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Compile Data Set for Download or QSAR

Found 313 hits with Last Name = 'tell' and Initial = 'v'   
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
Cyclin B/Cyclin-Dependent Kinase 1 (CDK1)/G2/mitotic-specific cyclin B2/G2/mitotic-specific cyclin B3


(Homo sapiens (Human))
BDBM50395892
PNG
(CHEMBL2163772)
Show SMILES Oc1ccc2oc3ncc(O)c(-c4ccccc4)c3c2c1
Show InChI InChI=1S/C17H11NO3/c19-11-6-7-14-12(8-11)16-15(10-4-2-1-3-5-10)13(20)9-18-17(16)21-14/h1-9,19-20H
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10n/an/an/an/an/an/an/an/a



Martin-Luther University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of CDK1/Cyclin B


Bioorg Med Chem Lett 22: 6914-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.006
BindingDB Entry DOI: 10.7270/Q2M61MC1
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50395894
PNG
(CHEMBL2163771)
Show SMILES Oc1cnc2oc3c(cc(O)c4ccccc34)c2c1-c1ccccc1
Show InChI InChI=1S/C21H13NO3/c23-16-10-15-19-18(12-6-2-1-3-7-12)17(24)11-22-21(19)25-20(15)14-9-5-4-8-13(14)16/h1-11,23-24H
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10n/an/an/an/an/an/an/an/a



Martin-Luther University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of GSK3beta


Bioorg Med Chem Lett 22: 6914-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.006
BindingDB Entry DOI: 10.7270/Q2M61MC1
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50395890
PNG
(CHEMBL2163774)
Show SMILES COc1ccc2oc3ncc(OCc4ccccc4)c(-c4ccccc4)c3c2c1
Show InChI InChI=1S/C25H19NO3/c1-27-19-12-13-21-20(14-19)24-23(18-10-6-3-7-11-18)22(15-26-25(24)29-21)28-16-17-8-4-2-5-9-17/h2-15H,16H2,1H3
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20n/an/an/an/an/an/an/an/a



Martin-Luther University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of GSK3beta


Bioorg Med Chem Lett 22: 6914-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.006
BindingDB Entry DOI: 10.7270/Q2M61MC1
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50395892
PNG
(CHEMBL2163772)
Show SMILES Oc1ccc2oc3ncc(O)c(-c4ccccc4)c3c2c1
Show InChI InChI=1S/C17H11NO3/c19-11-6-7-14-12(8-11)16-15(10-4-2-1-3-5-10)13(20)9-18-17(16)21-14/h1-9,19-20H
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20n/an/an/an/an/an/an/an/a



Martin-Luther University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of GSK3beta


Bioorg Med Chem Lett 22: 6914-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.006
BindingDB Entry DOI: 10.7270/Q2M61MC1
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50395894
PNG
(CHEMBL2163771)
Show SMILES Oc1cnc2oc3c(cc(O)c4ccccc34)c2c1-c1ccccc1
Show InChI InChI=1S/C21H13NO3/c23-16-10-15-19-18(12-6-2-1-3-7-12)17(24)11-22-21(19)25-20(15)14-9-5-4-8-13(14)16/h1-11,23-24H
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70n/an/an/an/an/an/an/an/a



Martin-Luther University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p25


Bioorg Med Chem Lett 22: 6914-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.006
BindingDB Entry DOI: 10.7270/Q2M61MC1
More data for this
Ligand-Target Pair
Cyclin B/Cyclin-Dependent Kinase 1 (CDK1)/G2/mitotic-specific cyclin B2/G2/mitotic-specific cyclin B3


(Homo sapiens (Human))
BDBM50395887
PNG
(CHEMBL2163770)
Show SMILES Oc1cc2c(oc3ncc(OCc4ccccc4)c(-c4ccccc4)c23)c2ccccc12
Show InChI InChI=1S/C28H19NO3/c30-23-15-22-26-25(19-11-5-2-6-12-19)24(31-17-18-9-3-1-4-10-18)16-29-28(26)32-27(22)21-14-8-7-13-20(21)23/h1-16,30H,17H2
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90n/an/an/an/an/an/an/an/a



Martin-Luther University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of CDK1/Cyclin B


Bioorg Med Chem Lett 22: 6914-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.006
BindingDB Entry DOI: 10.7270/Q2M61MC1
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50395892
PNG
(CHEMBL2163772)
Show SMILES Oc1ccc2oc3ncc(O)c(-c4ccccc4)c3c2c1
Show InChI InChI=1S/C17H11NO3/c19-11-6-7-14-12(8-11)16-15(10-4-2-1-3-5-10)13(20)9-18-17(16)21-14/h1-9,19-20H
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110n/an/an/an/an/an/an/an/a



Martin-Luther University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p25


Bioorg Med Chem Lett 22: 6914-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.006
BindingDB Entry DOI: 10.7270/Q2M61MC1
More data for this
Ligand-Target Pair
CDK2/Cyclin E/G1/S-specific cyclin E2


(Homo sapiens (Human))
BDBM50395892
PNG
(CHEMBL2163772)
Show SMILES Oc1ccc2oc3ncc(O)c(-c4ccccc4)c3c2c1
Show InChI InChI=1S/C17H11NO3/c19-11-6-7-14-12(8-11)16-15(10-4-2-1-3-5-10)13(20)9-18-17(16)21-14/h1-9,19-20H
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600n/an/an/an/an/an/an/an/a



Martin-Luther University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin E


Bioorg Med Chem Lett 22: 6914-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.006
BindingDB Entry DOI: 10.7270/Q2M61MC1
More data for this
Ligand-Target Pair
Cyclin B/Cyclin-Dependent Kinase 1 (CDK1)/G2/mitotic-specific cyclin B2/G2/mitotic-specific cyclin B3


(Homo sapiens (Human))
BDBM50395894
PNG
(CHEMBL2163771)
Show SMILES Oc1cnc2oc3c(cc(O)c4ccccc34)c2c1-c1ccccc1
Show InChI InChI=1S/C21H13NO3/c23-16-10-15-19-18(12-6-2-1-3-7-12)17(24)11-22-21(19)25-20(15)14-9-5-4-8-13(14)16/h1-11,23-24H
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700n/an/an/an/an/an/an/an/a



Martin-Luther University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of CDK1/Cyclin B


Bioorg Med Chem Lett 22: 6914-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.006
BindingDB Entry DOI: 10.7270/Q2M61MC1
More data for this
Ligand-Target Pair
Cyclin B/Cyclin-Dependent Kinase 1 (CDK1)/G2/mitotic-specific cyclin B2/G2/mitotic-specific cyclin B3


(Homo sapiens (Human))
BDBM50395888
PNG
(CHEMBL2163769)
Show SMILES Cc1cc2oc3ncc(OCc4ccccc4)c(-c4ccccc4)c3c2cc1O
Show InChI InChI=1S/C25H19NO3/c1-16-12-21-19(13-20(16)27)24-23(18-10-6-3-7-11-18)22(14-26-25(24)29-21)28-15-17-8-4-2-5-9-17/h2-14,27H,15H2,1H3
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1.30E+3n/an/an/an/an/an/an/an/a



Martin-Luther University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of CDK1/Cyclin B


Bioorg Med Chem Lett 22: 6914-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.006
BindingDB Entry DOI: 10.7270/Q2M61MC1
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50395887
PNG
(CHEMBL2163770)
Show SMILES Oc1cc2c(oc3ncc(OCc4ccccc4)c(-c4ccccc4)c23)c2ccccc12
Show InChI InChI=1S/C28H19NO3/c30-23-15-22-26-25(19-11-5-2-6-12-19)24(31-17-18-9-3-1-4-10-18)16-29-28(26)32-27(22)21-14-8-7-13-20(21)23/h1-16,30H,17H2
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1.60E+3n/an/an/an/an/an/an/an/a



Martin-Luther University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of GSK3beta


Bioorg Med Chem Lett 22: 6914-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.006
BindingDB Entry DOI: 10.7270/Q2M61MC1
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50395887
PNG
(CHEMBL2163770)
Show SMILES Oc1cc2c(oc3ncc(OCc4ccccc4)c(-c4ccccc4)c23)c2ccccc12
Show InChI InChI=1S/C28H19NO3/c30-23-15-22-26-25(19-11-5-2-6-12-19)24(31-17-18-9-3-1-4-10-18)16-29-28(26)32-27(22)21-14-8-7-13-20(21)23/h1-16,30H,17H2
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2.10E+3n/an/an/an/an/an/an/an/a



Martin-Luther University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p25


Bioorg Med Chem Lett 22: 6914-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.006
BindingDB Entry DOI: 10.7270/Q2M61MC1
More data for this
Ligand-Target Pair
Cyclin B/Cyclin-Dependent Kinase 1 (CDK1)/G2/mitotic-specific cyclin B2/G2/mitotic-specific cyclin B3


(Homo sapiens (Human))
BDBM50395893
PNG
(CHEMBL1165662)
Show SMILES Oc1ccc2oc3ncc(OCc4ccccc4)c(-c4ccccc4)c3c2c1
Show InChI InChI=1S/C24H17NO3/c26-18-11-12-20-19(13-18)23-22(17-9-5-2-6-10-17)21(14-25-24(23)28-20)27-15-16-7-3-1-4-8-16/h1-14,26H,15H2
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2.30E+3n/an/an/an/an/an/an/an/a



Martin-Luther University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of CDK1/Cyclin B


Bioorg Med Chem Lett 22: 6914-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.006
BindingDB Entry DOI: 10.7270/Q2M61MC1
More data for this
Ligand-Target Pair
Cyclin B/Cyclin-Dependent Kinase 1 (CDK1)/G2/mitotic-specific cyclin B2/G2/mitotic-specific cyclin B3


(Homo sapiens (Human))
BDBM7453
PNG
(1-aza-9-oxafluorene deriv. 7b | 4-methoxy-3-phenyl...)
Show SMILES COc1cnc2oc3ccc(O)cc3c2c1-c1ccccc1
Show InChI InChI=1S/C18H13NO3/c1-21-15-10-19-18-17(16(15)11-5-3-2-4-6-11)13-9-12(20)7-8-14(13)22-18/h2-10,20H,1H3
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5.30E+3n/an/an/an/an/an/an/an/a



Martin-Luther University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of CDK1/Cyclin B


Bioorg Med Chem Lett 22: 6914-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.006
BindingDB Entry DOI: 10.7270/Q2M61MC1
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50395893
PNG
(CHEMBL1165662)
Show SMILES Oc1ccc2oc3ncc(OCc4ccccc4)c(-c4ccccc4)c3c2c1
Show InChI InChI=1S/C24H17NO3/c26-18-11-12-20-19(13-18)23-22(17-9-5-2-6-10-17)21(14-25-24(23)28-20)27-15-16-7-3-1-4-8-16/h1-14,26H,15H2
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5.80E+3n/an/an/an/an/an/an/an/a



Martin-Luther University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of GSK3beta


Bioorg Med Chem Lett 22: 6914-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.006
BindingDB Entry DOI: 10.7270/Q2M61MC1
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50395888
PNG
(CHEMBL2163769)
Show SMILES Cc1cc2oc3ncc(OCc4ccccc4)c(-c4ccccc4)c3c2cc1O
Show InChI InChI=1S/C25H19NO3/c1-16-12-21-19(13-20(16)27)24-23(18-10-6-3-7-11-18)22(14-26-25(24)29-21)28-15-17-8-4-2-5-9-17/h2-14,27H,15H2,1H3
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5.80E+3n/an/an/an/an/an/an/an/a



Martin-Luther University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of GSK3beta


Bioorg Med Chem Lett 22: 6914-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.006
BindingDB Entry DOI: 10.7270/Q2M61MC1
More data for this
Ligand-Target Pair
CDK2/Cyclin E/G1/S-specific cyclin E2


(Homo sapiens (Human))
BDBM50395893
PNG
(CHEMBL1165662)
Show SMILES Oc1ccc2oc3ncc(OCc4ccccc4)c(-c4ccccc4)c3c2c1
Show InChI InChI=1S/C24H17NO3/c26-18-11-12-20-19(13-18)23-22(17-9-5-2-6-10-17)21(14-25-24(23)28-20)27-15-16-7-3-1-4-8-16/h1-14,26H,15H2
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6.40E+3n/an/an/an/an/an/an/an/a



Martin-Luther University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin E


Bioorg Med Chem Lett 22: 6914-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.006
BindingDB Entry DOI: 10.7270/Q2M61MC1
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM7453
PNG
(1-aza-9-oxafluorene deriv. 7b | 4-methoxy-3-phenyl...)
Show SMILES COc1cnc2oc3ccc(O)cc3c2c1-c1ccccc1
Show InChI InChI=1S/C18H13NO3/c1-21-15-10-19-18-17(16(15)11-5-3-2-4-6-11)13-9-12(20)7-8-14(13)22-18/h2-10,20H,1H3
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1.48E+4n/an/an/an/an/an/an/an/a



Martin-Luther University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of GSK3beta


Bioorg Med Chem Lett 22: 6914-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.006
BindingDB Entry DOI: 10.7270/Q2M61MC1
More data for this
Ligand-Target Pair
CDK2/Cyclin E/G1/S-specific cyclin E2


(Homo sapiens (Human))
BDBM7453
PNG
(1-aza-9-oxafluorene deriv. 7b | 4-methoxy-3-phenyl...)
Show SMILES COc1cnc2oc3ccc(O)cc3c2c1-c1ccccc1
Show InChI InChI=1S/C18H13NO3/c1-21-15-10-19-18-17(16(15)11-5-3-2-4-6-11)13-9-12(20)7-8-14(13)22-18/h2-10,20H,1H3
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2.40E+4n/an/an/an/an/an/an/an/a



Martin-Luther University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin E


Bioorg Med Chem Lett 22: 6914-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.006
BindingDB Entry DOI: 10.7270/Q2M61MC1
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50395888
PNG
(CHEMBL2163769)
Show SMILES Cc1cc2oc3ncc(OCc4ccccc4)c(-c4ccccc4)c3c2cc1O
Show InChI InChI=1S/C25H19NO3/c1-16-12-21-19(13-20(16)27)24-23(18-10-6-3-7-11-18)22(14-26-25(24)29-21)28-15-17-8-4-2-5-9-17/h2-14,27H,15H2,1H3
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2.53E+4n/an/an/an/an/an/an/an/a



Martin-Luther University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p25


Bioorg Med Chem Lett 22: 6914-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.006
BindingDB Entry DOI: 10.7270/Q2M61MC1
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50395890
PNG
(CHEMBL2163774)
Show SMILES COc1ccc2oc3ncc(OCc4ccccc4)c(-c4ccccc4)c3c2c1
Show InChI InChI=1S/C25H19NO3/c1-27-19-12-13-21-20(14-19)24-23(18-10-6-3-7-11-18)22(15-26-25(24)29-21)28-16-17-8-4-2-5-9-17/h2-15H,16H2,1H3
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2.61E+4n/an/an/an/an/an/an/an/a



Martin-Luther University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p25


Bioorg Med Chem Lett 22: 6914-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.006
BindingDB Entry DOI: 10.7270/Q2M61MC1
More data for this
Ligand-Target Pair
CDK2/Cyclin E/G1/S-specific cyclin E2


(Homo sapiens (Human))
BDBM50395891
PNG
(CHEMBL2163773)
Show SMILES COc1ccc2oc3ncc(OC)c(-c4ccccc4)c3c2c1
Show InChI InChI=1S/C19H15NO3/c1-21-13-8-9-15-14(10-13)18-17(12-6-4-3-5-7-12)16(22-2)11-20-19(18)23-15/h3-11H,1-2H3
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1.47E+5n/an/an/an/an/an/an/an/a



Martin-Luther University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin E


Bioorg Med Chem Lett 22: 6914-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.006
BindingDB Entry DOI: 10.7270/Q2M61MC1
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM7453
PNG
(1-aza-9-oxafluorene deriv. 7b | 4-methoxy-3-phenyl...)
Show SMILES COc1cnc2oc3ccc(O)cc3c2c1-c1ccccc1
Show InChI InChI=1S/C18H13NO3/c1-21-15-10-19-18-17(16(15)11-5-3-2-4-6-11)13-9-12(20)7-8-14(13)22-18/h2-10,20H,1H3
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2.17E+5n/an/an/an/an/an/an/an/a



Martin-Luther University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p25


Bioorg Med Chem Lett 22: 6914-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.006
BindingDB Entry DOI: 10.7270/Q2M61MC1
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50395892
PNG
(CHEMBL2163772)
Show SMILES Oc1ccc2oc3ncc(O)c(-c4ccccc4)c3c2c1
Show InChI InChI=1S/C17H11NO3/c19-11-6-7-14-12(8-11)16-15(10-4-2-1-3-5-10)13(20)9-18-17(16)21-14/h1-9,19-20H
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2.96E+5n/an/an/an/an/an/an/an/a



Martin-Luther University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of EGFR


Bioorg Med Chem Lett 22: 6914-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.006
BindingDB Entry DOI: 10.7270/Q2M61MC1
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 6/G1/S-specific cyclin D1


(Homo sapiens (Human))
BDBM50395892
PNG
(CHEMBL2163772)
Show SMILES Oc1ccc2oc3ncc(O)c(-c4ccccc4)c3c2c1
Show InChI InChI=1S/C17H11NO3/c19-11-6-7-14-12(8-11)16-15(10-4-2-1-3-5-10)13(20)9-18-17(16)21-14/h1-9,19-20H
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7.73E+5n/an/an/an/an/an/an/an/a



Martin-Luther University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of CDK6/Cyclin D1


Bioorg Med Chem Lett 22: 6914-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.006
BindingDB Entry DOI: 10.7270/Q2M61MC1
More data for this
Ligand-Target Pair
Protein kinase C, gamma


(Homo sapiens (Human))
BDBM50395892
PNG
(CHEMBL2163772)
Show SMILES Oc1ccc2oc3ncc(O)c(-c4ccccc4)c3c2c1
Show InChI InChI=1S/C17H11NO3/c19-11-6-7-14-12(8-11)16-15(10-4-2-1-3-5-10)13(20)9-18-17(16)21-14/h1-9,19-20H
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>1.00E+6n/an/an/an/an/an/an/an/a



Martin-Luther University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of PKCgamma


Bioorg Med Chem Lett 22: 6914-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.006
BindingDB Entry DOI: 10.7270/Q2M61MC1
More data for this
Ligand-Target Pair
Protein kinase C, epsilon


(Homo sapiens (Human))
BDBM50395892
PNG
(CHEMBL2163772)
Show SMILES Oc1ccc2oc3ncc(O)c(-c4ccccc4)c3c2c1
Show InChI InChI=1S/C17H11NO3/c19-11-6-7-14-12(8-11)16-15(10-4-2-1-3-5-10)13(20)9-18-17(16)21-14/h1-9,19-20H
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>1.00E+6n/an/an/an/an/an/an/an/a



Martin-Luther University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of PKCepsilon


Bioorg Med Chem Lett 22: 6914-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.006
BindingDB Entry DOI: 10.7270/Q2M61MC1
More data for this
Ligand-Target Pair
Protein kinase C iota (PKCι)


(Homo sapiens (Human))
BDBM50395892
PNG
(CHEMBL2163772)
Show SMILES Oc1ccc2oc3ncc(O)c(-c4ccccc4)c3c2c1
Show InChI InChI=1S/C17H11NO3/c19-11-6-7-14-12(8-11)16-15(10-4-2-1-3-5-10)13(20)9-18-17(16)21-14/h1-9,19-20H
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>1.00E+6n/an/an/an/an/an/an/an/a



Martin-Luther University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of PKCiota


Bioorg Med Chem Lett 22: 6914-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.006
BindingDB Entry DOI: 10.7270/Q2M61MC1
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50395892
PNG
(CHEMBL2163772)
Show SMILES Oc1ccc2oc3ncc(O)c(-c4ccccc4)c3c2c1
Show InChI InChI=1S/C17H11NO3/c19-11-6-7-14-12(8-11)16-15(10-4-2-1-3-5-10)13(20)9-18-17(16)21-14/h1-9,19-20H
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>1.00E+6n/an/an/an/an/an/an/an/a



Martin-Luther University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2


Bioorg Med Chem Lett 22: 6914-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.006
BindingDB Entry DOI: 10.7270/Q2M61MC1
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50395892
PNG
(CHEMBL2163772)
Show SMILES Oc1ccc2oc3ncc(O)c(-c4ccccc4)c3c2c1
Show InChI InChI=1S/C17H11NO3/c19-11-6-7-14-12(8-11)16-15(10-4-2-1-3-5-10)13(20)9-18-17(16)21-14/h1-9,19-20H
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>1.00E+6n/an/an/an/an/an/an/an/a



Martin-Luther University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of ERBB2


Bioorg Med Chem Lett 22: 6914-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.006
BindingDB Entry DOI: 10.7270/Q2M61MC1
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50395892
PNG
(CHEMBL2163772)
Show SMILES Oc1ccc2oc3ncc(O)c(-c4ccccc4)c3c2c1
Show InChI InChI=1S/C17H11NO3/c19-11-6-7-14-12(8-11)16-15(10-4-2-1-3-5-10)13(20)9-18-17(16)21-14/h1-9,19-20H
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>1.00E+6n/an/an/an/an/an/an/an/a



Martin-Luther University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of TIE2


Bioorg Med Chem Lett 22: 6914-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.006
BindingDB Entry DOI: 10.7270/Q2M61MC1
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50395892
PNG
(CHEMBL2163772)
Show SMILES Oc1ccc2oc3ncc(O)c(-c4ccccc4)c3c2c1
Show InChI InChI=1S/C17H11NO3/c19-11-6-7-14-12(8-11)16-15(10-4-2-1-3-5-10)13(20)9-18-17(16)21-14/h1-9,19-20H
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>1.00E+6n/an/an/an/an/an/an/an/a



Martin-Luther University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of WEE1


Bioorg Med Chem Lett 22: 6914-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.006
BindingDB Entry DOI: 10.7270/Q2M61MC1
More data for this
Ligand-Target Pair
Casein kinase I isoform alpha


(Homo sapiens (Human))
BDBM50395892
PNG
(CHEMBL2163772)
Show SMILES Oc1ccc2oc3ncc(O)c(-c4ccccc4)c3c2c1
Show InChI InChI=1S/C17H11NO3/c19-11-6-7-14-12(8-11)16-15(10-4-2-1-3-5-10)13(20)9-18-17(16)21-14/h1-9,19-20H
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>1.00E+6n/an/an/an/an/an/an/an/a



Martin-Luther University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of Ck1alpha1


Bioorg Med Chem Lett 22: 6914-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.006
BindingDB Entry DOI: 10.7270/Q2M61MC1
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50395891
PNG
(CHEMBL2163773)
Show SMILES COc1ccc2oc3ncc(OC)c(-c4ccccc4)c3c2c1
Show InChI InChI=1S/C19H15NO3/c1-21-13-8-9-15-14(10-13)18-17(12-6-4-3-5-7-12)16(22-2)11-20-19(18)23-15/h3-11H,1-2H3
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>1.00E+6n/an/an/an/an/an/an/an/a



Martin-Luther University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of GSK3beta


Bioorg Med Chem Lett 22: 6914-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.006
BindingDB Entry DOI: 10.7270/Q2M61MC1
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50395889
PNG
(CHEMBL2163768)
Show SMILES COc1ccc2oc3ncc(O)c(-c4ccccc4)c3c2c1
Show InChI InChI=1S/C18H13NO3/c1-21-12-7-8-15-13(9-12)17-16(11-5-3-2-4-6-11)14(20)10-19-18(17)22-15/h2-10,20H,1H3
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>1.00E+6n/an/an/an/an/an/an/an/a



Martin-Luther University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of GSK3beta


Bioorg Med Chem Lett 22: 6914-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.006
BindingDB Entry DOI: 10.7270/Q2M61MC1
More data for this
Ligand-Target Pair
CDK2/Cyclin E/G1/S-specific cyclin E2


(Homo sapiens (Human))
BDBM50395890
PNG
(CHEMBL2163774)
Show SMILES COc1ccc2oc3ncc(OCc4ccccc4)c(-c4ccccc4)c3c2c1
Show InChI InChI=1S/C25H19NO3/c1-27-19-12-13-21-20(14-19)24-23(18-10-6-3-7-11-18)22(15-26-25(24)29-21)28-16-17-8-4-2-5-9-17/h2-15H,16H2,1H3
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>1.00E+6n/an/an/an/an/an/an/an/a



Martin-Luther University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin E


Bioorg Med Chem Lett 22: 6914-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.006
BindingDB Entry DOI: 10.7270/Q2M61MC1
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50395891
PNG
(CHEMBL2163773)
Show SMILES COc1ccc2oc3ncc(OC)c(-c4ccccc4)c3c2c1
Show InChI InChI=1S/C19H15NO3/c1-21-13-8-9-15-14(10-13)18-17(12-6-4-3-5-7-12)16(22-2)11-20-19(18)23-15/h3-11H,1-2H3
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>1.00E+6n/an/an/an/an/an/an/an/a



Martin-Luther University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p25


Bioorg Med Chem Lett 22: 6914-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.006
BindingDB Entry DOI: 10.7270/Q2M61MC1
More data for this
Ligand-Target Pair
Cyclin B/Cyclin-Dependent Kinase 1 (CDK1)/G2/mitotic-specific cyclin B2/G2/mitotic-specific cyclin B3


(Homo sapiens (Human))
BDBM50395889
PNG
(CHEMBL2163768)
Show SMILES COc1ccc2oc3ncc(O)c(-c4ccccc4)c3c2c1
Show InChI InChI=1S/C18H13NO3/c1-21-12-7-8-15-13(9-12)17-16(11-5-3-2-4-6-11)14(20)10-19-18(17)22-15/h2-10,20H,1H3
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>1.00E+6n/an/an/an/an/an/an/an/a



Martin-Luther University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of CDK1/Cyclin B


Bioorg Med Chem Lett 22: 6914-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.006
BindingDB Entry DOI: 10.7270/Q2M61MC1
More data for this
Ligand-Target Pair
CDK2/Cyclin E/G1/S-specific cyclin E2


(Homo sapiens (Human))
BDBM50395889
PNG
(CHEMBL2163768)
Show SMILES COc1ccc2oc3ncc(O)c(-c4ccccc4)c3c2c1
Show InChI InChI=1S/C18H13NO3/c1-21-12-7-8-15-13(9-12)17-16(11-5-3-2-4-6-11)14(20)10-19-18(17)22-15/h2-10,20H,1H3
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>1.00E+6n/an/an/an/an/an/an/an/a



Martin-Luther University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin E


Bioorg Med Chem Lett 22: 6914-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.006
BindingDB Entry DOI: 10.7270/Q2M61MC1
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50395893
PNG
(CHEMBL1165662)
Show SMILES Oc1ccc2oc3ncc(OCc4ccccc4)c(-c4ccccc4)c3c2c1
Show InChI InChI=1S/C24H17NO3/c26-18-11-12-20-19(13-18)23-22(17-9-5-2-6-10-17)21(14-25-24(23)28-20)27-15-16-7-3-1-4-8-16/h1-14,26H,15H2
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>1.00E+6n/an/an/an/an/an/an/an/a



Martin-Luther University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p25


Bioorg Med Chem Lett 22: 6914-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.006
BindingDB Entry DOI: 10.7270/Q2M61MC1
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50395889
PNG
(CHEMBL2163768)
Show SMILES COc1ccc2oc3ncc(O)c(-c4ccccc4)c3c2c1
Show InChI InChI=1S/C18H13NO3/c1-21-12-7-8-15-13(9-12)17-16(11-5-3-2-4-6-11)14(20)10-19-18(17)22-15/h2-10,20H,1H3
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>1.00E+6n/an/an/an/an/an/an/an/a



Martin-Luther University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p25


Bioorg Med Chem Lett 22: 6914-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.006
BindingDB Entry DOI: 10.7270/Q2M61MC1
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50395892
PNG
(CHEMBL2163772)
Show SMILES Oc1ccc2oc3ncc(O)c(-c4ccccc4)c3c2c1
Show InChI InChI=1S/C17H11NO3/c19-11-6-7-14-12(8-11)16-15(10-4-2-1-3-5-10)13(20)9-18-17(16)21-14/h1-9,19-20H
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>1.00E+6n/an/an/an/an/an/an/an/a



Martin-Luther University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of PKCalpha


Bioorg Med Chem Lett 22: 6914-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.006
BindingDB Entry DOI: 10.7270/Q2M61MC1
More data for this
Ligand-Target Pair
Cyclin B/Cyclin-Dependent Kinase 1 (CDK1)/G2/mitotic-specific cyclin B2/G2/mitotic-specific cyclin B3


(Homo sapiens (Human))
BDBM50395891
PNG
(CHEMBL2163773)
Show SMILES COc1ccc2oc3ncc(OC)c(-c4ccccc4)c3c2c1
Show InChI InChI=1S/C19H15NO3/c1-21-13-8-9-15-14(10-13)18-17(12-6-4-3-5-7-12)16(22-2)11-20-19(18)23-15/h3-11H,1-2H3
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>1.00E+6n/an/an/an/an/an/an/an/a



Martin-Luther University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of CDK1/Cyclin B


Bioorg Med Chem Lett 22: 6914-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.006
BindingDB Entry DOI: 10.7270/Q2M61MC1
More data for this
Ligand-Target Pair
Cyclin B/Cyclin-Dependent Kinase 1 (CDK1)/G2/mitotic-specific cyclin B2/G2/mitotic-specific cyclin B3


(Homo sapiens (Human))
BDBM50395890
PNG
(CHEMBL2163774)
Show SMILES COc1ccc2oc3ncc(OCc4ccccc4)c(-c4ccccc4)c3c2c1
Show InChI InChI=1S/C25H19NO3/c1-27-19-12-13-21-20(14-19)24-23(18-10-6-3-7-11-18)22(15-26-25(24)29-21)28-16-17-8-4-2-5-9-17/h2-15H,16H2,1H3
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>1.00E+6n/an/an/an/an/an/an/an/a



Martin-Luther University Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of CDK1/Cyclin B


Bioorg Med Chem Lett 22: 6914-8 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.006
BindingDB Entry DOI: 10.7270/Q2M61MC1
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM19331
PNG
(CHEMBL266063 | N-[(1R)-2-(1H-indol-3-yl)-1-{5-[2-(...)
Show SMILES COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C2CCNCC2)cc1 |r|
Show InChI InChI=1S/C36H39N7O2/c1-45-28-13-10-24(11-14-28)23-43-34(15-12-26-21-38-31-8-4-2-6-29(26)31)41-42-35(43)33(40-36(44)25-16-18-37-19-17-25)20-27-22-39-32-9-5-3-7-30(27)32/h2-11,13-14,21-22,25,33,37-39H,12,15-20,23H2,1H3,(H,40,44)/t33-/m1/s1
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n/an/a 0.300n/a 3n/an/an/an/a



CNRS



Assay Description
Specific binding was determined by incubation of membranes from GHS-R1a transfected LLC cells with 125I-His9-ghrelin in the presence of increasing co...


J Med Chem 50: 5790-5806 (2007)


Article DOI: 10.1021/jm0704550
BindingDB Entry DOI: 10.7270/Q2HD7SZ4
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50366689
PNG
(GHRELIN)
Show SMILES CCCCCCCC(=O)OC[C@H](NC(=O)CNC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(O)=O |r,wU:65.67,185.189,192.197,230.236,120.122,11.11,69.70,129.131,19.19,164.166,37.36,173.175,201.205,48.48,218.222,111.113,56.56,wD:106.109,196.201,31.30,140.142,78.79,149.151,158.160,88.90,97.99,210.214,(-10.37,-25.43,;-9.06,-26.25,;-7.69,-25.54,;-6.4,-26.34,;-5.04,-25.62,;-3.72,-26.44,;-2.37,-25.72,;-2.31,-24.18,;-3.63,-23.36,;-.95,-23.47,;-.89,-21.92,;.45,-21.2,;1.74,-22.05,;1.71,-23.59,;.35,-24.3,;3.02,-24.41,;2.96,-25.94,;4.26,-26.76,;5.62,-26.03,;4.21,-28.3,;5.52,-29.12,;2.86,-29.01,;1.55,-28.21,;.19,-28.92,;-1.13,-28.13,;-2.49,-28.84,;-2.56,-30.38,;-3.82,-28.04,;.51,-19.67,;1.87,-18.94,;-.8,-18.87,;-.72,-17.33,;.63,-16.62,;.68,-15.08,;-2.02,-16.52,;-3.39,-17.24,;-1.98,-14.98,;-3.28,-14.16,;-4.66,-14.88,;-5.95,-14.06,;-7.3,-14.78,;-8.59,-13.97,;-8.55,-12.43,;-7.19,-11.7,;-5.88,-12.51,;-3.24,-12.62,;-4.54,-11.8,;-1.88,-11.9,;-1.81,-10.36,;-3.12,-9.54,;-3.06,-8,;-4.37,-7.19,;-1.71,-7.28,;-.46,-9.64,;.85,-10.45,;-.4,-8.1,;.96,-7.38,;1.01,-5.83,;-.31,-5.04,;2.26,-8.19,;1.95,-9.69,;3.72,-7.72,;4.22,-6.25,;5.76,-6.25,;6.23,-7.71,;4.98,-8.61,;4.98,-10.16,;3.64,-10.92,;6.3,-10.95,;7.63,-10.18,;7.63,-8.64,;8.96,-7.87,;8.96,-6.33,;10.28,-5.58,;7.63,-5.56,;8.96,-10.94,;10.3,-10.18,;8.94,-12.48,;7.6,-13.24,;6.26,-12.47,;4.93,-13.24,;3.52,-12.6,;2.48,-13.74,;3.25,-15.07,;4.76,-14.77,;7.6,-14.78,;8.93,-15.55,;6.27,-15.55,;6.27,-17.09,;4.93,-17.86,;4.93,-19.4,;3.6,-20.17,;2.27,-19.41,;3.6,-21.71,;7.6,-17.86,;7.6,-19.4,;8.93,-17.09,;10.27,-17.85,;10.27,-19.39,;11.62,-20.16,;11.62,-21.7,;12.94,-22.47,;12.93,-24.02,;11.62,-17.08,;12.94,-17.85,;11.61,-15.54,;12.94,-14.77,;14.28,-15.54,;12.94,-13.23,;11.61,-12.47,;14.27,-12.46,;14.28,-10.92,;12.95,-10.16,;12.95,-8.61,;11.61,-7.85,;10.24,-8.64,;11.61,-6.3,;15.6,-10.16,;16.95,-10.92,;15.56,-8.62,;16.9,-7.85,;16.9,-6.31,;15.56,-5.54,;15.56,-4,;16.85,-3.26,;14.22,-3.23,;18.23,-8.62,;18.23,-10.16,;19.57,-7.86,;20.92,-8.59,;22.25,-7.82,;22.25,-6.28,;23.59,-5.51,;24.89,-6.32,;26.21,-5.53,;27.53,-6.34,;26.19,-4.02,;20.92,-10.13,;19.58,-10.9,;22.23,-10.94,;22.26,-12.48,;20.93,-13.26,;20.93,-14.79,;19.59,-15.57,;18.26,-14.79,;18.23,-13.29,;23.59,-13.26,;23.59,-14.79,;24.93,-12.49,;26.28,-13.23,;26.28,-14.77,;27.62,-15.54,;27.62,-17.08,;26.27,-17.86,;28.95,-17.85,;27.62,-12.46,;27.62,-10.93,;28.94,-13.24,;30.27,-12.46,;31.6,-13.23,;32.93,-12.48,;30.27,-10.92,;28.94,-10.16,;31.61,-10.16,;31.62,-8.62,;30.29,-7.85,;30.29,-6.31,;28.95,-5.54,;28.95,-4,;27.61,-3.24,;32.95,-7.85,;34.28,-8.62,;32.94,-6.31,;34.27,-5.54,;34.27,-4,;32.94,-3.23,;32.94,-1.69,;31.61,-.92,;31.59,.62,;35.61,-6.31,;35.61,-7.85,;36.94,-5.54,;37.1,-4.04,;38.62,-3.7,;39.39,-5.03,;38.39,-6.18,;38.7,-7.66,;37.62,-8.74,;40.19,-8.15,;41.43,-7.23,;42.69,-8.12,;42.22,-9.6,;40.68,-9.6,;39.89,-10.92,;38.34,-10.89,;40.63,-12.27,;39.83,-13.59,;38.29,-13.57,;40.58,-14.95,;42.12,-14.97,;39.78,-16.26,;40.53,-17.61,;42.07,-17.63,;42.87,-16.31,;44.4,-16.34,;45.15,-17.69,;46.68,-17.73,;39.73,-18.92,;40.48,-20.27,;38.19,-18.9,;37.4,-20.22,;35.86,-20.19,;35.07,-21.51,;33.53,-21.48,;35.82,-22.85,;38.15,-21.56,;39.69,-21.6,;37.36,-22.88,;38.1,-24.23,;39.65,-24.27,;40.39,-25.61,;41.93,-25.64,;42.66,-26.99,;42.72,-24.32,;37.3,-25.55,;35.77,-25.52,;38.03,-26.89,;39.64,-27.11,;39.85,-28.64,;38.55,-29.35,;37.45,-28.32,;35.9,-28.61,;35.48,-30.09,;34.83,-27.5,)|
Show InChI InChI=1S/C147H245N45O42/c1-8-9-10-11-15-45-118(205)234-78-106(169-115(200)74-165-121(208)86(153)34-26-63-163-146(158)159)138(225)187-104(76-194)137(224)184-101(71-84-32-13-12-14-33-84)134(221)183-100(70-81(4)5)133(220)188-105(77-195)143(230)189-65-28-42-108(189)140(227)179-96(51-57-117(203)204)130(217)185-102(72-85-73-162-79-166-85)135(222)178-94(48-54-113(156)198)129(216)172-87(35-16-21-58-148)122(209)167-82(6)119(206)171-92(46-52-111(154)196)127(214)176-93(47-53-112(155)197)128(215)174-91(40-27-64-164-147(160)161)124(211)173-89(37-18-23-60-150)123(210)177-95(50-56-116(201)202)131(218)186-103(75-193)136(223)175-90(38-19-24-61-151)125(212)180-97(39-20-25-62-152)141(228)191-67-30-43-109(191)144(231)190-66-29-41-107(190)139(226)168-83(7)120(207)170-88(36-17-22-59-149)126(213)182-99(69-80(2)3)132(219)181-98(49-55-114(157)199)142(229)192-68-31-44-110(192)145(232)233/h12-14,32-33,73,79-83,86-110,193-195H,8-11,15-31,34-72,74-78,148-153H2,1-7H3,(H2,154,196)(H2,155,197)(H2,156,198)(H2,157,199)(H,162,166)(H,165,208)(H,167,209)(H,168,226)(H,169,200)(H,170,207)(H,171,206)(H,172,216)(H,173,211)(H,174,215)(H,175,223)(H,176,214)(H,177,210)(H,178,222)(H,179,227)(H,180,212)(H,181,219)(H,182,213)(H,183,221)(H,184,224)(H,185,217)(H,186,218)(H,187,225)(H,188,220)(H,201,202)(H,203,204)(H,232,233)(H4,158,159,163)(H4,160,161,164)/t82-,83-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-/m0/s1
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n/an/a 0.390n/an/an/an/an/an/a



Universit£ Montpellier I et II

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human Growth hormone secretagogue receptor type I in LLC PK-1 cells using [125I][His9]-ghrelin as radioligand


J Med Chem 46: 1191-203 (2003)


Article DOI: 10.1021/jm020985q
BindingDB Entry DOI: 10.7270/Q2HQ40NJ
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM19333
PNG
(N-[(1R)-1-{4-[(2,4-dimethoxyphenyl)methyl]-5-[2-(1...)
Show SMILES COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C2CCNCC2)c(OC)c1 |r|
Show InChI InChI=1S/C37H41N7O3/c1-46-28-13-11-26(34(20-28)47-2)23-44-35(14-12-25-21-39-31-9-5-3-7-29(25)31)42-43-36(44)33(41-37(45)24-15-17-38-18-16-24)19-27-22-40-32-10-6-4-8-30(27)32/h3-11,13,20-22,24,33,38-40H,12,14-19,23H2,1-2H3,(H,41,45)/t33-/m1/s1
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n/an/a 0.5n/a 0.600n/an/an/an/a



CNRS



Assay Description
Specific binding was determined by incubation of membranes from GHS-R1a transfected LLC cells with 125I-His9-ghrelin in the presence of increasing co...


J Med Chem 50: 5790-5806 (2007)


Article DOI: 10.1021/jm0704550
BindingDB Entry DOI: 10.7270/Q2HD7SZ4
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM19332
PNG
(N-[(1R)-2-(1H-indol-3-yl)-1-{4-[(4-methoxyphenyl)m...)
Show SMILES COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C2CCNCC2)cc1 |r|
Show InChI InChI=1S/C34H38N6O2/c1-42-28-14-11-25(12-15-28)23-40-32(16-13-24-7-3-2-4-8-24)38-39-33(40)31(37-34(41)26-17-19-35-20-18-26)21-27-22-36-30-10-6-5-9-29(27)30/h2-12,14-15,22,26,31,35-36H,13,16-21,23H2,1H3,(H,37,41)/t31-/m1/s1
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n/an/a 0.600n/a 1.60n/an/an/an/a



CNRS



Assay Description
Specific binding was determined by incubation of membranes from GHS-R1a transfected LLC cells with 125I-His9-ghrelin in the presence of increasing co...


J Med Chem 50: 5790-5806 (2007)


Article DOI: 10.1021/jm0704550
BindingDB Entry DOI: 10.7270/Q2HD7SZ4
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM19331
PNG
(CHEMBL266063 | N-[(1R)-2-(1H-indol-3-yl)-1-{5-[2-(...)
Show SMILES COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C2CCNCC2)cc1 |r|
Show InChI InChI=1S/C36H39N7O2/c1-45-28-13-10-24(11-14-28)23-43-34(15-12-26-21-38-31-8-4-2-6-29(26)31)41-42-35(43)33(40-36(44)25-16-18-37-19-17-25)20-27-22-39-32-9-5-3-7-30(27)32/h2-11,13-14,21-22,25,33,37-39H,12,15-20,23H2,1H3,(H,40,44)/t33-/m1/s1
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n/an/a 0.600n/an/an/an/an/an/a



Universités Montpellier 1

Curated by ChEMBL


Assay Description
Displacement of 125I-His9-ghrelin from human GHSR1a expressed in LLCPK1 cells


J Med Chem 51: 689-93 (2008)


Article DOI: 10.1021/jm701292s
BindingDB Entry DOI: 10.7270/Q2N0168Z
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50232281
PNG
((R)-N-((4-(4-methoxybenzyl)-5-phenethyl-4H-1,2,4-t...)
Show SMILES COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@H](NC(=O)c2ccccn2)c2c[nH]c3ccccc23)cc1
Show InChI InChI=1S/C33H30N6O2/c1-41-25-17-14-24(15-18-25)22-39-30(19-16-23-9-3-2-4-10-23)37-38-32(39)31(36-33(40)29-13-7-8-20-34-29)27-21-35-28-12-6-5-11-26(27)28/h2-15,17-18,20-21,31,35H,16,19,22H2,1H3,(H,36,40)/t31-/m1/s1
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n/an/a 0.700n/an/an/an/an/an/a



Universités Montpellier 1

Curated by ChEMBL


Assay Description
Displacement of 125I-His9-ghrelin from human GHSR1a expressed in LLCPK1 cells


J Med Chem 51: 689-93 (2008)


Article DOI: 10.1021/jm701292s
BindingDB Entry DOI: 10.7270/Q2N0168Z
More data for this
Ligand-Target Pair
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