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Compile Data Set for Download or QSAR

Found 64 hits from Dana-Farber Cancer Institute, Inc.   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Leucine-rich repeat serine/threonine-protein kinase 2 G2019S


(Homo sapiens (Human))
BDBM50434069
PNG
(CHEMBL2381339 | US9676792, Compound 24)
Show SMILES COc1cc(ccc1Nc1ncc2N(C)C(=O)c3cccc4CCN(c34)c2n1)C(=O)N1CCC(CC1)N1CCN(C)CC1
Show InChI InChI=1S/C32H38N8O3/c1-36-15-17-38(18-16-36)23-10-12-39(13-11-23)30(41)22-7-8-25(27(19-22)43-3)34-32-33-20-26-29(35-32)40-14-9-21-5-4-6-24(28(21)40)31(42)37(26)2/h4-8,19-20,23H,9-18H2,1-3H3,(H,33,34,35)
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n/an/a 5n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
In vitro kinase assays were conducted at Invitrogen (Madison, Wis.) using the SelectScreen Kinase Profiling Service.


US Patent US9676792 (2017)


BindingDB Entry DOI: 10.7270/Q2Z31WT7
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50365262
PNG
( (S)-JQ1 (1) | CHEMBL1957266 | JQ1 | US9320741, (S...)
Show SMILES Cc1nnc2[C@H](CC(=O)OC(C)(C)C)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H25ClN4O2S/c1-12-13(2)31-22-19(12)20(15-7-9-16(24)10-8-15)25-17(11-18(29)30-23(4,5)6)21-27-26-14(3)28(21)22/h7-10,17H,11H2,1-6H3/t17-/m0/s1
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n/an/a 44n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
Assays were performed with minor modifications from the manufacturer's protocol (PerkinElmer, USA). All reagents were diluted in 50 mM HEPES, 150 mM ...


US Patent US9695172 (2017)


BindingDB Entry DOI: 10.7270/Q2JD4TX8
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM36486
PNG
(9-Cyclopentyl-2-(2-ethoxy-4-(4-hydroxypiperidin-1-...)
Show SMILES CCOc1cc(ccc1Nc1ncc2N(C)C(=O)CCN(C3CCCC3)c2n1)N1CCC(O)CC1
Show InChI InChI=1S/C26H36N6O3/c1-3-35-23-16-19(31-13-10-20(33)11-14-31)8-9-21(23)28-26-27-17-22-25(29-26)32(18-6-4-5-7-18)15-12-24(34)30(22)2/h8-9,16-18,20,33H,3-7,10-15H2,1-2H3,(H,27,28,29)
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n/an/a 145n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
Kinase reactions were carried out at room temperature with the following components: 1 kinase reaction buffer, 5 μg/mL (40 nM) Mps1 kinase, 200...


US Patent US9266890 (2016)


BindingDB Entry DOI: 10.7270/Q27M06RB
More data for this
Ligand-Target Pair
Bromodomain testis-specific protein


(Homo sapiens)
BDBM50365262
PNG
( (S)-JQ1 (1) | CHEMBL1957266 | JQ1 | US9320741, (S...)
Show SMILES Cc1nnc2[C@H](CC(=O)OC(C)(C)C)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H25ClN4O2S/c1-12-13(2)31-22-19(12)20(15-7-9-16(24)10-8-15)25-17(11-18(29)30-23(4,5)6)21-27-26-14(3)28(21)22/h7-10,17H,11H2,1-6H3/t17-/m0/s1
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n/an/a 147n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
Assays were performed with minor modifications from the manufacturer's protocol (PerkinElmer, USA). All reagents were diluted in 50 mM HEPES, 150 mM ...


US Patent US9695172 (2017)


BindingDB Entry DOI: 10.7270/Q2JD4TX8
More data for this
Ligand-Target Pair
Extracellular signal-regulated kinase 5 (ERK5)


(Homo sapiens (Human))
BDBM199090
PNG
(US9676792, Compound 26 | XMD17-109)
Show SMILES COc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(C3CCCC3)c2n1)C(=O)N1CCC(CC1)N1CCN(C)CC1
Show InChI InChI=1S/C35H44N8O3/c1-39-18-20-41(21-19-39)25-14-16-42(17-15-25)33(44)24-12-13-28(31(22-24)46-3)37-35-36-23-30-32(38-35)43(26-8-4-5-9-26)29-11-7-6-10-27(29)34(45)40(30)2/h6-7,10-13,22-23,25-26H,4-5,8-9,14-21H2,1-3H3,(H,36,37,38)
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n/an/a 162n/a 90n/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
Kinase activity was determined in an assay volume of 40 μl in kinase buffer (50 mM Tris-HCl, pH 7.5, 0.1 mM EGTA, 1 mM 2-mercaptoethanol) contai...


US Patent US9676792 (2017)


BindingDB Entry DOI: 10.7270/Q2Z31WT7
More data for this
Ligand-Target Pair
Extracellular signal-regulated kinase 5 (ERK5)


(Homo sapiens (Human))
BDBM50434069
PNG
(CHEMBL2381339 | US9676792, Compound 24)
Show SMILES COc1cc(ccc1Nc1ncc2N(C)C(=O)c3cccc4CCN(c34)c2n1)C(=O)N1CCC(CC1)N1CCN(C)CC1
Show InChI InChI=1S/C32H38N8O3/c1-36-15-17-38(18-16-36)23-10-12-39(13-11-23)30(41)22-7-8-25(27(19-22)43-3)34-32-33-20-26-29(35-32)40-14-9-21-5-4-6-24(28(21)40)31(42)37(26)2/h4-8,19-20,23H,9-18H2,1-3H3,(H,33,34,35)
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n/an/a 199n/a 260n/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
Kinase activity was determined in an assay volume of 40 μl in kinase buffer (50 mM Tris-HCl, pH 7.5, 0.1 mM EGTA, 1 mM 2-mercaptoethanol) contai...


US Patent US9676792 (2017)


BindingDB Entry DOI: 10.7270/Q2Z31WT7
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM209400
PNG
(US9266890, I-9)
Show SMILES COc1cc(ccc1Nc1ncc2N(C)C(=O)CCN(C3CCCC3)c2n1)N1CCC(C)(O)CC1
Show InChI InChI=1S/C26H36N6O3/c1-26(34)11-14-31(15-12-26)19-8-9-20(22(16-19)35-3)28-25-27-17-21-24(29-25)32(18-6-4-5-7-18)13-10-23(33)30(21)2/h8-9,16-18,34H,4-7,10-15H2,1-3H3,(H,27,28,29)
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n/an/a 254n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
Kinase reactions were carried out at room temperature with the following components: 1 kinase reaction buffer, 5 μg/mL (40 nM) Mps1 kinase, 200...


US Patent US9266890 (2016)


BindingDB Entry DOI: 10.7270/Q27M06RB
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 G2019S


(Homo sapiens (Human))
BDBM199090
PNG
(US9676792, Compound 26 | XMD17-109)
Show SMILES COc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(C3CCCC3)c2n1)C(=O)N1CCC(CC1)N1CCN(C)CC1
Show InChI InChI=1S/C35H44N8O3/c1-39-18-20-41(21-19-39)25-14-16-42(17-15-25)33(44)24-12-13-28(31(22-24)46-3)37-35-36-23-30-32(38-35)43(26-8-4-5-9-26)29-11-7-6-10-27(29)34(45)40(30)2/h6-7,10-13,22-23,25-26H,4-5,8-9,14-21H2,1-3H3,(H,36,37,38)
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n/an/a 339n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
In vitro kinase assays were conducted at Invitrogen (Madison, Wis.) using the SelectScreen Kinase Profiling Service.


US Patent US9676792 (2017)


BindingDB Entry DOI: 10.7270/Q2Z31WT7
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM209397
PNG
(US9266890, I-6)
Show SMILES COc1cc(ccc1Nc1ncc2N(C)C(=O)CCN(C3CCCC3)c2n1)N1CCC(O)CC1
Show InChI InChI=1S/C25H34N6O3/c1-29-21-16-26-25(28-24(21)31(14-11-23(29)33)17-5-3-4-6-17)27-20-8-7-18(15-22(20)34-2)30-12-9-19(32)10-13-30/h7-8,15-17,19,32H,3-6,9-14H2,1-2H3,(H,26,27,28)
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n/an/a 342n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
Kinase reactions were carried out at room temperature with the following components: 1 kinase reaction buffer, 5 μg/mL (40 nM) Mps1 kinase, 200...


US Patent US9266890 (2016)


BindingDB Entry DOI: 10.7270/Q27M06RB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM209401
PNG
(US9266890, I-11)
Show SMILES CC(C)Oc1cc(ccc1Nc1ncc2N(C)C(=O)CCN(C3CCCC3)c2n1)N1CCC(O)CC1
Show InChI InChI=1S/C27H38N6O3/c1-18(2)36-24-16-20(32-13-10-21(34)11-14-32)8-9-22(24)29-27-28-17-23-26(30-27)33(19-6-4-5-7-19)15-12-25(35)31(23)3/h8-9,16-19,21,34H,4-7,10-15H2,1-3H3,(H,28,29,30)
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n/an/a 605n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
Kinase reactions were carried out at room temperature with the following components: 1 kinase reaction buffer, 5 μg/mL (40 nM) Mps1 kinase, 200...


US Patent US9266890 (2016)


BindingDB Entry DOI: 10.7270/Q27M06RB
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM209393
PNG
(US9266890, I-1)
Show SMILES CN1c2cnc(Nc3ccc(cn3)N3CCC(O)CC3)nc2N(CCC1=O)C1CCCC1
Show InChI InChI=1S/C23H31N7O2/c1-28-19-15-25-23(27-22(19)30(13-10-21(28)32)16-4-2-3-5-16)26-20-7-6-17(14-24-20)29-11-8-18(31)9-12-29/h6-7,14-16,18,31H,2-5,8-13H2,1H3,(H,24,25,26,27)
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n/an/a 891n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
Kinase reactions were carried out at room temperature with the following components: 1 kinase reaction buffer, 5 μg/mL (40 nM) Mps1 kinase, 200...


US Patent US9266890 (2016)


BindingDB Entry DOI: 10.7270/Q27M06RB
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM209403
PNG
(US9266890, I-13)
Show SMILES CCOc1cc(ccc1Nc1ncc2N(CC)C(=O)CCN(C3CCCC3)c2n1)N1CCC(O)CC1
Show InChI InChI=1S/C27H38N6O3/c1-3-32-23-18-28-27(30-26(23)33(16-13-25(32)35)19-7-5-6-8-19)29-22-10-9-20(17-24(22)36-4-2)31-14-11-21(34)12-15-31/h9-10,17-19,21,34H,3-8,11-16H2,1-2H3,(H,28,29,30)
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n/an/a 1.01E+3n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
Kinase reactions were carried out at room temperature with the following components: 1 kinase reaction buffer, 5 μg/mL (40 nM) Mps1 kinase, 200...


US Patent US9266890 (2016)


BindingDB Entry DOI: 10.7270/Q27M06RB
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM209404
PNG
(US9266890, I-14)
Show SMILES CCN1c2cnc(Nc3ccc(cc3OC(C)C)N3CCC(O)CC3)nc2N(CCC1=O)C1CCCC1
Show InChI InChI=1S/C28H40N6O3/c1-4-33-24-18-29-28(31-27(24)34(16-13-26(33)36)20-7-5-6-8-20)30-23-10-9-21(17-25(23)37-19(2)3)32-14-11-22(35)12-15-32/h9-10,17-20,22,35H,4-8,11-16H2,1-3H3,(H,29,30,31)
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n/an/a 1.09E+3n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
Kinase reactions were carried out at room temperature with the following components: 1 kinase reaction buffer, 5 μg/mL (40 nM) Mps1 kinase, 200...


US Patent US9266890 (2016)


BindingDB Entry DOI: 10.7270/Q27M06RB
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM106150
PNG
(US9695172, 3)
Show SMILES COc1cc(ccc1Nc1ccc2N(C)C(=O)c3ccccc3N(C)c2n1)C(=O)N1CCC(CC1)N1CCN(C)CC1
Show InChI InChI=1S/C32H39N7O3/c1-35-17-19-38(20-18-35)23-13-15-39(16-14-23)31(40)22-9-10-25(28(21-22)42-4)33-29-12-11-27-30(34-29)36(2)26-8-6-5-7-24(26)32(41)37(27)3/h5-12,21,23H,13-20H2,1-4H3,(H,33,34)
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n/an/a 1.37E+3n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
Assays were performed with minor modifications from the manufacturer's protocol (PerkinElmer, USA). All reagents were diluted in 50 mM HEPES, 150 mM ...


US Patent US9695172 (2017)


BindingDB Entry DOI: 10.7270/Q2JD4TX8
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM106153
PNG
(US9695172, 2-227)
Show SMILES COc1cc(ccc1Nc1ccc2N(C)C(=O)c3ccccc3N(C)c2n1)C(=O)NC1CCN(C)CC1
Show InChI InChI=1S/C28H32N6O3/c1-32-15-13-19(14-16-32)29-27(35)18-9-10-21(24(17-18)37-4)30-25-12-11-23-26(31-25)33(2)22-8-6-5-7-20(22)28(36)34(23)3/h5-12,17,19H,13-16H2,1-4H3,(H,29,35)(H,30,31)
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n/an/a 2.14E+3n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
Assays were performed with minor modifications from the manufacturer's protocol (PerkinElmer, USA). All reagents were diluted in 50 mM HEPES, 150 mM ...


US Patent US9695172 (2017)


BindingDB Entry DOI: 10.7270/Q2JD4TX8
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM106152
PNG
(US9695172, 2-221)
Show SMILES CN1c2ccccc2C(=O)N(C)c2ccc(Nc3ccc(cc3)S(N)(=O)=O)nc12
Show InChI InChI=1S/C20H19N5O3S/c1-24-16-6-4-3-5-15(16)20(26)25(2)17-11-12-18(23-19(17)24)22-13-7-9-14(10-8-13)29(21,27)28/h3-12H,1-2H3,(H,22,23)(H2,21,27,28)
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n/an/a 2.99E+3n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
Assays were performed with minor modifications from the manufacturer's protocol (PerkinElmer, USA). All reagents were diluted in 50 mM HEPES, 150 mM ...


US Patent US9695172 (2017)


BindingDB Entry DOI: 10.7270/Q2JD4TX8
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM209405
PNG
(US9266890, I-15)
Show SMILES CCN1c2cnc(Nc3ccc(cn3)N3CCC(O)CC3)nc2N(CCC1=O)C1CCCC1
Show InChI InChI=1S/C24H33N7O2/c1-2-30-20-16-26-24(28-23(20)31(14-11-22(30)33)17-5-3-4-6-17)27-21-8-7-18(15-25-21)29-12-9-19(32)10-13-29/h7-8,15-17,19,32H,2-6,9-14H2,1H3,(H,25,26,27,28)
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n/an/a 3.45E+3n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
Kinase reactions were carried out at room temperature with the following components: 1 kinase reaction buffer, 5 μg/mL (40 nM) Mps1 kinase, 200...


US Patent US9266890 (2016)


BindingDB Entry DOI: 10.7270/Q27M06RB
More data for this
Ligand-Target Pair
Bromodomain testis-specific protein


(Homo sapiens)
BDBM106150
PNG
(US9695172, 3)
Show SMILES COc1cc(ccc1Nc1ccc2N(C)C(=O)c3ccccc3N(C)c2n1)C(=O)N1CCC(CC1)N1CCN(C)CC1
Show InChI InChI=1S/C32H39N7O3/c1-35-17-19-38(20-18-35)23-13-15-39(16-14-23)31(40)22-9-10-25(28(21-22)42-4)33-29-12-11-27-30(34-29)36(2)26-8-6-5-7-24(26)32(41)37(27)3/h5-12,21,23H,13-20H2,1-4H3,(H,33,34)
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n/an/a 3.68E+3n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
Assays were performed with minor modifications from the manufacturer's protocol (PerkinElmer, USA). All reagents were diluted in 50 mM HEPES, 150 mM ...


US Patent US9695172 (2017)


BindingDB Entry DOI: 10.7270/Q2JD4TX8
More data for this
Ligand-Target Pair
Bromodomain testis-specific protein


(Homo sapiens)
BDBM106153
PNG
(US9695172, 2-227)
Show SMILES COc1cc(ccc1Nc1ccc2N(C)C(=O)c3ccccc3N(C)c2n1)C(=O)NC1CCN(C)CC1
Show InChI InChI=1S/C28H32N6O3/c1-32-15-13-19(14-16-32)29-27(35)18-9-10-21(24(17-18)37-4)30-25-12-11-23-26(31-25)33(2)22-8-6-5-7-20(22)28(36)34(23)3/h5-12,17,19H,13-16H2,1-4H3,(H,29,35)(H,30,31)
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n/an/a 5.41E+3n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
Assays were performed with minor modifications from the manufacturer's protocol (PerkinElmer, USA). All reagents were diluted in 50 mM HEPES, 150 mM ...


US Patent US9695172 (2017)


BindingDB Entry DOI: 10.7270/Q2JD4TX8
More data for this
Ligand-Target Pair
Bromodomain testis-specific protein


(Homo sapiens)
BDBM106152
PNG
(US9695172, 2-221)
Show SMILES CN1c2ccccc2C(=O)N(C)c2ccc(Nc3ccc(cc3)S(N)(=O)=O)nc12
Show InChI InChI=1S/C20H19N5O3S/c1-24-16-6-4-3-5-15(16)20(26)25(2)17-11-12-18(23-19(17)24)22-13-7-9-14(10-8-13)29(21,27)28/h3-12H,1-2H3,(H,22,23)(H2,21,27,28)
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n/an/a 5.66E+3n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
Assays were performed with minor modifications from the manufacturer's protocol (PerkinElmer, USA). All reagents were diluted in 50 mM HEPES, 150 mM ...


US Patent US9695172 (2017)


BindingDB Entry DOI: 10.7270/Q2JD4TX8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora-C


(Homo sapiens (human))
BDBM106152
PNG
(US9695172, 2-221)
Show SMILES CN1c2ccccc2C(=O)N(C)c2ccc(Nc3ccc(cc3)S(N)(=O)=O)nc12
Show InChI InChI=1S/C20H19N5O3S/c1-24-16-6-4-3-5-15(16)20(26)25(2)17-11-12-18(23-19(17)24)22-13-7-9-14(10-8-13)29(21,27)28/h3-12H,1-2H3,(H,22,23)(H2,21,27,28)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
Assays were performed with minor modifications from the manufacturer's protocol (PerkinElmer, USA). All reagents were diluted in 50 mM HEPES, 150 mM ...


US Patent US9695172 (2017)


BindingDB Entry DOI: 10.7270/Q2JD4TX8
More data for this
Ligand-Target Pair
Aurora kinase B/Inner centromere protein


(Homo sapiens (Human))
BDBM106152
PNG
(US9695172, 2-221)
Show SMILES CN1c2ccccc2C(=O)N(C)c2ccc(Nc3ccc(cc3)S(N)(=O)=O)nc12
Show InChI InChI=1S/C20H19N5O3S/c1-24-16-6-4-3-5-15(16)20(26)25(2)17-11-12-18(23-19(17)24)22-13-7-9-14(10-8-13)29(21,27)28/h3-12H,1-2H3,(H,22,23)(H2,21,27,28)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
Assays were performed with minor modifications from the manufacturer's protocol (PerkinElmer, USA). All reagents were diluted in 50 mM HEPES, 150 mM ...


US Patent US9695172 (2017)


BindingDB Entry DOI: 10.7270/Q2JD4TX8
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM106153
PNG
(US9695172, 2-227)
Show SMILES COc1cc(ccc1Nc1ccc2N(C)C(=O)c3ccccc3N(C)c2n1)C(=O)NC1CCN(C)CC1
Show InChI InChI=1S/C28H32N6O3/c1-32-15-13-19(14-16-32)29-27(35)18-9-10-21(24(17-18)37-4)30-25-12-11-23-26(31-25)33(2)22-8-6-5-7-20(22)28(36)34(23)3/h5-12,17,19H,13-16H2,1-4H3,(H,29,35)(H,30,31)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
Assays were performed with minor modifications from the manufacturer's protocol (PerkinElmer, USA). All reagents were diluted in 50 mM HEPES, 150 mM ...


US Patent US9695172 (2017)


BindingDB Entry DOI: 10.7270/Q2JD4TX8
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM106150
PNG
(US9695172, 3)
Show SMILES COc1cc(ccc1Nc1ccc2N(C)C(=O)c3ccccc3N(C)c2n1)C(=O)N1CCC(CC1)N1CCN(C)CC1
Show InChI InChI=1S/C32H39N7O3/c1-35-17-19-38(20-18-35)23-13-15-39(16-14-23)31(40)22-9-10-25(28(21-22)42-4)33-29-12-11-27-30(34-29)36(2)26-8-6-5-7-24(26)32(41)37(27)3/h5-12,21,23H,13-20H2,1-4H3,(H,33,34)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
Assays were performed with minor modifications from the manufacturer's protocol (PerkinElmer, USA). All reagents were diluted in 50 mM HEPES, 150 mM ...


US Patent US9695172 (2017)


BindingDB Entry DOI: 10.7270/Q2JD4TX8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora


(Homo sapiens (human))
BDBM106152
PNG
(US9695172, 2-221)
Show SMILES CN1c2ccccc2C(=O)N(C)c2ccc(Nc3ccc(cc3)S(N)(=O)=O)nc12
Show InChI InChI=1S/C20H19N5O3S/c1-24-16-6-4-3-5-15(16)20(26)25(2)17-11-12-18(23-19(17)24)22-13-7-9-14(10-8-13)29(21,27)28/h3-12H,1-2H3,(H,22,23)(H2,21,27,28)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
Assays were performed with minor modifications from the manufacturer's protocol (PerkinElmer, USA). All reagents were diluted in 50 mM HEPES, 150 mM ...


US Patent US9695172 (2017)


BindingDB Entry DOI: 10.7270/Q2JD4TX8
More data for this
Ligand-Target Pair
Bromodomain testis-specific protein


(Homo sapiens)
BDBM50355500
PNG
(CHEMBL1908394 | US9695172, GSK461364)
Show SMILES C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(CN3CCN(C)CC3)cc12)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C27H28F3N5O2S/c1-17(19-5-3-4-6-20(19)27(28,29)30)37-23-14-24(38-25(23)26(31)36)35-16-32-21-8-7-18(13-22(21)35)15-34-11-9-33(2)10-12-34/h3-8,13-14,16-17H,9-12,15H2,1-2H3,(H2,31,36)/t17-/m1/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
Assays were performed with minor modifications from the manufacturer's protocol (PerkinElmer, USA). All reagents were diluted in 50 mM HEPES, 150 mM ...


US Patent US9695172 (2017)


BindingDB Entry DOI: 10.7270/Q2JD4TX8
More data for this
Ligand-Target Pair
Bromodomain-containing protein 4


(Homo sapiens (Human))
BDBM50355500
PNG
(CHEMBL1908394 | US9695172, GSK461364)
Show SMILES C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(CN3CCN(C)CC3)cc12)c1ccccc1C(F)(F)F
Show InChI InChI=1S/C27H28F3N5O2S/c1-17(19-5-3-4-6-20(19)27(28,29)30)37-23-14-24(38-25(23)26(31)36)35-16-32-21-8-7-18(13-22(21)35)15-34-11-9-33(2)10-12-34/h3-8,13-14,16-17H,9-12,15H2,1-2H3,(H2,31,36)/t17-/m1/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
Assays were performed with minor modifications from the manufacturer's protocol (PerkinElmer, USA). All reagents were diluted in 50 mM HEPES, 150 mM ...


US Patent US9695172 (2017)


BindingDB Entry DOI: 10.7270/Q2JD4TX8
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM209402
PNG
(US9266890, I-12)
Show SMILES COc1cc(ccc1Nc1ncc2N(C)C(=O)CCN(C3CCCC3)c2n1)N1CCN(CCO)CC1
Show InChI InChI=1S/C26H37N7O3/c1-30-22-18-27-26(29-25(22)33(10-9-24(30)35)19-5-3-4-6-19)28-21-8-7-20(17-23(21)36-2)32-13-11-31(12-14-32)15-16-34/h7-8,17-19,34H,3-6,9-16H2,1-2H3,(H,27,28,29)
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n/an/an/a 8n/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
In vitro Plk1 binding assay: Ambit Kd values in nanomolar. Kd values generated by Ambit binding assay over a concentration range of the compound.


US Patent US9266890 (2016)


BindingDB Entry DOI: 10.7270/Q27M06RB
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM209414
PNG
(US9266890, I-24)
Show SMILES CN1c2cnc(Nc3ccc(cc3)C(N)=O)nc2N(C2CCCC2)[C@@H]2CCC[C@@H]2C1=O
Show InChI InChI=1S/C23H28N6O2/c1-28-19-13-25-23(26-15-11-9-14(10-12-15)20(24)30)27-21(19)29(16-5-2-3-6-16)18-8-4-7-17(18)22(28)31/h9-13,16-18H,2-8H2,1H3,(H2,24,30)(H,25,26,27)/t17-,18+/m0/s1
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n/an/an/a 18n/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
In vitro Plk1 binding assay: Ambit Kd values in nanomolar. Kd values generated by Ambit binding assay over a concentration range of the compound.


US Patent US9266890 (2016)


BindingDB Entry DOI: 10.7270/Q27M06RB
More data for this
Ligand-Target Pair
Extracellular signal-regulated kinase 5 (ERK5)


(Homo sapiens (Human))
BDBM209410
PNG
(US9266890, I-20)
Show SMILES CN1c2cnc(Nc3ccc4ncccc4c3)nc2N(C2CCCC2)[C@@H]2CCC[C@@H]2C1=O
Show InChI InChI=1S/C25H28N6O/c1-30-22-15-27-25(28-17-11-12-20-16(14-17)6-5-13-26-20)29-23(22)31(18-7-2-3-8-18)21-10-4-9-19(21)24(30)32/h5-6,11-15,18-19,21H,2-4,7-10H2,1H3,(H,27,28,29)/t19-,21+/m0/s1
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n/an/an/a 550n/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
In vitro Erk5 binding assay: Ambit Kd values in nanomolar. Kd values generated by Ambit binding assay over a concentration range of the compound.


US Patent US9266890 (2016)


BindingDB Entry DOI: 10.7270/Q27M06RB
More data for this
Ligand-Target Pair
Extracellular signal-regulated kinase 5 (ERK5)


(Homo sapiens (Human))
BDBM209414
PNG
(US9266890, I-24)
Show SMILES CN1c2cnc(Nc3ccc(cc3)C(N)=O)nc2N(C2CCCC2)[C@@H]2CCC[C@@H]2C1=O
Show InChI InChI=1S/C23H28N6O2/c1-28-19-13-25-23(26-15-11-9-14(10-12-15)20(24)30)27-21(19)29(16-5-2-3-6-16)18-8-4-7-17(18)22(28)31/h9-13,16-18H,2-8H2,1H3,(H2,24,30)(H,25,26,27)/t17-,18+/m0/s1
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n/an/an/a 320n/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
In vitro Erk5 binding assay: Ambit Kd values in nanomolar. Kd values generated by Ambit binding assay over a concentration range of the compound.


US Patent US9266890 (2016)


BindingDB Entry DOI: 10.7270/Q27M06RB
More data for this
Ligand-Target Pair
Extracellular signal-regulated kinase 5 (ERK5)


(Homo sapiens (Human))
BDBM50337126
PNG
(2-(2-methoxy-4-(4-methylpiperazin-1-yl)phenylamino...)
Show SMILES COc1cc(ccc1Nc1ncc2NC(=O)c3ccccc3N(C)c2n1)N1CCN(C)CC1
Show InChI InChI=1S/C24H27N7O2/c1-29-10-12-31(13-11-29)16-8-9-18(21(14-16)33-3)27-24-25-15-19-22(28-24)30(2)20-7-5-4-6-17(20)23(32)26-19/h4-9,14-15H,10-13H2,1-3H3,(H,26,32)(H,25,27,28)
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n/an/an/a 670n/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
In vitro Erk5 binding assay: Ambit Kd values in nanomolar. Kd values generated by Ambit binding assay over a concentration range of the compound.


US Patent US9266890 (2016)


BindingDB Entry DOI: 10.7270/Q27M06RB
More data for this
Ligand-Target Pair
Extracellular signal-regulated kinase 5 (ERK5)


(Homo sapiens (Human))
BDBM50337127
PNG
(2-(2-methoxy-4-(4-methylpiperazin-1-yl)phenylamino...)
Show SMILES COc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(C)c2n1)N1CCN(C)CC1
Show InChI InChI=1S/C25H29N7O2/c1-29-11-13-32(14-12-29)17-9-10-19(22(15-17)34-4)27-25-26-16-21-23(28-25)30(2)20-8-6-5-7-18(20)24(33)31(21)3/h5-10,15-16H,11-14H2,1-4H3,(H,26,27,28)
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n/an/an/a 19n/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
In vitro Erk5 binding assay: Ambit Kd values in nanomolar. Kd values generated by Ambit binding assay over a concentration range of the compound.


US Patent US9266890 (2016)


BindingDB Entry DOI: 10.7270/Q27M06RB
More data for this
Ligand-Target Pair
Extracellular signal-regulated kinase 5 (ERK5)


(Homo sapiens (Human))
BDBM50337128
PNG
(2-((4-(4-hydroxypiperidin-1-yl)-2-methoxyphenyl)am...)
Show SMILES COc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(C)c2n1)N1CCC(O)CC1
Show InChI InChI=1S/C25H28N6O3/c1-29-20-7-5-4-6-18(20)24(33)30(2)21-15-26-25(28-23(21)29)27-19-9-8-16(14-22(19)34-3)31-12-10-17(32)11-13-31/h4-9,14-15,17,32H,10-13H2,1-3H3,(H,26,27,28)
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n/an/an/a 57n/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
In vitro Erk5 binding assay: Ambit Kd values in nanomolar. Kd values generated by Ambit binding assay over a concentration range of the compound.


US Patent US9266890 (2016)


BindingDB Entry DOI: 10.7270/Q27M06RB
More data for this
Ligand-Target Pair
Extracellular signal-regulated kinase 5 (ERK5)


(Homo sapiens (Human))
BDBM50337134
PNG
(2-((2-ethoxy-4-(4-hydroxypiperidin-1-yl)phenyl)ami...)
Show SMILES CCOc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(C)c2n1)N1CCC(O)CC1
Show InChI InChI=1S/C26H30N6O3/c1-4-35-23-15-17(32-13-11-18(33)12-14-32)9-10-20(23)28-26-27-16-22-24(29-26)30(2)21-8-6-5-7-19(21)25(34)31(22)3/h5-10,15-16,18,33H,4,11-14H2,1-3H3,(H,27,28,29)
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n/an/an/a 80n/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
In vitro Erk5 binding assay: Ambit Kd values in nanomolar. Kd values generated by Ambit binding assay over a concentration range of the compound.


US Patent US9266890 (2016)


BindingDB Entry DOI: 10.7270/Q27M06RB
More data for this
Ligand-Target Pair
Extracellular signal-regulated kinase 5 (ERK5)


(Homo sapiens (Human))
BDBM209448
PNG
(US9266890, IV-8)
Show SMILES CCN1c2cnc(Nc3ccc(cn3)N3CCC(O)CC3)nc2N(C)c2ccccc2C1=O
Show InChI InChI=1S/C24H27N7O2/c1-3-31-20-15-26-24(28-22(20)29(2)19-7-5-4-6-18(19)23(31)33)27-21-9-8-16(14-25-21)30-12-10-17(32)11-13-30/h4-9,14-15,17,32H,3,10-13H2,1-2H3,(H,25,26,27,28)
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n/an/an/a 50n/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
In vitro Erk5 binding assay: Ambit Kd values in nanomolar. Kd values generated by Ambit binding assay over a concentration range of the compound.


US Patent US9266890 (2016)


BindingDB Entry DOI: 10.7270/Q27M06RB
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM209401
PNG
(US9266890, I-11)
Show SMILES CC(C)Oc1cc(ccc1Nc1ncc2N(C)C(=O)CCN(C3CCCC3)c2n1)N1CCC(O)CC1
Show InChI InChI=1S/C27H38N6O3/c1-18(2)36-24-16-20(32-13-10-21(34)11-14-32)8-9-22(24)29-27-28-17-23-26(30-27)33(19-6-4-5-7-19)15-12-25(35)31(23)3/h8-9,16-19,21,34H,4-7,10-15H2,1-3H3,(H,28,29,30)
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n/an/an/a 200n/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
In vitro Plk1 binding assay: Ambit Kd values in nanomolar. Kd values generated by Ambit binding assay over a concentration range of the compound.


US Patent US9266890 (2016)


BindingDB Entry DOI: 10.7270/Q27M06RB
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM36486
PNG
(9-Cyclopentyl-2-(2-ethoxy-4-(4-hydroxypiperidin-1-...)
Show SMILES CCOc1cc(ccc1Nc1ncc2N(C)C(=O)CCN(C3CCCC3)c2n1)N1CCC(O)CC1
Show InChI InChI=1S/C26H36N6O3/c1-3-35-23-16-19(31-13-10-20(33)11-14-31)8-9-21(23)28-26-27-17-22-25(29-26)32(18-6-4-5-7-18)15-12-24(34)30(22)2/h8-9,16-18,20,33H,3-7,10-15H2,1-2H3,(H,27,28,29)
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n/an/an/a 47n/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
In vitro Plk1 binding assay: Ambit Kd values in nanomolar. Kd values generated by Ambit binding assay over a concentration range of the compound.


US Patent US9266890 (2016)


BindingDB Entry DOI: 10.7270/Q27M06RB
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM209399
PNG
(US9266890, I-8)
Show SMILES COc1cc(ccc1Nc1ncc2N(C)C(=O)CCN(C3CCCC3)c2n1)N(C)CCCO
Show InChI InChI=1S/C24H34N6O3/c1-28(12-6-14-31)18-9-10-19(21(15-18)33-3)26-24-25-16-20-23(27-24)30(17-7-4-5-8-17)13-11-22(32)29(20)2/h9-10,15-17,31H,4-8,11-14H2,1-3H3,(H,25,26,27)
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n/an/an/a 35n/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
In vitro Plk1 binding assay: Ambit Kd values in nanomolar. Kd values generated by Ambit binding assay over a concentration range of the compound.


US Patent US9266890 (2016)


BindingDB Entry DOI: 10.7270/Q27M06RB
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM209398
PNG
(US9266890, I-7)
Show SMILES COc1cc(ccc1Nc1ncc2N(C)C(=O)CCN(C3CCCC3)c2n1)N(C)CCO
Show InChI InChI=1S/C23H32N6O3/c1-27(12-13-30)17-8-9-18(20(14-17)32-3)25-23-24-15-19-22(26-23)29(16-6-4-5-7-16)11-10-21(31)28(19)2/h8-9,14-16,30H,4-7,10-13H2,1-3H3,(H,24,25,26)
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n/an/an/a 36n/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
In vitro Plk1 binding assay: Ambit Kd values in nanomolar. Kd values generated by Ambit binding assay over a concentration range of the compound.


US Patent US9266890 (2016)


BindingDB Entry DOI: 10.7270/Q27M06RB
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM209397
PNG
(US9266890, I-6)
Show SMILES COc1cc(ccc1Nc1ncc2N(C)C(=O)CCN(C3CCCC3)c2n1)N1CCC(O)CC1
Show InChI InChI=1S/C25H34N6O3/c1-29-21-16-26-25(28-24(21)31(14-11-23(29)33)17-5-3-4-6-17)27-20-8-7-18(15-22(20)34-2)30-12-9-19(32)10-13-30/h7-8,15-17,19,32H,3-6,9-14H2,1-2H3,(H,26,27,28)
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n/an/an/a 19n/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
In vitro Plk1 binding assay: Ambit Kd values in nanomolar. Kd values generated by Ambit binding assay over a concentration range of the compound.


US Patent US9266890 (2016)


BindingDB Entry DOI: 10.7270/Q27M06RB
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM50435736
PNG
(CHEMBL2392552 | US9266890, I-3)
Show SMILES COc1cc(ccc1Nc1ncc2N(C)C(=O)CCN(C3CCCC3)c2n1)C(=O)NC1CCN(C)CC1
Show InChI InChI=1S/C27H37N7O3/c1-32-13-10-19(11-14-32)29-26(36)18-8-9-21(23(16-18)37-3)30-27-28-17-22-25(31-27)34(20-6-4-5-7-20)15-12-24(35)33(22)2/h8-9,16-17,19-20H,4-7,10-15H2,1-3H3,(H,29,36)(H,28,30,31)
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US Patent
n/an/an/a 0.570n/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
In vitro Plk1 binding assay: Ambit Kd values in nanomolar. Kd values generated by Ambit binding assay over a concentration range of the compound.


US Patent US9266890 (2016)


BindingDB Entry DOI: 10.7270/Q27M06RB
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (human))
BDBM209393
PNG
(US9266890, I-1)
Show SMILES CN1c2cnc(Nc3ccc(cn3)N3CCC(O)CC3)nc2N(CCC1=O)C1CCCC1
Show InChI InChI=1S/C23H31N7O2/c1-28-19-15-25-23(27-22(19)30(13-10-21(28)32)16-4-2-3-5-16)26-20-7-6-17(14-24-20)29-11-8-18(31)9-12-29/h6-7,14-16,18,31H,2-5,8-13H2,1H3,(H,24,25,26,27)
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n/an/an/a 49n/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
In vitro Plk1 binding assay: Ambit Kd values in nanomolar. Kd values generated by Ambit binding assay over a concentration range of the compound.


US Patent US9266890 (2016)


BindingDB Entry DOI: 10.7270/Q27M06RB
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM124970
PNG
(US8765747, 2)
Show SMILES CCN1CCN(Cc2ccc(NC(=O)c3cccc(c3)-c3ccc4nc(NC(=O)C5CC5)sc4n3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C29H25F3N8OS/c1-17-34-24(16-25(35-17)40-12-10-33-11-13-40)39-28-38-23-9-8-22(37-27(23)42-28)18-4-2-5-19(14-18)26(41)36-21-7-3-6-20(15-21)29(30,31)32/h2-9,14-16,33H,10-13H2,1H3,(H,36,41)(H,34,35,38,39)
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n/an/an/a 58n/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
KINOMEscan (Ambit Biosciences, San Diego, Calif.), a high-throughput method for screening small molecular agents against a large panel of human kinas...


US Patent US8765747 (2014)


BindingDB Entry DOI: 10.7270/Q2VX0F6R
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))
BDBM124970
PNG
(US8765747, 2)
Show SMILES CCN1CCN(Cc2ccc(NC(=O)c3cccc(c3)-c3ccc4nc(NC(=O)C5CC5)sc4n3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C29H25F3N8OS/c1-17-34-24(16-25(35-17)40-12-10-33-11-13-40)39-28-38-23-9-8-22(37-27(23)42-28)18-4-2-5-19(14-18)26(41)36-21-7-3-6-20(15-21)29(30,31)32/h2-9,14-16,33H,10-13H2,1H3,(H,36,41)(H,34,35,38,39)
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n/an/an/a 57n/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
KINOMEscan (Ambit Biosciences, San Diego, Calif.), a high-throughput method for screening small molecular agents against a large panel of human kinas...


US Patent US8765747 (2014)


BindingDB Entry DOI: 10.7270/Q2VX0F6R
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Re


(Homo sapiens (Human))
BDBM124970
PNG
(US8765747, 2)
Show SMILES CCN1CCN(Cc2ccc(NC(=O)c3cccc(c3)-c3ccc4nc(NC(=O)C5CC5)sc4n3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C29H25F3N8OS/c1-17-34-24(16-25(35-17)40-12-10-33-11-13-40)39-28-38-23-9-8-22(37-27(23)42-28)18-4-2-5-19(14-18)26(41)36-21-7-3-6-20(15-21)29(30,31)32/h2-9,14-16,33H,10-13H2,1H3,(H,36,41)(H,34,35,38,39)
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n/an/an/a 5.60n/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
KINOMEscan (Ambit Biosciences, San Diego, Calif.), a high-throughput method for screening small molecular agents against a large panel of human kinas...


US Patent US8765747 (2014)


BindingDB Entry DOI: 10.7270/Q2VX0F6R
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor (PDGFr)


(Rattus norvegicus)
BDBM124970
PNG
(US8765747, 2)
Show SMILES CCN1CCN(Cc2ccc(NC(=O)c3cccc(c3)-c3ccc4nc(NC(=O)C5CC5)sc4n3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C29H25F3N8OS/c1-17-34-24(16-25(35-17)40-12-10-33-11-13-40)39-28-38-23-9-8-22(37-27(23)42-28)18-4-2-5-19(14-18)26(41)36-21-7-3-6-20(15-21)29(30,31)32/h2-9,14-16,33H,10-13H2,1H3,(H,36,41)(H,34,35,38,39)
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n/an/an/a 1.80n/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
KINOMEscan (Ambit Biosciences, San Diego, Calif.), a high-throughput method for screening small molecular agents against a large panel of human kinas...


US Patent US8765747 (2014)


BindingDB Entry DOI: 10.7270/Q2VX0F6R
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor


(Homo sapiens (Human))
BDBM124970
PNG
(US8765747, 2)
Show SMILES CCN1CCN(Cc2ccc(NC(=O)c3cccc(c3)-c3ccc4nc(NC(=O)C5CC5)sc4n3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C29H25F3N8OS/c1-17-34-24(16-25(35-17)40-12-10-33-11-13-40)39-28-38-23-9-8-22(37-27(23)42-28)18-4-2-5-19(14-18)26(41)36-21-7-3-6-20(15-21)29(30,31)32/h2-9,14-16,33H,10-13H2,1H3,(H,36,41)(H,34,35,38,39)
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n/an/an/a 7.70n/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
KINOMEscan (Ambit Biosciences, San Diego, Calif.), a high-throughput method for screening small molecular agents against a large panel of human kinas...


US Patent US8765747 (2014)


BindingDB Entry DOI: 10.7270/Q2VX0F6R
More data for this
Ligand-Target Pair
p38 delta/gamma


(Homo sapiens (Human))
BDBM124970
PNG
(US8765747, 2)
Show SMILES CCN1CCN(Cc2ccc(NC(=O)c3cccc(c3)-c3ccc4nc(NC(=O)C5CC5)sc4n3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C29H25F3N8OS/c1-17-34-24(16-25(35-17)40-12-10-33-11-13-40)39-28-38-23-9-8-22(37-27(23)42-28)18-4-2-5-19(14-18)26(41)36-21-7-3-6-20(15-21)29(30,31)32/h2-9,14-16,33H,10-13H2,1H3,(H,36,41)(H,34,35,38,39)
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n/an/an/a 100n/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
KINOMEscan (Ambit Biosciences, San Diego, Calif.), a high-throughput method for screening small molecular agents against a large panel of human kinas...


US Patent US8765747 (2014)


BindingDB Entry DOI: 10.7270/Q2VX0F6R
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase 10


(Homo sapiens (Human))
BDBM124970
PNG
(US8765747, 2)
Show SMILES CCN1CCN(Cc2ccc(NC(=O)c3cccc(c3)-c3ccc4nc(NC(=O)C5CC5)sc4n3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C29H25F3N8OS/c1-17-34-24(16-25(35-17)40-12-10-33-11-13-40)39-28-38-23-9-8-22(37-27(23)42-28)18-4-2-5-19(14-18)26(41)36-21-7-3-6-20(15-21)29(30,31)32/h2-9,14-16,33H,10-13H2,1H3,(H,36,41)(H,34,35,38,39)
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n/an/an/a 9.5n/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
KINOMEscan (Ambit Biosciences, San Diego, Calif.), a high-throughput method for screening small molecular agents against a large panel of human kinas...


US Patent US8765747 (2014)


BindingDB Entry DOI: 10.7270/Q2VX0F6R
More data for this
Ligand-Target Pair
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