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Compile Data Set for Download or QSAR

Found 86 hits with Last Name = 'stringer' and Initial = 'b'   
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
Serine/threonine-protein kinase Aurora-A


(Mus musculus (mouse))
BDBM31093
PNG
(4-[[7-[2,6-bis(fluoranyl)phenyl]-9-chloranyl-5H-py...)
Show SMILES OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2F)cc1 |c:13|
Show InChI InChI=1S/C25H15ClF2N4O2/c26-15-6-9-17-18(10-15)23(21-19(27)2-1-3-20(21)28)29-11-14-12-30-25(32-22(14)17)31-16-7-4-13(5-8-16)24(33)34/h1-10,12H,11H2,(H,33,34)(H,30,31,32)
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n/an/a 4n/an/an/an/an/an/a



Millennium Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant Aurora A kinase expressed in insect Sf9 cells by radioactive flashplate assay


Proc Natl Acad Sci USA 104: 4106-11 (2007)


Article DOI: 10.1073/pnas.0608798104
BindingDB Entry DOI: 10.7270/Q25B03CS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50236543
PNG
(CHEMBL4078550)
Show SMILES CC(=O)Nc1ccc(cc1)-c1cnc2[nH]cc(-c3ccc(O)cc3)c2c1
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n/an/a 6.60n/an/an/an/an/an/a



QIMR Berghofer Medical Research Institute

Curated by ChEMBL




J Med Chem 60: 2052-2070 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01840
BindingDB Entry DOI: 10.7270/Q2ST7S3J
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50445231
PNG
(CHEMBL3102950)
Show SMILES Oc1ccc(cc1)-c1c[nH]c2ncc(cc12)-c1ccc(O)cc1
Show InChI InChI=1S/C19H14N2O2/c22-15-5-1-12(2-6-15)14-9-17-18(11-21-19(17)20-10-14)13-3-7-16(23)8-4-13/h1-11,22-23H,(H,20,21)
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n/an/a 14n/an/an/an/an/an/a



QIMR Berghofer Medical Research Institute

Curated by ChEMBL




J Med Chem 60: 2052-2070 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01840
BindingDB Entry DOI: 10.7270/Q2ST7S3J
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1B


(Homo sapiens (Human))
BDBM50445231
PNG
(CHEMBL3102950)
Show SMILES Oc1ccc(cc1)-c1c[nH]c2ncc(cc12)-c1ccc(O)cc1
Show InChI InChI=1S/C19H14N2O2/c22-15-5-1-12(2-6-15)14-9-17-18(11-21-19(17)20-10-14)13-3-7-16(23)8-4-13/h1-11,22-23H,(H,20,21)
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n/an/a 15n/an/an/an/an/an/a



QIMR Berghofer Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Cyclin-dependent kinase 1-cyclin B


J Med Chem 60: 2052-2070 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01840
BindingDB Entry DOI: 10.7270/Q2ST7S3J
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1B


(Homo sapiens (Human))
BDBM50236541
PNG
(CHEMBL4067661)
Show SMILES NC(=O)Nc1ccc(cc1)-c1cnc2[nH]cc(-c3ccc(O)cc3)c2c1
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n/an/a 17n/an/an/an/an/an/a



QIMR Berghofer Medical Research Institute

Curated by ChEMBL




J Med Chem 60: 2052-2070 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01840
BindingDB Entry DOI: 10.7270/Q2ST7S3J
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50236541
PNG
(CHEMBL4067661)
Show SMILES NC(=O)Nc1ccc(cc1)-c1cnc2[nH]cc(-c3ccc(O)cc3)c2c1
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n/an/a 31n/an/an/an/an/an/a



QIMR Berghofer Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Cyclin-dependent kinase 1-cyclin B


J Med Chem 60: 2052-2070 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01840
BindingDB Entry DOI: 10.7270/Q2ST7S3J
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1B


(Homo sapiens (Human))
BDBM50236544
PNG
(CHEMBL4096575)
Show SMILES Nc1ccc(cc1)-c1cnc2[nH]cc(-c3ccc(O)cc3)c2c1
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n/an/a 32n/an/an/an/an/an/a



QIMR Berghofer Medical Research Institute

Curated by ChEMBL




J Med Chem 60: 2052-2070 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01840
BindingDB Entry DOI: 10.7270/Q2ST7S3J
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM100152
PNG
(7-methoxy-1-methyl-9H-beta-carboline;hydrochloride...)
Show SMILES COc1ccc2c(c1)[nH]c1c(C)nccc21
Show InChI InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3
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n/an/a 33n/an/an/an/an/an/a



QIMR Berghofer Medical Research Institute

Curated by ChEMBL




J Med Chem 60: 2052-2070 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01840
BindingDB Entry DOI: 10.7270/Q2ST7S3J
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aurora kinase A


(Homo sapiens (Human))
BDBM31093
PNG
(4-[[7-[2,6-bis(fluoranyl)phenyl]-9-chloranyl-5H-py...)
Show SMILES OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2F)cc1 |c:13|
Show InChI InChI=1S/C25H15ClF2N4O2/c26-15-6-9-17-18(10-15)23(21-19(27)2-1-3-20(21)28)29-11-14-12-30-25(32-22(14)17)31-16-7-4-13(5-8-16)24(33)34/h1-10,12H,11H2,(H,33,34)(H,30,31,32)
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n/an/a 34n/an/an/an/an/an/a



Millennium Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of Aurora A Thr288 autophosphorylation in human HeLa cells after 1 hr


Proc Natl Acad Sci USA 104: 4106-11 (2007)


Article DOI: 10.1073/pnas.0608798104
BindingDB Entry DOI: 10.7270/Q25B03CS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dual specificity tyrosine-phosphorylation-regulated kinase 1B


(Homo sapiens (Human))
BDBM50236543
PNG
(CHEMBL4078550)
Show SMILES CC(=O)Nc1ccc(cc1)-c1cnc2[nH]cc(-c3ccc(O)cc3)c2c1
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n/an/a 38n/an/an/an/an/an/a



QIMR Berghofer Medical Research Institute

Curated by ChEMBL




J Med Chem 60: 2052-2070 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01840
BindingDB Entry DOI: 10.7270/Q2ST7S3J
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1B


(Homo sapiens (Human))
BDBM50236545
PNG
(CHEMBL4087125)
Show SMILES Oc1ccc(cc1)-c1c[nH]c2ncc(cc12)-c1ccc(cc1)-c1nnn[nH]1
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n/an/a 42n/an/an/an/an/an/a



QIMR Berghofer Medical Research Institute

Curated by ChEMBL


Assay Description
Antagonistic activity against human androgen receptor (hAR) in CV-1 cells using cotransfection assay


J Med Chem 60: 2052-2070 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01840
BindingDB Entry DOI: 10.7270/Q2ST7S3J
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50236544
PNG
(CHEMBL4096575)
Show SMILES Nc1ccc(cc1)-c1cnc2[nH]cc(-c3ccc(O)cc3)c2c1
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n/an/a 43n/an/an/an/an/an/a



QIMR Berghofer Medical Research Institute

Curated by ChEMBL




J Med Chem 60: 2052-2070 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01840
BindingDB Entry DOI: 10.7270/Q2ST7S3J
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1B


(Homo sapiens (Human))
BDBM50236546
PNG
(CHEMBL4065701)
Show SMILES Oc1ccc(cc1)-c1c[nH]c2ncc(cc12)-c1ccc2[nH]ccc2c1
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n/an/a 51n/an/an/an/an/an/a



QIMR Berghofer Medical Research Institute

Curated by ChEMBL




J Med Chem 60: 2052-2070 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01840
BindingDB Entry DOI: 10.7270/Q2ST7S3J
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50347750
PNG
(CHEMBL1802358)
Show SMILES O=C1NC(Nc2ccccc2)=NC1=Cc1ccc2OCOc2c1 |w:13.15,c:11|
Show InChI InChI=1S/C17H13N3O3/c21-16-13(8-11-6-7-14-15(9-11)23-10-22-14)19-17(20-16)18-12-4-2-1-3-5-12/h1-9H,10H2,(H2,18,19,20,21)
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n/an/a 55n/an/an/an/an/an/a



QIMR Berghofer Medical Research Institute

Curated by ChEMBL




J Med Chem 60: 2052-2070 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01840
BindingDB Entry DOI: 10.7270/Q2ST7S3J
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50236542
PNG
(CHEMBL4088888)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1cnc2[nH]cc(-c3ccc(O)cc3)c2c1
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n/an/a 56n/an/an/an/an/an/a



QIMR Berghofer Medical Research Institute

Curated by ChEMBL




J Med Chem 60: 2052-2070 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01840
BindingDB Entry DOI: 10.7270/Q2ST7S3J
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1/CLK4


(Homo sapiens (Human))
BDBM50347750
PNG
(CHEMBL1802358)
Show SMILES O=C1NC(Nc2ccccc2)=NC1=Cc1ccc2OCOc2c1 |w:13.15,c:11|
Show InChI InChI=1S/C17H13N3O3/c21-16-13(8-11-6-7-14-15(9-11)23-10-22-14)19-17(20-16)18-12-4-2-1-3-5-12/h1-9H,10H2,(H2,18,19,20,21)
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n/an/a 71n/an/an/an/an/an/a



QIMR Berghofer Medical Research Institute

Curated by ChEMBL




J Med Chem 60: 2052-2070 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01840
BindingDB Entry DOI: 10.7270/Q2ST7S3J
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1B


(Homo sapiens (Human))
BDBM50236537
PNG
(CHEMBL4084605)
Show SMILES Oc1ccc(cc1)-c1cnc2[nH]cc(-c3ccc4[nH]ccc4c3)c2c1
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n/an/a 83n/an/an/an/an/an/a



QIMR Berghofer Medical Research Institute

Curated by ChEMBL




J Med Chem 60: 2052-2070 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01840
BindingDB Entry DOI: 10.7270/Q2ST7S3J
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50236545
PNG
(CHEMBL4087125)
Show SMILES Oc1ccc(cc1)-c1c[nH]c2ncc(cc12)-c1ccc(cc1)-c1nnn[nH]1
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n/an/a 86n/an/an/an/an/an/a



QIMR Berghofer Medical Research Institute

Curated by ChEMBL




J Med Chem 60: 2052-2070 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01840
BindingDB Entry DOI: 10.7270/Q2ST7S3J
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50236550
PNG
(CHEMBL4105239)
Show SMILES Oc1ccc(cc1)-c1c[nH]c2ncc(cc12)C(=O)Nc1cccc(O)c1
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n/an/a 127n/an/an/an/an/an/a



QIMR Berghofer Medical Research Institute

Curated by ChEMBL




J Med Chem 60: 2052-2070 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01840
BindingDB Entry DOI: 10.7270/Q2ST7S3J
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1B


(Homo sapiens (Human))
BDBM50236540
PNG
(CHEMBL4080994)
Show SMILES Oc1ccc(NC(=O)c2cnc3[nH]cc(-c4ccc(O)cc4)c3c2)cc1
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n/an/a 128n/an/an/an/an/an/a



QIMR Berghofer Medical Research Institute

Curated by ChEMBL




J Med Chem 60: 2052-2070 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01840
BindingDB Entry DOI: 10.7270/Q2ST7S3J
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1B


(Homo sapiens (Human))
BDBM50236542
PNG
(CHEMBL4088888)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1cnc2[nH]cc(-c3ccc(O)cc3)c2c1
UniProtKB/SwissProt

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n/an/a 130n/an/an/an/an/an/a



QIMR Berghofer Medical Research Institute

Curated by ChEMBL




J Med Chem 60: 2052-2070 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01840
BindingDB Entry DOI: 10.7270/Q2ST7S3J
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1B


(Homo sapiens (Human))
BDBM50236550
PNG
(CHEMBL4105239)
Show SMILES Oc1ccc(cc1)-c1c[nH]c2ncc(cc12)C(=O)Nc1cccc(O)c1
UniProtKB/SwissProt

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n/an/a 138n/an/an/an/an/an/a



QIMR Berghofer Medical Research Institute

Curated by ChEMBL




J Med Chem 60: 2052-2070 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01840
BindingDB Entry DOI: 10.7270/Q2ST7S3J
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1B


(Homo sapiens (Human))
BDBM100152
PNG
(7-methoxy-1-methyl-9H-beta-carboline;hydrochloride...)
Show SMILES COc1ccc2c(c1)[nH]c1c(C)nccc21
Show InChI InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3
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n/an/a 160n/an/an/an/an/an/a



QIMR Berghofer Medical Research Institute

Curated by ChEMBL




J Med Chem 60: 2052-2070 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01840
BindingDB Entry DOI: 10.7270/Q2ST7S3J
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 2


(Homo sapiens (Human))
BDBM50445231
PNG
(CHEMBL3102950)
Show SMILES Oc1ccc(cc1)-c1c[nH]c2ncc(cc12)-c1ccc(O)cc1
Show InChI InChI=1S/C19H14N2O2/c22-15-5-1-12(2-6-15)14-9-17-18(11-21-19(17)20-10-14)13-3-7-16(23)8-4-13/h1-11,22-23H,(H,20,21)
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n/an/a 166n/an/an/an/an/an/a



QIMR Berghofer Medical Research Institute

Curated by ChEMBL




J Med Chem 60: 2052-2070 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01840
BindingDB Entry DOI: 10.7270/Q2ST7S3J
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50236537
PNG
(CHEMBL4084605)
Show SMILES Oc1ccc(cc1)-c1cnc2[nH]cc(-c3ccc4[nH]ccc4c3)c2c1
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n/an/a 169n/an/an/an/an/an/a



QIMR Berghofer Medical Research Institute

Curated by ChEMBL




J Med Chem 60: 2052-2070 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01840
BindingDB Entry DOI: 10.7270/Q2ST7S3J
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 12


(Mus musculus)
BDBM31093
PNG
(4-[[7-[2,6-bis(fluoranyl)phenyl]-9-chloranyl-5H-py...)
Show SMILES OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2F)cc1 |c:13|
Show InChI InChI=1S/C25H15ClF2N4O2/c26-15-6-9-17-18(10-15)23(21-19(27)2-1-3-20(21)28)29-11-14-12-30-25(32-22(14)17)31-16-7-4-13(5-8-16)24(33)34/h1-10,12H,11H2,(H,33,34)(H,30,31,32)
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n/an/a 172n/an/an/an/an/an/a



Millennium Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant Aurora B kinase expressed in insect Sf9 cells by radioactive flashplate assay


Proc Natl Acad Sci USA 104: 4106-11 (2007)


Article DOI: 10.1073/pnas.0608798104
BindingDB Entry DOI: 10.7270/Q25B03CS
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1B


(Homo sapiens (Human))
BDBM50236536
PNG
(CHEMBL4102553)
Show SMILES Oc1ccc(cc1)-c1cnc2[nH]cc(-c3ccc(cc3)-c3nnn[nH]3)c2c1
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n/an/a 172n/an/an/an/an/an/a



QIMR Berghofer Medical Research Institute

Curated by ChEMBL




J Med Chem 60: 2052-2070 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01840
BindingDB Entry DOI: 10.7270/Q2ST7S3J
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1B


(Homo sapiens (Human))
BDBM50236547
PNG
(CHEMBL4075959)
Show SMILES Oc1ccc(cc1)-c1c[nH]c2ncc(cc12)-c1ccc(cc1)[N+]([O-])=O
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n/an/a 198n/an/an/an/an/an/a



QIMR Berghofer Medical Research Institute

Curated by ChEMBL




J Med Chem 60: 2052-2070 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01840
BindingDB Entry DOI: 10.7270/Q2ST7S3J
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50236546
PNG
(CHEMBL4065701)
Show SMILES Oc1ccc(cc1)-c1c[nH]c2ncc(cc12)-c1ccc2[nH]ccc2c1
PDB
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n/an/a 204n/an/an/an/an/an/a



QIMR Berghofer Medical Research Institute

Curated by ChEMBL




J Med Chem 60: 2052-2070 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01840
BindingDB Entry DOI: 10.7270/Q2ST7S3J
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50236547
PNG
(CHEMBL4075959)
Show SMILES Oc1ccc(cc1)-c1c[nH]c2ncc(cc12)-c1ccc(cc1)[N+]([O-])=O
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n/an/a 212n/an/an/an/an/an/a



QIMR Berghofer Medical Research Institute

Curated by ChEMBL




J Med Chem 60: 2052-2070 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01840
BindingDB Entry DOI: 10.7270/Q2ST7S3J
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50236536
PNG
(CHEMBL4102553)
Show SMILES Oc1ccc(cc1)-c1cnc2[nH]cc(-c3ccc(cc3)-c3nnn[nH]3)c2c1
PDB
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n/an/a 280n/an/an/an/an/an/a



QIMR Berghofer Medical Research Institute

Curated by ChEMBL




J Med Chem 60: 2052-2070 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01840
BindingDB Entry DOI: 10.7270/Q2ST7S3J
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50236540
PNG
(CHEMBL4080994)
Show SMILES Oc1ccc(NC(=O)c2cnc3[nH]cc(-c4ccc(O)cc4)c3c2)cc1
PDB
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n/an/a 344n/an/an/an/an/an/a



QIMR Berghofer Medical Research Institute

Curated by ChEMBL




J Med Chem 60: 2052-2070 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01840
BindingDB Entry DOI: 10.7270/Q2ST7S3J
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 2


(Homo sapiens (Human))
BDBM50236545
PNG
(CHEMBL4087125)
Show SMILES Oc1ccc(cc1)-c1c[nH]c2ncc(cc12)-c1ccc(cc1)-c1nnn[nH]1
PDB
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n/an/a 408n/an/an/an/an/an/a



QIMR Berghofer Medical Research Institute

Curated by ChEMBL




J Med Chem 60: 2052-2070 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01840
BindingDB Entry DOI: 10.7270/Q2ST7S3J
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 3


(Homo sapiens (Human))
BDBM100152
PNG
(7-methoxy-1-methyl-9H-beta-carboline;hydrochloride...)
Show SMILES COc1ccc2c(c1)[nH]c1c(C)nccc21
Show InChI InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3
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n/an/a 410n/an/an/an/an/an/a



QIMR Berghofer Medical Research Institute

Curated by ChEMBL




J Med Chem 60: 2052-2070 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01840
BindingDB Entry DOI: 10.7270/Q2ST7S3J
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dual-specificity tyrosine-phosphorylation regulated kinase 2


(Homo sapiens (Human))
BDBM50236536
PNG
(CHEMBL4102553)
Show SMILES Oc1ccc(cc1)-c1cnc2[nH]cc(-c3ccc(cc3)-c3nnn[nH]3)c2c1
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n/an/a 416n/an/an/an/an/an/a



QIMR Berghofer Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Cyclin-dependent kinase 1-cyclin B


J Med Chem 60: 2052-2070 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01840
BindingDB Entry DOI: 10.7270/Q2ST7S3J
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 2


(Homo sapiens (Human))
BDBM50236541
PNG
(CHEMBL4067661)
Show SMILES NC(=O)Nc1ccc(cc1)-c1cnc2[nH]cc(-c3ccc(O)cc3)c2c1
PDB
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n/an/a 476n/an/an/an/an/an/a



QIMR Berghofer Medical Research Institute

Curated by ChEMBL




J Med Chem 60: 2052-2070 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01840
BindingDB Entry DOI: 10.7270/Q2ST7S3J
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 2


(Homo sapiens (Human))
BDBM50236543
PNG
(CHEMBL4078550)
Show SMILES CC(=O)Nc1ccc(cc1)-c1cnc2[nH]cc(-c3ccc(O)cc3)c2c1
PDB
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n/an/a 536n/an/an/an/an/an/a



QIMR Berghofer Medical Research Institute

Curated by ChEMBL




J Med Chem 60: 2052-2070 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01840
BindingDB Entry DOI: 10.7270/Q2ST7S3J
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 2


(Homo sapiens (Human))
BDBM50236544
PNG
(CHEMBL4096575)
Show SMILES Nc1ccc(cc1)-c1cnc2[nH]cc(-c3ccc(O)cc3)c2c1
PDB
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n/an/a 567n/an/an/an/an/an/a



QIMR Berghofer Medical Research Institute

Curated by ChEMBL




J Med Chem 60: 2052-2070 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01840
BindingDB Entry DOI: 10.7270/Q2ST7S3J
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 2


(Homo sapiens (Human))
BDBM50236537
PNG
(CHEMBL4084605)
Show SMILES Oc1ccc(cc1)-c1cnc2[nH]cc(-c3ccc4[nH]ccc4c3)c2c1
PDB
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n/an/a 571n/an/an/an/an/an/a



QIMR Berghofer Medical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Cyclin-dependent kinase 1-cyclin B


J Med Chem 60: 2052-2070 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01840
BindingDB Entry DOI: 10.7270/Q2ST7S3J
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 2


(Homo sapiens (Human))
BDBM50236546
PNG
(CHEMBL4065701)
Show SMILES Oc1ccc(cc1)-c1c[nH]c2ncc(cc12)-c1ccc2[nH]ccc2c1
PDB
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n/an/a 644n/an/an/an/an/an/a



QIMR Berghofer Medical Research Institute

Curated by ChEMBL




J Med Chem 60: 2052-2070 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01840
BindingDB Entry DOI: 10.7270/Q2ST7S3J
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50236544
PNG
(CHEMBL4096575)
Show SMILES Nc1ccc(cc1)-c1cnc2[nH]cc(-c3ccc(O)cc3)c2c1
PDB
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n/an/a 711n/an/an/an/an/an/a



QIMR Berghofer Medical Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to the human androgen receptor (hAR), using [3H]DHT as radioligand in a competitive binding assay


J Med Chem 60: 2052-2070 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01840
BindingDB Entry DOI: 10.7270/Q2ST7S3J
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 2


(Homo sapiens (Human))
BDBM50236542
PNG
(CHEMBL4088888)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1cnc2[nH]cc(-c3ccc(O)cc3)c2c1
PDB
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n/an/a 724n/an/an/an/an/an/a



QIMR Berghofer Medical Research Institute

Curated by ChEMBL




J Med Chem 60: 2052-2070 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01840
BindingDB Entry DOI: 10.7270/Q2ST7S3J
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 2


(Homo sapiens (Human))
BDBM50236550
PNG
(CHEMBL4105239)
Show SMILES Oc1ccc(cc1)-c1c[nH]c2ncc(cc12)C(=O)Nc1cccc(O)c1
PDB
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n/an/a 847n/an/an/an/an/an/a



QIMR Berghofer Medical Research Institute

Curated by ChEMBL




J Med Chem 60: 2052-2070 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01840
BindingDB Entry DOI: 10.7270/Q2ST7S3J
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50236551
PNG
(CHEMBL4092345)
Show SMILES Nc1ccc(cc1)-c1c[nH]c2ncc(cc12)-c1ccc(O)cc1
PDB
MMDB

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n/an/a>1.00E+3n/an/an/an/an/an/a



QIMR Berghofer Medical Research Institute

Curated by ChEMBL




J Med Chem 60: 2052-2070 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01840
BindingDB Entry DOI: 10.7270/Q2ST7S3J
More data for this
Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1B


(Homo sapiens (Human))
BDBM50236549
PNG
(CHEMBL4070354)
Show SMILES Oc1ccc(NC(=O)c2c[nH]c3ncc(cc23)-c2ccc(O)cc2)cc1
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n/an/a>1.00E+3n/an/an/an/an/an/a



QIMR Berghofer Medical Research Institute

Curated by ChEMBL




J Med Chem 60: 2052-2070 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01840
BindingDB Entry DOI: 10.7270/Q2ST7S3J
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50236538
PNG
(CHEMBL4083661)
Show SMILES Oc1ccc(cc1)-c1n[nH]c2ccc(cc12)-c1ccc(O)cc1
PDB
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n/an/a>1.00E+3n/an/an/an/an/an/a



QIMR Berghofer Medical Research Institute

Curated by ChEMBL




J Med Chem 60: 2052-2070 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01840
BindingDB Entry DOI: 10.7270/Q2ST7S3J
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50236539
PNG
(CHEMBL4073972)
Show SMILES Oc1ccc(cc1)-c1c[nH]c2ccc(cc12)-c1ccc(O)cc1
PDB
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n/an/a>1.00E+3n/an/an/an/an/an/a



QIMR Berghofer Medical Research Institute

Curated by ChEMBL




J Med Chem 60: 2052-2070 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01840
BindingDB Entry DOI: 10.7270/Q2ST7S3J
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50236549
PNG
(CHEMBL4070354)
Show SMILES Oc1ccc(NC(=O)c2c[nH]c3ncc(cc23)-c2ccc(O)cc2)cc1
PDB
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n/an/a>1.00E+3n/an/an/an/an/an/a



QIMR Berghofer Medical Research Institute

Curated by ChEMBL




J Med Chem 60: 2052-2070 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01840
BindingDB Entry DOI: 10.7270/Q2ST7S3J
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 2


(Homo sapiens (Human))
BDBM50236538
PNG
(CHEMBL4083661)
Show SMILES Oc1ccc(cc1)-c1n[nH]c2ccc(cc12)-c1ccc(O)cc1
PDB
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n/an/a>1.00E+3n/an/an/an/an/an/a



QIMR Berghofer Medical Research Institute

Curated by ChEMBL




J Med Chem 60: 2052-2070 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01840
BindingDB Entry DOI: 10.7270/Q2ST7S3J
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 2


(Homo sapiens (Human))
BDBM50236539
PNG
(CHEMBL4073972)
Show SMILES Oc1ccc(cc1)-c1c[nH]c2ccc(cc12)-c1ccc(O)cc1
PDB
MMDB

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n/an/a>1.00E+3n/an/an/an/an/an/a



QIMR Berghofer Medical Research Institute

Curated by ChEMBL




J Med Chem 60: 2052-2070 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01840
BindingDB Entry DOI: 10.7270/Q2ST7S3J
More data for this
Ligand-Target Pair
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