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Compile Data Set for Download or QSAR

Found 234 hits Enz. Inhib. hit(s) with Target = 'PDZ-binding kinase'   
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
PDZ-binding kinase


(Homo sapiens)
BDBM148990
PNG
(US8962648, 51)
Show SMILES N[C@H]1CCN(C1)c1ccc2[nH]c(=O)c3sc(cc3c2c1)-c1ccc(O)cc1
Show InChI InChI=1S/C21H19N3O2S/c22-13-7-8-24(11-13)14-3-6-18-16(9-14)17-10-19(27-20(17)21(26)23-18)12-1-4-15(25)5-2-12/h1-6,9-10,13,25H,7-8,11,22H2,(H,23,26)/t13-/m0/s1
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n/an/a 78n/an/an/an/a7.425



OncoTherapy Science, Inc.

US Patent


Assay Description
PBK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a s...


US Patent US8962648 (2015)


BindingDB Entry DOI: 10.7270/Q27H1H9K
More data for this
Ligand-Target Pair
PDZ-binding kinase


(Homo sapiens)
BDBM148991
PNG
(US8962648, 61)
Show SMILES Oc1ccc2[nH]c(=O)c3sccc3c2c1-c1ccc2cn[nH]c2c1
Show InChI InChI=1S/C18H11N3O2S/c22-14-4-3-12-16(11-5-6-24-17(11)18(23)20-12)15(14)9-1-2-10-8-19-21-13(10)7-9/h1-8,22H,(H,19,21)(H,20,23)
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n/an/a 3.5n/an/an/an/a7.425



OncoTherapy Science, Inc.

US Patent


Assay Description
PBK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a s...


US Patent US8962648 (2015)


BindingDB Entry DOI: 10.7270/Q27H1H9K
More data for this
Ligand-Target Pair
PDZ-binding kinase


(Homo sapiens)
BDBM148992
PNG
(US8962648, 65)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1c(O)ccc2[nH]c(=O)c3sccc3c12
Show InChI InChI=1S/C17H12N2O4S2/c18-25(22,23)10-3-1-9(2-4-10)14-13(20)6-5-12-15(14)11-7-8-24-16(11)17(21)19-12/h1-8,20H,(H,19,21)(H2,18,22,23)
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n/an/a 1.80n/an/an/an/a7.425



OncoTherapy Science, Inc.

US Patent


Assay Description
PBK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a s...


US Patent US8962648 (2015)


BindingDB Entry DOI: 10.7270/Q27H1H9K
More data for this
Ligand-Target Pair
PDZ-binding kinase


(Homo sapiens)
BDBM148993
PNG
(US8962648, 72 | US8962648, 73)
Show SMILES NCc1ccc(cc1)-c1c(O)ccc2[nH]c(=O)c3sccc3c12
Show InChI InChI=1S/C18H14N2O2S/c19-9-10-1-3-11(4-2-10)15-14(21)6-5-13-16(15)12-7-8-23-17(12)18(22)20-13/h1-8,21H,9,19H2,(H,20,22)
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n/an/a 0.630n/an/an/an/a7.425



OncoTherapy Science, Inc.

US Patent


Assay Description
PBK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a s...


US Patent US8962648 (2015)


BindingDB Entry DOI: 10.7270/Q27H1H9K
More data for this
Ligand-Target Pair
PDZ-binding kinase


(Homo sapiens)
BDBM148993
PNG
(US8962648, 72 | US8962648, 73)
Show SMILES NCc1ccc(cc1)-c1c(O)ccc2[nH]c(=O)c3sccc3c12
Show InChI InChI=1S/C18H14N2O2S/c19-9-10-1-3-11(4-2-10)15-14(21)6-5-13-16(15)12-7-8-23-17(12)18(22)20-13/h1-8,21H,9,19H2,(H,20,22)
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n/an/a 0.380n/an/an/an/a7.425



OncoTherapy Science, Inc.

US Patent


Assay Description
PBK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a s...


US Patent US8962648 (2015)


BindingDB Entry DOI: 10.7270/Q27H1H9K
More data for this
Ligand-Target Pair
PDZ-binding kinase


(Homo sapiens)
BDBM148995
PNG
(US8962648, 77)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1c(O)ccc2[nH]c(=O)c3sccc3c12
Show InChI InChI=1S/C18H14N2O4S2/c1-26(23,24)20-11-4-2-10(3-5-11)15-14(21)7-6-13-16(15)12-8-9-25-17(12)18(22)19-13/h2-9,20-21H,1H3,(H,19,22)
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n/an/a 2.60n/an/an/an/a7.425



OncoTherapy Science, Inc.

US Patent


Assay Description
PBK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a s...


US Patent US8962648 (2015)


BindingDB Entry DOI: 10.7270/Q27H1H9K
More data for this
Ligand-Target Pair
PDZ-binding kinase


(Homo sapiens)
BDBM148996
PNG
(US8962648, 81)
Show SMILES Oc1ccc2[nH]c(=O)c3sccc3c2c1-c1ccc(CC#N)cc1
Show InChI InChI=1S/C19H12N2O2S/c20-9-7-11-1-3-12(4-2-11)16-15(22)6-5-14-17(16)13-8-10-24-18(13)19(23)21-14/h1-6,8,10,22H,7H2,(H,21,23)
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n/an/a 12n/an/an/an/a7.425



OncoTherapy Science, Inc.

US Patent


Assay Description
PBK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a s...


US Patent US8962648 (2015)


BindingDB Entry DOI: 10.7270/Q27H1H9K
More data for this
Ligand-Target Pair
PDZ-binding kinase


(Homo sapiens)
BDBM148997
PNG
(US8962648, 84)
Show SMILES Oc1ccc2[nH]c(=O)c3sccc3c2c1C1=CCNCC1
Show InChI InChI=1S/C16H14N2O2S/c19-12-2-1-11-14(13(12)9-3-6-17-7-4-9)10-5-8-21-15(10)16(20)18-11/h1-3,5,8,17,19H,4,6-7H2,(H,18,20)
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n/an/a 0.780n/an/an/an/a7.425



OncoTherapy Science, Inc.

US Patent


Assay Description
PBK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a s...


US Patent US8962648 (2015)


BindingDB Entry DOI: 10.7270/Q27H1H9K
More data for this
Ligand-Target Pair
PDZ-binding kinase


(Homo sapiens)
BDBM148998
PNG
(US8962648, 93)
Show SMILES CN(C)CCc1ccc(cc1)-c1c(O)ccc2[nH]c(=O)c3sccc3c12
Show InChI InChI=1S/C21H20N2O2S/c1-23(2)11-9-13-3-5-14(6-4-13)18-17(24)8-7-16-19(18)15-10-12-26-20(15)21(25)22-16/h3-8,10,12,24H,9,11H2,1-2H3,(H,22,25)
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n/an/a 5.40n/an/an/an/a7.425



OncoTherapy Science, Inc.

US Patent


Assay Description
PBK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a s...


US Patent US8962648 (2015)


BindingDB Entry DOI: 10.7270/Q27H1H9K
More data for this
Ligand-Target Pair
PDZ-binding kinase


(Homo sapiens)
BDBM148999
PNG
(US8962648, 95)
Show SMILES Cc1cc2c(s1)c(=O)[nH]c1ccc(O)c(-c3ccc(CN)cc3)c21
Show InChI InChI=1S/C19H16N2O2S/c1-10-8-13-17-14(21-19(23)18(13)24-10)6-7-15(22)16(17)12-4-2-11(9-20)3-5-12/h2-8,22H,9,20H2,1H3,(H,21,23)
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n/an/a 4.40n/an/an/an/a7.425



OncoTherapy Science, Inc.

US Patent


Assay Description
PBK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a s...


US Patent US8962648 (2015)


BindingDB Entry DOI: 10.7270/Q27H1H9K
More data for this
Ligand-Target Pair
PDZ-binding kinase


(Homo sapiens)
BDBM149000
PNG
(US8962648, 112)
Show SMILES CS(=O)(=O)N1CCN(CC1)c1ccc(cc1)-c1c(O)ccc2[nH]c(=O)c3sccc3c12
Show InChI InChI=1S/C22H21N3O4S2/c1-31(28,29)25-11-9-24(10-12-25)15-4-2-14(3-5-15)19-18(26)7-6-17-20(19)16-8-13-30-21(16)22(27)23-17/h2-8,13,26H,9-12H2,1H3,(H,23,27)
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n/an/a 12n/an/an/an/a7.425



OncoTherapy Science, Inc.

US Patent


Assay Description
PBK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a s...


US Patent US8962648 (2015)


BindingDB Entry DOI: 10.7270/Q27H1H9K
More data for this
Ligand-Target Pair
PDZ-binding kinase


(Homo sapiens)
BDBM149001
PNG
(US8962648, 139)
Show SMILES COc1ccc2[nH]c(=O)c3sccc3c2c1-c1ccc(CN2CCC(CNC(=O)OC(C)(C)C)CC2)cc1
Show InChI InChI=1S/C30H35N3O4S/c1-30(2,3)37-29(35)31-17-19-11-14-33(15-12-19)18-20-5-7-21(8-6-20)25-24(36-4)10-9-23-26(25)22-13-16-38-27(22)28(34)32-23/h5-10,13,16,19H,11-12,14-15,17-18H2,1-4H3,(H,31,35)(H,32,34)
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n/an/a 9.40n/an/an/an/a7.425



OncoTherapy Science, Inc.

US Patent


Assay Description
PBK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a s...


US Patent US8962648 (2015)


BindingDB Entry DOI: 10.7270/Q27H1H9K
More data for this
Ligand-Target Pair
PDZ-binding kinase


(Homo sapiens)
BDBM149002
PNG
(US8962648, 145)
Show SMILES CCN(CC)CCNCCCOc1ccc(cc1)-c1c(OC)ccc2[nH]c(=O)c3sccc3c12
Show InChI InChI=1S/C27H33N3O3S/c1-4-30(5-2)16-15-28-14-6-17-33-20-9-7-19(8-10-20)24-23(32-3)12-11-22-25(24)21-13-18-34-26(21)27(31)29-22/h7-13,18,28H,4-6,14-17H2,1-3H3,(H,29,31)
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n/an/a 47n/an/an/an/a7.425



OncoTherapy Science, Inc.

US Patent


Assay Description
PBK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a s...


US Patent US8962648 (2015)


BindingDB Entry DOI: 10.7270/Q27H1H9K
More data for this
Ligand-Target Pair
PDZ-binding kinase


(Homo sapiens)
BDBM149003
PNG
(US8962648, 152)
Show SMILES COc1ccc2[nH]c(=O)c3sccc3c2c1\C=C\CN1CCC(N)CC1
Show InChI InChI=1S/C20H23N3O2S/c1-25-17-5-4-16-18(15-8-12-26-19(15)20(24)22-16)14(17)3-2-9-23-10-6-13(21)7-11-23/h2-5,8,12-13H,6-7,9-11,21H2,1H3,(H,22,24)/b3-2+
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n/an/a 31n/an/an/an/a7.425



OncoTherapy Science, Inc.

US Patent


Assay Description
PBK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a s...


US Patent US8962648 (2015)


BindingDB Entry DOI: 10.7270/Q27H1H9K
More data for this
Ligand-Target Pair
PDZ-binding kinase


(Homo sapiens)
BDBM149004
PNG
(US8962648, 164)
Show SMILES COc1ccc2[nH]c(=O)c3sccc3c2c1-c1ccc(CN(C)C)cc1
Show InChI InChI=1S/C21H20N2O2S/c1-23(2)12-13-4-6-14(7-5-13)18-17(25-3)9-8-16-19(18)15-10-11-26-20(15)21(24)22-16/h4-11H,12H2,1-3H3,(H,22,24)
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n/an/a 11n/an/an/an/a7.425



OncoTherapy Science, Inc.

US Patent


Assay Description
PBK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a s...


US Patent US8962648 (2015)


BindingDB Entry DOI: 10.7270/Q27H1H9K
More data for this
Ligand-Target Pair
PDZ-binding kinase


(Homo sapiens)
BDBM149005
PNG
(US8962648, 165)
Show SMILES CN(C)Cc1ccc(cc1)-c1c(O)ccc2[nH]c(=O)c3sccc3c12
Show InChI InChI=1S/C20H18N2O2S/c1-22(2)11-12-3-5-13(6-4-12)17-16(23)8-7-15-18(17)14-9-10-25-19(14)20(24)21-15/h3-10,23H,11H2,1-2H3,(H,21,24)
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n/an/a 6.90n/an/an/an/a7.425



OncoTherapy Science, Inc.

US Patent


Assay Description
PBK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a s...


US Patent US8962648 (2015)


BindingDB Entry DOI: 10.7270/Q27H1H9K
More data for this
Ligand-Target Pair
PDZ-binding kinase


(Homo sapiens)
BDBM149006
PNG
(US8962648, 169)
Show SMILES COc1ccc2[nH]c(=O)c3sccc3c2c1-c1ccc(CCN)cc1
Show InChI InChI=1S/C20H18N2O2S/c1-24-16-7-6-15-18(14-9-11-25-19(14)20(23)22-15)17(16)13-4-2-12(3-5-13)8-10-21/h2-7,9,11H,8,10,21H2,1H3,(H,22,23)
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n/an/a 22n/an/an/an/a7.425



OncoTherapy Science, Inc.

US Patent


Assay Description
PBK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a s...


US Patent US8962648 (2015)


BindingDB Entry DOI: 10.7270/Q27H1H9K
More data for this
Ligand-Target Pair
PDZ-binding kinase


(Homo sapiens)
BDBM149007
PNG
(US8962648, 175 | US8962648, 176)
Show SMILES NCCc1ccc(cc1)-c1c(O)ccc2[nH]c(=O)c3sccc3c12
Show InChI InChI=1S/C19H16N2O2S/c20-9-7-11-1-3-12(4-2-11)16-15(22)6-5-14-17(16)13-8-10-24-18(13)19(23)21-14/h1-6,8,10,22H,7,9,20H2,(H,21,23)
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n/an/a 1.20n/an/an/an/a7.425



OncoTherapy Science, Inc.

US Patent


Assay Description
PBK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a s...


US Patent US8962648 (2015)


BindingDB Entry DOI: 10.7270/Q27H1H9K
More data for this
Ligand-Target Pair
PDZ-binding kinase


(Homo sapiens)
BDBM149007
PNG
(US8962648, 175 | US8962648, 176)
Show SMILES NCCc1ccc(cc1)-c1c(O)ccc2[nH]c(=O)c3sccc3c12
Show InChI InChI=1S/C19H16N2O2S/c20-9-7-11-1-3-12(4-2-11)16-15(22)6-5-14-17(16)13-8-10-24-18(13)19(23)21-14/h1-6,8,10,22H,7,9,20H2,(H,21,23)
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n/an/a 1.10n/an/an/an/a7.425



OncoTherapy Science, Inc.

US Patent


Assay Description
PBK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a s...


US Patent US8962648 (2015)


BindingDB Entry DOI: 10.7270/Q27H1H9K
More data for this
Ligand-Target Pair
PDZ-binding kinase


(Homo sapiens)
BDBM149009
PNG
(US8962648, 184)
Show SMILES CCN(CC)Cc1ccc(cc1)-c1c(O)ccc2[nH]c(=O)c3sccc3c12
Show InChI InChI=1S/C22H22N2O2S/c1-3-24(4-2)13-14-5-7-15(8-6-14)19-18(25)10-9-17-20(19)16-11-12-27-21(16)22(26)23-17/h5-12,25H,3-4,13H2,1-2H3,(H,23,26)
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n/an/a 7.70n/an/an/an/a7.425



OncoTherapy Science, Inc.

US Patent


Assay Description
PBK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a s...


US Patent US8962648 (2015)


BindingDB Entry DOI: 10.7270/Q27H1H9K
More data for this
Ligand-Target Pair
PDZ-binding kinase


(Homo sapiens)
BDBM149010
PNG
(US8962648, 187)
Show SMILES CNCc1ccc(cc1)-c1c(O)ccc2[nH]c(=O)c3sccc3c12
Show InChI InChI=1S/C19H16N2O2S/c1-20-10-11-2-4-12(5-3-11)16-15(22)7-6-14-17(16)13-8-9-24-18(13)19(23)21-14/h2-9,20,22H,10H2,1H3,(H,21,23)
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n/an/a 0.900n/an/an/an/a7.425



OncoTherapy Science, Inc.

US Patent


Assay Description
PBK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a s...


US Patent US8962648 (2015)


BindingDB Entry DOI: 10.7270/Q27H1H9K
More data for this
Ligand-Target Pair
PDZ-binding kinase


(Homo sapiens)
BDBM149011
PNG
(US8962648, 188)
Show SMILES CNCc1ccc(cc1)-c1c(OC)ccc2[nH]c(=O)c3sccc3c12
Show InChI InChI=1S/C20H18N2O2S/c1-21-11-12-3-5-13(6-4-12)17-16(24-2)8-7-15-18(17)14-9-10-25-19(14)20(23)22-15/h3-10,21H,11H2,1-2H3,(H,22,23)
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n/an/a 7.80n/an/an/an/a7.425



OncoTherapy Science, Inc.

US Patent


Assay Description
PBK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a s...


US Patent US8962648 (2015)


BindingDB Entry DOI: 10.7270/Q27H1H9K
More data for this
Ligand-Target Pair
PDZ-binding kinase


(Homo sapiens)
BDBM149012
PNG
(US8962648, 191 | US8962648, 192)
Show SMILES CC(N(C)C)c1ccc(cc1)-c1c(O)ccc2[nH]c(=O)c3sccc3c12
Show InChI InChI=1S/C21H20N2O2S/c1-12(23(2)3)13-4-6-14(7-5-13)18-17(24)9-8-16-19(18)15-10-11-26-20(15)21(25)22-16/h4-12,24H,1-3H3,(H,22,25)
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n/an/a 1.60n/an/an/an/a7.425



OncoTherapy Science, Inc.

US Patent


Assay Description
PBK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a s...


US Patent US8962648 (2015)


BindingDB Entry DOI: 10.7270/Q27H1H9K
More data for this
Ligand-Target Pair
PDZ-binding kinase


(Homo sapiens)
BDBM149012
PNG
(US8962648, 191 | US8962648, 192)
Show SMILES CC(N(C)C)c1ccc(cc1)-c1c(O)ccc2[nH]c(=O)c3sccc3c12
Show InChI InChI=1S/C21H20N2O2S/c1-12(23(2)3)13-4-6-14(7-5-13)18-17(24)9-8-16-19(18)15-10-11-26-20(15)21(25)22-16/h4-12,24H,1-3H3,(H,22,25)
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n/an/a 1.90n/an/an/an/a7.425



OncoTherapy Science, Inc.

US Patent


Assay Description
PBK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a s...


US Patent US8962648 (2015)


BindingDB Entry DOI: 10.7270/Q27H1H9K
More data for this
Ligand-Target Pair
PDZ-binding kinase


(Homo sapiens)
BDBM149014
PNG
(US8962648, 193 | US8962648, 347)
Show SMILES CC(NS(C)(=O)=O)c1ccc(cc1)-c1c(O)ccc2[nH]c(=O)c3sccc3c12
Show InChI InChI=1S/C20H18N2O4S2/c1-11(22-28(2,25)26)12-3-5-13(6-4-12)17-16(23)8-7-15-18(17)14-9-10-27-19(14)20(24)21-15/h3-11,22-23H,1-2H3,(H,21,24)
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n/an/a 3.70n/an/an/an/a7.425



OncoTherapy Science, Inc.

US Patent


Assay Description
PBK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a s...


US Patent US8962648 (2015)


BindingDB Entry DOI: 10.7270/Q27H1H9K
More data for this
Ligand-Target Pair
PDZ-binding kinase


(Homo sapiens)
BDBM149015
PNG
(US8962648, 194)
Show SMILES CC(N1CCCC1)c1ccc(cc1)-c1c(O)ccc2[nH]c(=O)c3sccc3c12
Show InChI InChI=1S/C23H22N2O2S/c1-14(25-11-2-3-12-25)15-4-6-16(7-5-15)20-19(26)9-8-18-21(20)17-10-13-28-22(17)23(27)24-18/h4-10,13-14,26H,2-3,11-12H2,1H3,(H,24,27)
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n/an/a 2.80n/an/an/an/a7.425



OncoTherapy Science, Inc.

US Patent


Assay Description
PBK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a s...


US Patent US8962648 (2015)


BindingDB Entry DOI: 10.7270/Q27H1H9K
More data for this
Ligand-Target Pair
PDZ-binding kinase


(Homo sapiens)
BDBM149016
PNG
(US8962648, 195)
Show SMILES CC(N)c1ccc(cc1)-c1c(O)ccc2[nH]c(=O)c3sccc3c12
Show InChI InChI=1S/C19H16N2O2S/c1-10(20)11-2-4-12(5-3-11)16-15(22)7-6-14-17(16)13-8-9-24-18(13)19(23)21-14/h2-10,22H,20H2,1H3,(H,21,23)
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n/an/a 0.730n/an/an/an/a7.425



OncoTherapy Science, Inc.

US Patent


Assay Description
PBK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a s...


US Patent US8962648 (2015)


BindingDB Entry DOI: 10.7270/Q27H1H9K
More data for this
Ligand-Target Pair
PDZ-binding kinase


(Homo sapiens)
BDBM149017
PNG
(US8962648, 196)
Show SMILES CCN(CC)C(C)c1ccc(cc1)-c1c(O)ccc2[nH]c(=O)c3sccc3c12
Show InChI InChI=1S/C23H24N2O2S/c1-4-25(5-2)14(3)15-6-8-16(9-7-15)20-19(26)11-10-18-21(20)17-12-13-28-22(17)23(27)24-18/h6-14,26H,4-5H2,1-3H3,(H,24,27)
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n/an/a 4.5n/an/an/an/a7.425



OncoTherapy Science, Inc.

US Patent


Assay Description
PBK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a s...


US Patent US8962648 (2015)


BindingDB Entry DOI: 10.7270/Q27H1H9K
More data for this
Ligand-Target Pair
PDZ-binding kinase


(Homo sapiens)
BDBM149018
PNG
(US8962648, 210)
Show SMILES Oc1ccc2[nH]c(=O)c3sccc3c2c1-c1ccc(cc1)S(=O)(=O)NCCBr
Show InChI InChI=1S/C19H15BrN2O4S2/c20-8-9-21-28(25,26)12-3-1-11(2-4-12)16-15(23)6-5-14-17(16)13-7-10-27-18(13)19(24)22-14/h1-7,10,21,23H,8-9H2,(H,22,24)
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n/an/a 11.3n/an/an/an/a7.425



OncoTherapy Science, Inc.

US Patent


Assay Description
PBK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a s...


US Patent US8962648 (2015)


BindingDB Entry DOI: 10.7270/Q27H1H9K
More data for this
Ligand-Target Pair
PDZ-binding kinase


(Homo sapiens)
BDBM149019
PNG
(US8962648, 212)
Show SMILES CS(=O)(=O)NCc1ccc(cc1)-c1c(O)ccc2[nH]c(=O)c3sccc3c12
Show InChI InChI=1S/C19H16N2O4S2/c1-27(24,25)20-10-11-2-4-12(5-3-11)16-15(22)7-6-14-17(16)13-8-9-26-18(13)19(23)21-14/h2-9,20,22H,10H2,1H3,(H,21,23)
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n/an/a 5.5n/an/an/an/a7.425



OncoTherapy Science, Inc.

US Patent


Assay Description
PBK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a s...


US Patent US8962648 (2015)


BindingDB Entry DOI: 10.7270/Q27H1H9K
More data for this
Ligand-Target Pair
PDZ-binding kinase


(Homo sapiens)
BDBM149020
PNG
(US8962648, 216)
Show SMILES COc1ccc2[nH]c(=O)c3sccc3c2c1-c1ccc(cc1)C(C)N1CCCC1
Show InChI InChI=1S/C24H24N2O2S/c1-15(26-12-3-4-13-26)16-5-7-17(8-6-16)21-20(28-2)10-9-19-22(21)18-11-14-29-23(18)24(27)25-19/h5-11,14-15H,3-4,12-13H2,1-2H3,(H,25,27)
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n/an/a 21n/an/an/an/a7.425



OncoTherapy Science, Inc.

US Patent


Assay Description
PBK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a s...


US Patent US8962648 (2015)


BindingDB Entry DOI: 10.7270/Q27H1H9K
More data for this
Ligand-Target Pair
PDZ-binding kinase


(Homo sapiens)
BDBM149021
PNG
(US8962648, 217)
Show SMILES Nc1ccc(cc1O)-c1c(O)ccc2[nH]c(=O)c3sccc3c12
Show InChI InChI=1S/C17H12N2O3S/c18-10-2-1-8(7-13(10)21)14-12(20)4-3-11-15(14)9-5-6-23-16(9)17(22)19-11/h1-7,20-21H,18H2,(H,19,22)
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n/an/a 2.30n/an/an/an/a7.425



OncoTherapy Science, Inc.

US Patent


Assay Description
PBK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a s...


US Patent US8962648 (2015)


BindingDB Entry DOI: 10.7270/Q27H1H9K
More data for this
Ligand-Target Pair
PDZ-binding kinase


(Homo sapiens)
BDBM149022
PNG
(US8962648, 222)
Show SMILES COc1cc(F)c2[nH]c(=O)c3sccc3c2c1-c1ccc(CCN(C)C)cc1
Show InChI InChI=1S/C22H21FN2O2S/c1-25(2)10-8-13-4-6-14(7-5-13)18-17(27-3)12-16(23)20-19(18)15-9-11-28-21(15)22(26)24-20/h4-7,9,11-12H,8,10H2,1-3H3,(H,24,26)
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n/an/a 82n/an/an/an/a7.425



OncoTherapy Science, Inc.

US Patent


Assay Description
PBK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a s...


US Patent US8962648 (2015)


BindingDB Entry DOI: 10.7270/Q27H1H9K
More data for this
Ligand-Target Pair
PDZ-binding kinase


(Homo sapiens)
BDBM149023
PNG
(US8962648, 225)
Show SMILES CC(N(C)C)c1ccc(cc1)-c1c(O)cc(F)c2[nH]c(=O)c3sccc3c12
Show InChI InChI=1S/C21H19FN2O2S/c1-11(24(2)3)12-4-6-13(7-5-12)17-16(25)10-15(22)19-18(17)14-8-9-27-20(14)21(26)23-19/h4-11,25H,1-3H3,(H,23,26)
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n/an/a 23n/an/an/an/a7.425



OncoTherapy Science, Inc.

US Patent


Assay Description
PBK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a s...


US Patent US8962648 (2015)


BindingDB Entry DOI: 10.7270/Q27H1H9K
More data for this
Ligand-Target Pair
PDZ-binding kinase


(Homo sapiens)
BDBM149024
PNG
(US8962648, 229)
Show SMILES CC(C)NCc1ccc(cc1)-c1c(O)ccc2[nH]c(=O)c3sccc3c12
Show InChI InChI=1S/C21H20N2O2S/c1-12(2)22-11-13-3-5-14(6-4-13)18-17(24)8-7-16-19(18)15-9-10-26-20(15)21(25)23-16/h3-10,12,22,24H,11H2,1-2H3,(H,23,25)
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n/an/a 4.20n/an/an/an/a7.425



OncoTherapy Science, Inc.

US Patent


Assay Description
PBK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a s...


US Patent US8962648 (2015)


BindingDB Entry DOI: 10.7270/Q27H1H9K
More data for this
Ligand-Target Pair
PDZ-binding kinase


(Homo sapiens)
BDBM149025
PNG
(US8962648, 232)
Show SMILES COc1ccc2[nH]c(=O)c3sccc3c2c1-c1ccc(cc1)[C@H](C)N
Show InChI InChI=1S/C20H18N2O2S/c1-11(21)12-3-5-13(6-4-12)17-16(24-2)8-7-15-18(17)14-9-10-25-19(14)20(23)22-15/h3-11H,21H2,1-2H3,(H,22,23)/t11-/m0/s1
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n/an/a 7.40n/an/an/an/a7.425



OncoTherapy Science, Inc.

US Patent


Assay Description
PBK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a s...


US Patent US8962648 (2015)


BindingDB Entry DOI: 10.7270/Q27H1H9K
More data for this
Ligand-Target Pair
PDZ-binding kinase


(Homo sapiens)
BDBM149026
PNG
(US8962648, 233)
Show SMILES C[C@H](N)c1ccc(cc1)-c1c(O)ccc2[nH]c(=O)c3sccc3c12
Show InChI InChI=1S/C19H16N2O2S/c1-10(20)11-2-4-12(5-3-11)16-15(22)7-6-14-17(16)13-8-9-24-18(13)19(23)21-14/h2-10,22H,20H2,1H3,(H,21,23)/t10-/m0/s1
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n/an/a 0.810n/an/an/an/a7.425



OncoTherapy Science, Inc.

US Patent


Assay Description
PBK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a s...


US Patent US8962648 (2015)


BindingDB Entry DOI: 10.7270/Q27H1H9K
More data for this
Ligand-Target Pair
PDZ-binding kinase


(Homo sapiens)
BDBM149027
PNG
(US8962648, 235)
Show SMILES NCC1CCN(Cc2ccc(cc2F)-c2c(O)ccc3[nH]c(=O)c4sccc4c23)CC1
Show InChI InChI=1S/C24H24FN3O2S/c25-18-11-15(1-2-16(18)13-28-8-5-14(12-26)6-9-28)21-20(29)4-3-19-22(21)17-7-10-31-23(17)24(30)27-19/h1-4,7,10-11,14,29H,5-6,8-9,12-13,26H2,(H,27,30)
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n/an/a 0.570n/an/an/an/a7.425



OncoTherapy Science, Inc.

US Patent


Assay Description
PBK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a s...


US Patent US8962648 (2015)


BindingDB Entry DOI: 10.7270/Q27H1H9K
More data for this
Ligand-Target Pair
PDZ-binding kinase


(Homo sapiens)
BDBM149028
PNG
(US8962648, 254)
Show SMILES Cc1cc(ccc1NS(C)(=O)=O)-c1c(O)ccc2[nH]c(=O)c3sccc3c12
Show InChI InChI=1S/C19H16N2O4S2/c1-10-9-11(3-4-13(10)21-27(2,24)25)16-15(22)6-5-14-17(16)12-7-8-26-18(12)19(23)20-14/h3-9,21-22H,1-2H3,(H,20,23)
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n/an/a 3n/an/an/an/a7.425



OncoTherapy Science, Inc.

US Patent


Assay Description
PBK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a s...


US Patent US8962648 (2015)


BindingDB Entry DOI: 10.7270/Q27H1H9K
More data for this
Ligand-Target Pair
PDZ-binding kinase


(Homo sapiens)
BDBM149029
PNG
(US8962648, 256)
Show SMILES NCc1ccc(cc1)-c1c(O)cc(F)c2[nH]c(=O)c3sccc3c12
Show InChI InChI=1S/C18H13FN2O2S/c19-12-7-13(22)14(10-3-1-9(8-20)2-4-10)15-11-5-6-24-17(11)18(23)21-16(12)15/h1-7,22H,8,20H2,(H,21,23)
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n/an/a 2.5n/an/an/an/a7.425



OncoTherapy Science, Inc.

US Patent


Assay Description
PBK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a s...


US Patent US8962648 (2015)


BindingDB Entry DOI: 10.7270/Q27H1H9K
More data for this
Ligand-Target Pair
PDZ-binding kinase


(Homo sapiens)
BDBM149030
PNG
(US8962648, 257)
Show SMILES COc1cc(F)c2[nH]c(=O)c3sccc3c2c1-c1ccc(CN)cc1
Show InChI InChI=1S/C19H15FN2O2S/c1-24-14-8-13(20)17-16(12-6-7-25-18(12)19(23)22-17)15(14)11-4-2-10(9-21)3-5-11/h2-8H,9,21H2,1H3,(H,22,23)
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n/an/a 26n/an/an/an/a7.425



OncoTherapy Science, Inc.

US Patent


Assay Description
PBK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a s...


US Patent US8962648 (2015)


BindingDB Entry DOI: 10.7270/Q27H1H9K
More data for this
Ligand-Target Pair
PDZ-binding kinase


(Homo sapiens)
BDBM149031
PNG
(US8962648, 261)
Show SMILES Oc1ccc2[nH]c(=O)c3sccc3c2c1-c1ccc(CC#N)c(F)c1
Show InChI InChI=1S/C19H11FN2O2S/c20-13-9-11(2-1-10(13)5-7-21)16-15(23)4-3-14-17(16)12-6-8-25-18(12)19(24)22-14/h1-4,6,8-9,23H,5H2,(H,22,24)
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n/an/a 15n/an/an/an/a7.425



OncoTherapy Science, Inc.

US Patent


Assay Description
PBK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a s...


US Patent US8962648 (2015)


BindingDB Entry DOI: 10.7270/Q27H1H9K
More data for this
Ligand-Target Pair
PDZ-binding kinase


(Homo sapiens)
BDBM149032
PNG
(US8962648, 262)
Show SMILES CC(N1CCCCC1)c1ccc(cc1)-c1c(O)ccc2[nH]c(=O)c3sccc3c12
Show InChI InChI=1S/C24H24N2O2S/c1-15(26-12-3-2-4-13-26)16-5-7-17(8-6-16)21-20(27)10-9-19-22(21)18-11-14-29-23(18)24(28)25-19/h5-11,14-15,27H,2-4,12-13H2,1H3,(H,25,28)
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n/an/a 4.30n/an/an/an/a7.425



OncoTherapy Science, Inc.

US Patent


Assay Description
PBK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a s...


US Patent US8962648 (2015)


BindingDB Entry DOI: 10.7270/Q27H1H9K
More data for this
Ligand-Target Pair
PDZ-binding kinase


(Homo sapiens)
BDBM149033
PNG
(US8962648, 265)
Show SMILES COc1ccc2[nH]c(=O)c3sccc3c2c1-c1ccc(CCN)c(F)c1
Show InChI InChI=1S/C20H17FN2O2S/c1-25-16-5-4-15-18(13-7-9-26-19(13)20(24)23-15)17(16)12-3-2-11(6-8-22)14(21)10-12/h2-5,7,9-10H,6,8,22H2,1H3,(H,23,24)
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n/an/a 3.80n/an/an/an/a7.425



OncoTherapy Science, Inc.

US Patent


Assay Description
PBK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a s...


US Patent US8962648 (2015)


BindingDB Entry DOI: 10.7270/Q27H1H9K
More data for this
Ligand-Target Pair
PDZ-binding kinase


(Homo sapiens)
BDBM149034
PNG
(US8962648, 266)
Show SMILES NCc1ccc(s1)-c1c(O)ccc2[nH]c(=O)c3sccc3c12
Show InChI InChI=1S/C16H12N2O2S2/c17-7-8-1-4-12(22-8)14-11(19)3-2-10-13(14)9-5-6-21-15(9)16(20)18-10/h1-6,19H,7,17H2,(H,18,20)
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n/an/a 0.780n/an/an/an/a7.425



OncoTherapy Science, Inc.

US Patent


Assay Description
PBK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a s...


US Patent US8962648 (2015)


BindingDB Entry DOI: 10.7270/Q27H1H9K
More data for this
Ligand-Target Pair
PDZ-binding kinase


(Homo sapiens)
BDBM149035
PNG
(US8962648, 267)
Show SMILES CCNCc1ccc(cc1)-c1c(O)ccc2[nH]c(=O)c3sccc3c12
Show InChI InChI=1S/C20H18N2O2S/c1-2-21-11-12-3-5-13(6-4-12)17-16(23)8-7-15-18(17)14-9-10-25-19(14)20(24)22-15/h3-10,21,23H,2,11H2,1H3,(H,22,24)
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n/an/a 2n/an/an/an/a7.425



OncoTherapy Science, Inc.

US Patent


Assay Description
PBK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a s...


US Patent US8962648 (2015)


BindingDB Entry DOI: 10.7270/Q27H1H9K
More data for this
Ligand-Target Pair
PDZ-binding kinase


(Homo sapiens)
BDBM149036
PNG
(US8962648, 269)
Show SMILES CCNCc1ccc(cc1)-c1c(OC)ccc2[nH]c(=O)c3sccc3c12
Show InChI InChI=1S/C21H20N2O2S/c1-3-22-12-13-4-6-14(7-5-13)18-17(25-2)9-8-16-19(18)15-10-11-26-20(15)21(24)23-16/h4-11,22H,3,12H2,1-2H3,(H,23,24)
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n/an/a 6n/an/an/an/a7.425



OncoTherapy Science, Inc.

US Patent


Assay Description
PBK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a s...


US Patent US8962648 (2015)


BindingDB Entry DOI: 10.7270/Q27H1H9K
More data for this
Ligand-Target Pair
PDZ-binding kinase


(Homo sapiens)
BDBM149037
PNG
(US8962648, 270)
Show SMILES NCc1ccc(cc1)-c1c(O)cc(Br)c2[nH]c(=O)c3sccc3c12
Show InChI InChI=1S/C18H13BrN2O2S/c19-12-7-13(22)14(10-3-1-9(8-20)2-4-10)15-11-5-6-24-17(11)18(23)21-16(12)15/h1-7,22H,8,20H2,(H,21,23)
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n/an/a 31n/an/an/an/a7.425



OncoTherapy Science, Inc.

US Patent


Assay Description
PBK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a s...


US Patent US8962648 (2015)


BindingDB Entry DOI: 10.7270/Q27H1H9K
More data for this
Ligand-Target Pair
PDZ-binding kinase


(Homo sapiens)
BDBM149038
PNG
(US8962648, 272)
Show SMILES C[C@@H](N(C)C)c1ccc(cc1)-c1c(O)ccc2[nH]c(=O)c3sccc3c12
Show InChI InChI=1S/C21H20N2O2S/c1-12(23(2)3)13-4-6-14(7-5-13)18-17(24)9-8-16-19(18)15-10-11-26-20(15)21(25)22-16/h4-12,24H,1-3H3,(H,22,25)/t12-/m1/s1
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n/an/a 0.880n/an/an/an/a7.425



OncoTherapy Science, Inc.

US Patent


Assay Description
PBK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a s...


US Patent US8962648 (2015)


BindingDB Entry DOI: 10.7270/Q27H1H9K
More data for this
Ligand-Target Pair
PDZ-binding kinase


(Homo sapiens)
BDBM149039
PNG
(US8962648, 273)
Show SMILES NCCCc1ccc(cc1)-c1c(O)ccc2[nH]c(=O)c3sccc3c12
Show InChI InChI=1S/C20H18N2O2S/c21-10-1-2-12-3-5-13(6-4-12)17-16(23)8-7-15-18(17)14-9-11-25-19(14)20(24)22-15/h3-9,11,23H,1-2,10,21H2,(H,22,24)
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n/an/a 0.740n/an/an/an/a7.425



OncoTherapy Science, Inc.

US Patent


Assay Description
PBK activity was determined in the presence or absence of compounds using fluorescein isothiocyanate-labeled (FITC-labeled) histone H3 peptide as a s...


US Patent US8962648 (2015)


BindingDB Entry DOI: 10.7270/Q27H1H9K
More data for this
Ligand-Target Pair
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