entry DOI: 10.7270/Q24X56SV
More data for this
Ligand-Target Pair
Cystine/glutamate transporter


(Homo sapiens (Human))
BDBM50378668
PNG
(CHEMBL606915)
Show SMILES CC(N=Nc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)c1c(CCc2ccc3ccccc3c2)onc1C(O)=O |w:2.1|
Show InChI InChI=1S/C24H19N5O7/c1-14(25-26-19-10-9-18(28(32)33)13-20(19)29(34)35)22-21(36-27-23(22)24(30)31)11-7-15-6-8-16-4-2-3-5-17(16)12-15/h2-6,8-10,12-14H,7,11H2,1H3,(H,30,31)
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1.13E+5n/an/an/an/an/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Competitive inhibition of [3H]L-glutamate uptake at amino acid transport system xc- in human SNB19 cells by liquid scintillation counting


Bioorg Med Chem 18: 202-13 (2010)


Article DOI: 10.1016/j.bmc.2009.11.001
BindingDB Entry DOI: 10.7270/Q23J3DX8
More data for this
Ligand-Target Pair
Cystine/glutamate transporter


(Homo sapiens (Human))
BDBM50378669
PNG
(CHEMBL591770)
Show SMILES N[C@@H](Cc1c(CCc2cccc3ccccc23)onc1C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C19H18N2O5/c20-15(18(22)23)10-14-16(26-21-17(14)19(24)25)9-8-12-6-3-5-11-4-1-2-7-13(11)12/h1-7,15H,8-10,20H2,(H,22,23)(H,24,25)/t15-/m0/s1
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1.17E+5n/an/an/an/an/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Competitive inhibition of [3H]L-glutamate uptake at amino acid transport system xc- in human SNB19 cells by liquid scintillation counting


Bioorg Med Chem 18: 202-13 (2010)


Article DOI: 10.1016/j.bmc.2009.11.001
BindingDB Entry DOI: 10.7270/Q23J3DX8
More data for this
Ligand-Target Pair
Cystine/glutamate transporter


(Homo sapiens (Human))
BDBM50378665
PNG
(CHEMBL590556)
Show SMILES CC(N=Nc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)c1c(C)onc1C(O)=O |w:2.1|
Show InChI InChI=1S/C13H11N5O7/c1-6(11-7(2)25-16-12(11)13(19)20)14-15-9-4-3-8(17(21)22)5-10(9)18(23)24/h3-6H,1-2H3,(H,19,20)
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1.47E+5n/an/an/an/an/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Competitive inhibition of [3H]L-glutamate uptake at amino acid transport system xc- in human SNB19 cells by liquid scintillation counting


Bioorg Med Chem 18: 202-13 (2010)


Article DOI: 10.1016/j.bmc.2009.11.001
BindingDB Entry DOI: 10.7270/Q23J3DX8
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha'/beta


(Homo sapiens (Human))
BDBM50335638
PNG
(5-(3-Chlorophenylamino)benzo[c][2,6]naphthyridine-...)
Show SMILES OC(=O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc21
Show InChI InChI=1S/C19H12ClN3O2/c20-12-2-1-3-13(9-12)22-18-15-6-7-21-10-16(15)14-5-4-11(19(24)25)8-17(14)23-18/h1-10H,(H,22,23)(H,24,25)
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n/an/a 0.300n/an/an/an/an/an/a



Cylene Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CK2alpha/CK2beta using RRRDDDSDDD peptide as substrate by radiometric assay


Bioorg Med Chem Lett 22: 45-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.087
BindingDB Entry DOI: 10.7270/Q24Q7XV4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Casein kinase II subunit alpha'/beta


(Homo sapiens (Human))
BDBM50484569
PNG
(CHEMBL1934184)
Show SMILES OC(=O)c1ccc2c(c1)nc(-c1ccc(Cl)s1)c1ccncc21
Show InChI InChI=1S/C17H9ClN2O2S/c18-15-4-3-14(23-15)16-11-5-6-19-8-12(11)10-2-1-9(17(21)22)7-13(10)20-16/h1-8H,(H,21,22)
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n/an/a 0.400n/an/an/an/an/an/a



Cylene Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CK2alpha/CK2beta using RRRDDDSDDD peptide as substrate by radiometric assay


Bioorg Med Chem Lett 22: 45-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.087
BindingDB Entry DOI: 10.7270/Q24Q7XV4
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha'/beta


(Homo sapiens (Human))
BDBM152738
PNG
(5-(4-chlorophenyl)benzo[c]2,6-naphthyridine-8-carb...)
Show SMILES OC(=O)c1ccc2c(c1)nc(-c1ccc(Cl)cc1)c1ccncc21
Show InChI InChI=1S/C19H11ClN2O2/c20-13-4-1-11(2-5-13)18-15-7-8-21-10-16(15)14-6-3-12(19(23)24)9-17(14)22-18/h1-10H,(H,23,24)
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n/an/a 0.5n/an/an/an/an/an/a



Cylene Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CK2alpha/CK2beta using RRRDDDSDDD peptide as substrate by radiometric assay


Bioorg Med Chem Lett 22: 45-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.087
BindingDB Entry DOI: 10.7270/Q24Q7XV4
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha'/beta


(Homo sapiens (Human))
BDBM50484577
PNG
(CHEMBL1934182)
Show SMILES OC(=O)c1ccc2c(c1)nc(-c1ccsc1)c1ccncc21
Show InChI InChI=1S/C17H10N2O2S/c20-17(21)10-1-2-12-14-8-18-5-3-13(14)16(19-15(12)7-10)11-4-6-22-9-11/h1-9H,(H,20,21)
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n/an/a 0.5n/an/an/an/an/an/a



Cylene Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CK2alpha/CK2beta using RRRDDDSDDD peptide as substrate by radiometric assay


Bioorg Med Chem Lett 22: 45-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.087
BindingDB Entry DOI: 10.7270/Q24Q7XV4
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha'/beta


(Homo sapiens (Human))
BDBM50484568
PNG
(CHEMBL1934181)
Show SMILES CCNc1ncc2c3ccc(cc3nc(-c3ccc(Cl)cc3)c2n1)C(O)=O
Show InChI InChI=1S/C20H15ClN4O2/c1-2-22-20-23-10-15-14-8-5-12(19(26)27)9-16(14)24-17(18(15)25-20)11-3-6-13(21)7-4-11/h3-10H,2H2,1H3,(H,26,27)(H,22,23,25)
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n/an/a 0.5n/an/an/an/an/an/a



Cylene Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CK2alpha/CK2beta using RRRDDDSDDD peptide as substrate by radiometric assay


Bioorg Med Chem Lett 22: 45-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.087
BindingDB Entry DOI: 10.7270/Q24Q7XV4
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha'/beta


(Homo sapiens (Human))
BDBM50484567
PNG
(CHEMBL1934180)
Show SMILES OC(=O)c1ccc2c(c1)nc(-c1ccccc1)c1nc(NC3CC3)ncc21
Show InChI InChI=1S/C21H16N4O2/c26-20(27)13-6-9-15-16-11-22-21(23-14-7-8-14)25-19(16)18(24-17(15)10-13)12-4-2-1-3-5-12/h1-6,9-11,14H,7-8H2,(H,26,27)(H,22,23,25)
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n/an/a 0.600n/an/an/an/an/an/a



Cylene Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CK2alpha/CK2beta using RRRDDDSDDD peptide as substrate by radiometric assay


Bioorg Med Chem Lett 22: 45-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.087
BindingDB Entry DOI: 10.7270/Q24Q7XV4
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50357587
PNG
(CHEMBL1915438)
Show SMILES Clc1ccccc1Nc1nc2c(cccc2c2cnccc12)-c1nnc[nH]1
Show InChI InChI=1S/C20H13ClN6/c21-16-6-1-2-7-17(16)25-20-13-8-9-22-10-15(13)12-4-3-5-14(18(12)26-20)19-23-11-24-27-19/h1-11H,(H,25,26)(H,23,24,27)
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n/an/a 1n/an/an/an/an/an/a



Cylene Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of PIM1 using KKRNRTLTV as substrate by millipore assay in the presence of 90 uM [ATP]


Bioorg Med Chem Lett 21: 6687-92 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.059
BindingDB Entry DOI: 10.7270/Q2PR7WD6
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM50357610
PNG
(CHEMBL1915644)
Show SMILES CNC(=O)c1cccc2c1nc(Nc1ccccc1Cl)c1ccncc21
Show InChI InChI=1S/C20H15ClN4O/c1-22-20(26)14-6-4-5-12-15-11-23-10-9-13(15)19(25-18(12)14)24-17-8-3-2-7-16(17)21/h2-11H,1H3,(H,22,26)(H,24,25)
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n/an/a 1n/an/an/an/an/an/a



Cylene Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Pim2 using RSRHSSYPAGT as substrate by radiometric assay in the presence of 5 uM [ATP]


Bioorg Med Chem Lett 21: 6687-92 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.059
BindingDB Entry DOI: 10.7270/Q2PR7WD6
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha


(Homo sapiens (Human))
BDBM50335638
PNG
(5-(3-Chlorophenylamino)benzo[c][2,6]naphthyridine-...)
Show SMILES OC(=O)c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1ccncc21
Show InChI InChI=1S/C19H12ClN3O2/c20-12-2-1-3-13(9-12)22-18-15-6-7-21-10-16(15)14-5-4-11(19(24)25)8-17(14)23-18/h1-10H,(H,22,23)(H,24,25)
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Cylene Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CK2alpha by radiometric assay


J Med Chem 54: 635-54 (2011)


Article DOI: 10.1021/jm101251q
BindingDB Entry DOI: 10.7270/Q2J67H7N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Casein kinase II subunit alpha'/beta


(Homo sapiens (Human))
BDBM50484579
PNG
(CHEMBL1934166)
Show SMILES OC(=O)c1ccc2c(c1)nc(-c1cccc(O)c1)c1ccncc21
Show InChI InChI=1S/C19H12N2O3/c22-13-3-1-2-11(8-13)18-15-6-7-20-10-16(15)14-5-4-12(19(23)24)9-17(14)21-18/h1-10,22H,(H,23,24)
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Cylene Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CK2alpha/CK2beta using RRRDDDSDDD peptide as substrate by radiometric assay


Bioorg Med Chem Lett 22: 45-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.087
BindingDB Entry DOI: 10.7270/Q24Q7XV4
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM50357602
PNG
(CHEMBL1915636)
Show SMILES Fc1cccc(F)c1Nc1nc2c(cccc2c2cnccc12)-c1nnc[nH]1
Show InChI InChI=1S/C20H12F2N6/c21-15-5-2-6-16(22)18(15)27-20-12-7-8-23-9-14(12)11-3-1-4-13(17(11)26-20)19-24-10-25-28-19/h1-10H,(H,26,27)(H,24,25,28)
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Cylene Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Pim2 using RSRHSSYPAGT as substrate by radiometric assay in the presence of 5 uM [ATP]


Bioorg Med Chem Lett 21: 6687-92 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.059
BindingDB Entry DOI: 10.7270/Q2PR7WD6
More data for this
Ligand-Target Pair
Casein kinase II subunit alpha'/beta


(Homo sapiens (Human))
BDBM50484584
PNG
(CHEMBL1934318)
Show SMILES OC(=O)c1ccc2c(c1)nc(Sc1cccc(Cl)c1)c1ccncc21
Show InChI InChI=1S/C19H11ClN2O2S/c20-12-2-1-3-13(9-12)25-18-15-6-7-21-10-16(15)14-5-4-11(19(23)24)8-17(14)22-18/h1-10H,(H,23,24)
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Cylene Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CK2alpha/CK2beta using RRRDDDSDDD peptide as substrate by radiometric assay


Bioorg Med Chem Lett 22: 45-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.11.087
BindingDB Entry DOI: 10.7270/Q24Q7XV4
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM50357599
PNG
(CHEMBL1915633)
Show SMILES COc1cccc(Nc2nc3c(cccc3c3cnccc23)-c2nnc[nH]2)c1Cl
Show InChI InChI=1S/C21H15ClN6O/c1-29-17-7-3-6-16(18(17)22)26-21-13-8-9-23-10-15(13)12-4-2-5-14(19(12)27-21)20-24-11-25-28-20/h2-11H,1H3,(H,26,27)(H,24,25,28)
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Cylene Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Pim2 using RSRHSSYPAGT as substrate by radiometric assay in the presence of 5 uM [ATP]


Bioorg Med Chem Lett 21: 6687-92 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.059
BindingDB Entry DOI: 10.7270/Q2PR7WD6
More data for this
Ligand-Target Pair
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