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Patent code US10874675

Compile Data Set for Download or QSAR
Found 34 hits of Enzyme Inhibition Constant Data   
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
Malignant T-cell-amplified sequence 1


(Homo sapiens (human))		BDBM476267
PNG
(US10874675, Example 8)
Show SMILES CC(C)Cn1c2nc(COc3ccc([N+]([O-])=O)c4ccccc34)c(CCCCCO)nc2c(=O)n(C)c1=O
Show InChI InChI=1S/C27H31N5O6/c1-17(2)15-31-25-24(26(34)30(3)27(31)35)28-20(11-5-4-8-14-33)21(29-25)16-38-23-13-12-22(32(36)37)18-9-6-7-10-19(18)23/h6-7,9-10,12-13,17,33H,4-5,8,11,14-16H2,1-3H3
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THE SCRIPPS RESEARCH INSTITUTE

US Patent


Assay Description
Specific Examples of compounds of the invention, with estimated EC50 values determined using an MTT assay for 4-day viability of Raji (Burkitt's)...

US Patent US10874675 (2020)


BindingDB Entry DOI: 10.7270/Q29W0JJ5
More data for this
Ligand-Target Pair
Malignant T-cell-amplified sequence 1


(Homo sapiens (human))		BDBM476296
PNG
(US10874675, Example 33)
Show SMILES CC(C)Cn1c2nc(COc3cccc(N)c3)c(CCCCCO)nc2c(=O)n(C)c1=O
Show InChI InChI=1S/C23H31N5O4/c1-15(2)13-28-21-20(22(30)27(3)23(28)31)25-18(10-5-4-6-11-29)19(26-21)14-32-17-9-7-8-16(24)12-17/h7-9,12,15,29H,4-6,10-11,13-14,24H2,1-3H3
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THE SCRIPPS RESEARCH INSTITUTE

US Patent


Assay Description
Specific Examples of compounds of the invention, with estimated EC50 values determined using an MTT assay for 4-day viability of Raji (Burkitt's)...

US Patent US10874675 (2020)


BindingDB Entry DOI: 10.7270/Q29W0JJ5
More data for this
Ligand-Target Pair
Malignant T-cell-amplified sequence 1


(Homo sapiens (human))		BDBM476276
PNG
(US10874675, Example 15)
Show SMILES CC(C)Cn1c2nc(COc3ccccc3)c(CCCCCO)nc2c(=O)n(C)c1=O
Show InChI InChI=1S/C23H30N4O4/c1-16(2)14-27-21-20(22(29)26(3)23(27)30)24-18(12-8-5-9-13-28)19(25-21)15-31-17-10-6-4-7-11-17/h4,6-7,10-11,16,28H,5,8-9,12-15H2,1-3H3
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THE SCRIPPS RESEARCH INSTITUTE

US Patent


Assay Description
Specific Examples of compounds of the invention, with estimated EC50 values determined using an MTT assay for 4-day viability of Raji (Burkitt's)...

US Patent US10874675 (2020)


BindingDB Entry DOI: 10.7270/Q29W0JJ5
More data for this
Ligand-Target Pair
Malignant T-cell-amplified sequence 1


(Homo sapiens (human))		BDBM476277
PNG
(US10874675, Example 16)
Show SMILES CC(C)Cn1c2nc(COc3cccc(c3)C(F)(F)F)c(CCCCCO)nc2c(=O)n(C)c1=O
Show InChI InChI=1S/C24H29F3N4O4/c1-15(2)13-31-21-20(22(33)30(3)23(31)34)28-18(10-5-4-6-11-32)19(29-21)14-35-17-9-7-8-16(12-17)24(25,26)27/h7-9,12,15,32H,4-6,10-11,13-14H2,1-3H3
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THE SCRIPPS RESEARCH INSTITUTE

US Patent


Assay Description
Specific Examples of compounds of the invention, with estimated EC50 values determined using an MTT assay for 4-day viability of Raji (Burkitt's)...

US Patent US10874675 (2020)


BindingDB Entry DOI: 10.7270/Q29W0JJ5
More data for this
Ligand-Target Pair
Malignant T-cell-amplified sequence 1


(Homo sapiens (human))		BDBM476285
PNG
(US10874675, Example 24)
Show SMILES CC(C)Cn1c2nc(COc3cc(F)ccc3Br)c(CCCCCO)nc2c(=O)n(C)c1=O
Show InChI InChI=1S/C23H28BrFN4O4/c1-14(2)12-29-21-20(22(31)28(3)23(29)32)26-17(7-5-4-6-10-30)18(27-21)13-33-19-11-15(25)8-9-16(19)24/h8-9,11,14,30H,4-7,10,12-13H2,1-3H3
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THE SCRIPPS RESEARCH INSTITUTE

US Patent


Assay Description
Specific Examples of compounds of the invention, with estimated EC50 values determined using an MTT assay for 4-day viability of Raji (Burkitt's)...

US Patent US10874675 (2020)


BindingDB Entry DOI: 10.7270/Q29W0JJ5
More data for this
Ligand-Target Pair
Malignant T-cell-amplified sequence 1


(Homo sapiens (human))		BDBM476287
PNG
(US10874675, Example 25)
Show SMILES CC(C)Cn1c2nc(COc3cccc4ccncc34)c(CCCCCO)nc2c(=O)n(C)c1=O
Show InChI InChI=1S/C26H31N5O4/c1-17(2)15-31-24-23(25(33)30(3)26(31)34)28-20(9-5-4-6-13-32)21(29-24)16-35-22-10-7-8-18-11-12-27-14-19(18)22/h7-8,10-12,14,17,32H,4-6,9,13,15-16H2,1-3H3
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THE SCRIPPS RESEARCH INSTITUTE

US Patent


Assay Description
Specific Examples of compounds of the invention, with estimated EC50 values determined using an MTT assay for 4-day viability of Raji (Burkitt's)...

US Patent US10874675 (2020)


BindingDB Entry DOI: 10.7270/Q29W0JJ5
More data for this
Ligand-Target Pair
Malignant T-cell-amplified sequence 1


(Homo sapiens (human))		BDBM476298
PNG
(US10874675, Example 35)
Show SMILES CC(C)Cn1c2nc(COc3cccc4ccccc34)c(CCc3ccccc3CO)nc2c(=O)n(C)c1=O
Show InChI InChI=1S/C31H32N4O4/c1-20(2)17-35-29-28(30(37)34(3)31(35)38)32-25(16-15-21-9-4-5-11-23(21)18-36)26(33-29)19-39-27-14-8-12-22-10-6-7-13-24(22)27/h4-14,20,36H,15-19H2,1-3H3
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THE SCRIPPS RESEARCH INSTITUTE

US Patent


Assay Description
Specific Examples of compounds of the invention, with estimated EC50 values determined using an MTT assay for 4-day viability of Raji (Burkitt's)...

US Patent US10874675 (2020)


BindingDB Entry DOI: 10.7270/Q29W0JJ5
More data for this
Ligand-Target Pair
Malignant T-cell-amplified sequence 1


(Homo sapiens (human))		BDBM476279
PNG
(US10874675, Example 18)
Show SMILES CC(C)Cn1c2nc(COc3ccc4ncccc4c3)c(CCCCCO)nc2c(=O)n(C)c1=O
Show InChI InChI=1S/C26H31N5O4/c1-17(2)15-31-24-23(25(33)30(3)26(31)34)28-21(9-5-4-6-13-32)22(29-24)16-35-19-10-11-20-18(14-19)8-7-12-27-20/h7-8,10-12,14,17,32H,4-6,9,13,15-16H2,1-3H3
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THE SCRIPPS RESEARCH INSTITUTE

US Patent


Assay Description
Specific Examples of compounds of the invention, with estimated EC50 values determined using an MTT assay for 4-day viability of Raji (Burkitt's)...

US Patent US10874675 (2020)


BindingDB Entry DOI: 10.7270/Q29W0JJ5
More data for this
Ligand-Target Pair
Malignant T-cell-amplified sequence 1


(Homo sapiens (human))		BDBM476289
PNG
(US10874675, Example 27)
Show SMILES CC(C)Cn1c2nc(COc3cc4ccccc4cn3)c(CCCCCO)nc2c(=O)n(C)c1=O
Show InChI InChI=1S/C26H31N5O4/c1-17(2)15-31-24-23(25(33)30(3)26(31)34)28-20(11-5-4-8-12-32)21(29-24)16-35-22-13-18-9-6-7-10-19(18)14-27-22/h6-7,9-10,13-14,17,32H,4-5,8,11-12,15-16H2,1-3H3
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THE SCRIPPS RESEARCH INSTITUTE

US Patent


Assay Description
Specific Examples of compounds of the invention, with estimated EC50 values determined using an MTT assay for 4-day viability of Raji (Burkitt's)...

US Patent US10874675 (2020)


BindingDB Entry DOI: 10.7270/Q29W0JJ5
More data for this
Ligand-Target Pair
Malignant T-cell-amplified sequence 1


(Homo sapiens (human))		BDBM476297
PNG
(US10874675, Example 34)
Show SMILES CC(C)Cn1c2nc(COc3ccccc3C#N)c(CCCCCO)nc2c(=O)n(C)c1=O
Show InChI InChI=1S/C24H29N5O4/c1-16(2)14-29-22-21(23(31)28(3)24(29)32)26-18(10-5-4-8-12-30)19(27-22)15-33-20-11-7-6-9-17(20)13-25/h6-7,9,11,16,30H,4-5,8,10,12,14-15H2,1-3H3
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THE SCRIPPS RESEARCH INSTITUTE

US Patent


Assay Description
Specific Examples of compounds of the invention, with estimated EC50 values determined using an MTT assay for 4-day viability of Raji (Burkitt's)...

US Patent US10874675 (2020)


BindingDB Entry DOI: 10.7270/Q29W0JJ5
More data for this
Ligand-Target Pair
Malignant T-cell-amplified sequence 1


(Homo sapiens (human))		BDBM476241
PNG
(US10874675, Example 3)
Show SMILES CC(C)Cn1c2nc(COc3cccc4cnccc34)c(CCCCCO)nc2c(=O)n(C)c1=O
Show InChI InChI=1S/C26H31N5O4/c1-17(2)15-31-24-23(25(33)30(3)26(31)34)28-20(9-5-4-6-13-32)21(29-24)16-35-22-10-7-8-18-14-27-12-11-19(18)22/h7-8,10-12,14,17,32H,4-6,9,13,15-16H2,1-3H3
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THE SCRIPPS RESEARCH INSTITUTE

US Patent


Assay Description
Specific Examples of compounds of the invention, with estimated EC50 values determined using an MTT assay for 4-day viability of Raji (Burkitt's)...

US Patent US10874675 (2020)


BindingDB Entry DOI: 10.7270/Q29W0JJ5
More data for this
Ligand-Target Pair
Malignant T-cell-amplified sequence 1


(Homo sapiens (human))		BDBM476264
PNG
(US10874675, Example 7)
Show SMILES CC(C)Cn1c2nc(COc3ccccc3C(F)(F)F)c(CCCCCO)nc2c(=O)n(C)c1=O
Show InChI InChI=1S/C24H29F3N4O4/c1-15(2)13-31-21-20(22(33)30(3)23(31)34)28-17(10-5-4-8-12-32)18(29-21)14-35-19-11-7-6-9-16(19)24(25,26)27/h6-7,9,11,15,32H,4-5,8,10,12-14H2,1-3H3
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THE SCRIPPS RESEARCH INSTITUTE

US Patent


Assay Description
Specific Examples of compounds of the invention, with estimated EC50 values determined using an MTT assay for 4-day viability of Raji (Burkitt's)...

US Patent US10874675 (2020)


BindingDB Entry DOI: 10.7270/Q29W0JJ5
More data for this
Ligand-Target Pair
Malignant T-cell-amplified sequence 1


(Homo sapiens (human))		BDBM476269
PNG
(US10874675, Example 10)
Show SMILES CC(C)Cn1c2nc(COc3ccc4ccccc4c3)c(CCCCCO)nc2c(=O)n(C)c1=O
Show InChI InChI=1S/C27H32N4O4/c1-18(2)16-31-25-24(26(33)30(3)27(31)34)28-22(11-5-4-8-14-32)23(29-25)17-35-21-13-12-19-9-6-7-10-20(19)15-21/h6-7,9-10,12-13,15,18,32H,4-5,8,11,14,16-17H2,1-3H3
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THE SCRIPPS RESEARCH INSTITUTE

US Patent


Assay Description
Specific Examples of compounds of the invention, with estimated EC50 values determined using an MTT assay for 4-day viability of Raji (Burkitt's)...

US Patent US10874675 (2020)


BindingDB Entry DOI: 10.7270/Q29W0JJ5
More data for this
Ligand-Target Pair
Malignant T-cell-amplified sequence 1


(Homo sapiens (human))		BDBM476283
PNG
(US10874675, Example 22)
Show SMILES CC(C)Cn1c2nc(COc3ccc(cc3)C(F)(F)F)c(CCCCCO)nc2c(=O)n(C)c1=O
Show InChI InChI=1S/C24H29F3N4O4/c1-15(2)13-31-21-20(22(33)30(3)23(31)34)28-18(7-5-4-6-12-32)19(29-21)14-35-17-10-8-16(9-11-17)24(25,26)27/h8-11,15,32H,4-7,12-14H2,1-3H3
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THE SCRIPPS RESEARCH INSTITUTE

US Patent


Assay Description
Specific Examples of compounds of the invention, with estimated EC50 values determined using an MTT assay for 4-day viability of Raji (Burkitt's)...

US Patent US10874675 (2020)


BindingDB Entry DOI: 10.7270/Q29W0JJ5
More data for this
Ligand-Target Pair
Malignant T-cell-amplified sequence 1


(Homo sapiens (human))		BDBM476292
PNG
(US10874675, Example 29)
Show SMILES CC(C)Cn1c2nc(COc3c(Br)cc(Br)c4cnccc34)c(CCCCCO)nc2c(=O)n(C)c1=O
Show InChI InChI=1S/C26H29Br2N5O4/c1-15(2)13-33-24-22(25(35)32(3)26(33)36)30-20(7-5-4-6-10-34)21(31-24)14-37-23-16-8-9-29-12-17(16)18(27)11-19(23)28/h8-9,11-12,15,34H,4-7,10,13-14H2,1-3H3
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THE SCRIPPS RESEARCH INSTITUTE

US Patent


Assay Description
Specific Examples of compounds of the invention, with estimated EC50 values determined using an MTT assay for 4-day viability of Raji (Burkitt's)...

US Patent US10874675 (2020)


BindingDB Entry DOI: 10.7270/Q29W0JJ5
More data for this
Ligand-Target Pair
Malignant T-cell-amplified sequence 1


(Homo sapiens (human))		BDBM476294
PNG
(US10874675, Example 31)
Show SMILES CC(C)Cn1c2nc(COc3cccnc3)c(CCCCCO)nc2c(=O)n(C)c1=O
Show InChI InChI=1S/C22H29N5O4/c1-15(2)13-27-20-19(21(29)26(3)22(27)30)24-17(9-5-4-6-11-28)18(25-20)14-31-16-8-7-10-23-12-16/h7-8,10,12,15,28H,4-6,9,11,13-14H2,1-3H3
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THE SCRIPPS RESEARCH INSTITUTE

US Patent


Assay Description
Specific Examples of compounds of the invention, with estimated EC50 values determined using an MTT assay for 4-day viability of Raji (Burkitt's)...

US Patent US10874675 (2020)


BindingDB Entry DOI: 10.7270/Q29W0JJ5
More data for this
Ligand-Target Pair
Malignant T-cell-amplified sequence 1


(Homo sapiens (human))		BDBM476268
PNG
(US10874675, Example 9)
Show SMILES CC(C)Cn1c2nc(COc3ccc(N)c4ccccc34)c(CCCCCO)nc2c(=O)n(C)c1=O
Show InChI InChI=1S/C27H33N5O4/c1-17(2)15-32-25-24(26(34)31(3)27(32)35)29-21(11-5-4-8-14-33)22(30-25)16-36-23-13-12-20(28)18-9-6-7-10-19(18)23/h6-7,9-10,12-13,17,33H,4-5,8,11,14-16,28H2,1-3H3
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THE SCRIPPS RESEARCH INSTITUTE

US Patent


Assay Description
Specific Examples of compounds of the invention, with estimated EC50 values determined using an MTT assay for 4-day viability of Raji (Burkitt's)...

US Patent US10874675 (2020)


BindingDB Entry DOI: 10.7270/Q29W0JJ5
More data for this
Ligand-Target Pair
Malignant T-cell-amplified sequence 1


(Homo sapiens (human))		BDBM476274
PNG
(US10874675, Example 13)
Show SMILES CC(C)Cn1c2nc(COc3ccccc3Cl)c(CCCCCO)nc2c(=O)n(C)c1=O
Show InChI InChI=1S/C23H29ClN4O4/c1-15(2)13-28-21-20(22(30)27(3)23(28)31)25-17(10-5-4-8-12-29)18(26-21)14-32-19-11-7-6-9-16(19)24/h6-7,9,11,15,29H,4-5,8,10,12-14H2,1-3H3
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THE SCRIPPS RESEARCH INSTITUTE

US Patent


Assay Description
Specific Examples of compounds of the invention, with estimated EC50 values determined using an MTT assay for 4-day viability of Raji (Burkitt's)...

US Patent US10874675 (2020)


BindingDB Entry DOI: 10.7270/Q29W0JJ5
More data for this
Ligand-Target Pair
Malignant T-cell-amplified sequence 1


(Homo sapiens (human))		BDBM476284
PNG
(US10874675, Example 23)
Show SMILES CC(C)Cn1c2nc(COc3ccccc3-c3ccccc3)c(CCCCCO)nc2c(=O)n(C)c1=O
Show InChI InChI=1S/C29H34N4O4/c1-20(2)18-33-27-26(28(35)32(3)29(33)36)30-23(15-8-5-11-17-34)24(31-27)19-37-25-16-10-9-14-22(25)21-12-6-4-7-13-21/h4,6-7,9-10,12-14,16,20,34H,5,8,11,15,17-19H2,1-3H3
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THE SCRIPPS RESEARCH INSTITUTE

US Patent


Assay Description
Specific Examples of compounds of the invention, with estimated EC50 values determined using an MTT assay for 4-day viability of Raji (Burkitt's)...

US Patent US10874675 (2020)


BindingDB Entry DOI: 10.7270/Q29W0JJ5
More data for this
Ligand-Target Pair
Malignant T-cell-amplified sequence 1


(Homo sapiens (human))		BDBM476288
PNG
(US10874675, Example 26)
Show SMILES CC(C)Cn1c2nc(COc3cccc4cccnc34)c(CCCCCO)nc2c(=O)n(C)c1=O
Show InChI InChI=1S/C26H31N5O4/c1-17(2)15-31-24-23(25(33)30(3)26(31)34)28-19(11-5-4-6-14-32)20(29-24)16-35-21-12-7-9-18-10-8-13-27-22(18)21/h7-10,12-13,17,32H,4-6,11,14-16H2,1-3H3
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THE SCRIPPS RESEARCH INSTITUTE

US Patent


Assay Description
Specific Examples of compounds of the invention, with estimated EC50 values determined using an MTT assay for 4-day viability of Raji (Burkitt's)...

US Patent US10874675 (2020)


BindingDB Entry DOI: 10.7270/Q29W0JJ5
More data for this
Ligand-Target Pair
Malignant T-cell-amplified sequence 1


(Homo sapiens (human))		BDBM476261
PNG
(US10874675, Example 5)
Show SMILES CC(C)Cn1c2nc(COc3cncc4ccccc34)c(CCCCCO)nc2c(=O)n(C)c1=O
Show InChI InChI=1S/C26H31N5O4/c1-17(2)15-31-24-23(25(33)30(3)26(31)34)28-20(11-5-4-8-12-32)21(29-24)16-35-22-14-27-13-18-9-6-7-10-19(18)22/h6-7,9-10,13-14,17,32H,4-5,8,11-12,15-16H2,1-3H3
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THE SCRIPPS RESEARCH INSTITUTE

US Patent


Assay Description
Specific Examples of compounds of the invention, with estimated EC50 values determined using an MTT assay for 4-day viability of Raji (Burkitt's)...

US Patent US10874675 (2020)


BindingDB Entry DOI: 10.7270/Q29W0JJ5
More data for this
Ligand-Target Pair
Malignant T-cell-amplified sequence 1


(Homo sapiens (human))		BDBM476263
PNG
(US10874675, Example 6)
Show SMILES CC(C)Cn1c2nc(COc3cccc4[nH]ccc34)c(CCCCCO)nc2c(=O)n(C)c1=O
Show InChI InChI=1S/C25H31N5O4/c1-16(2)14-30-23-22(24(32)29(3)25(30)33)27-19(8-5-4-6-13-31)20(28-23)15-34-21-10-7-9-18-17(21)11-12-26-18/h7,9-12,16,26,31H,4-6,8,13-15H2,1-3H3
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THE SCRIPPS RESEARCH INSTITUTE

US Patent


Assay Description
Specific Examples of compounds of the invention, with estimated EC50 values determined using an MTT assay for 4-day viability of Raji (Burkitt's)...

US Patent US10874675 (2020)


BindingDB Entry DOI: 10.7270/Q29W0JJ5
More data for this
Ligand-Target Pair
Malignant T-cell-amplified sequence 1


(Homo sapiens (human))		BDBM476282
PNG
(US10874675, Example 21)
Show SMILES CC(C)Cn1c2nc(COc3ccc(Cl)cc3Br)c(CCCCCO)nc2c(=O)n(C)c1=O
Show InChI InChI=1S/C23H28BrClN4O4/c1-14(2)12-29-21-20(22(31)28(3)23(29)32)26-17(7-5-4-6-10-30)18(27-21)13-33-19-9-8-15(25)11-16(19)24/h8-9,11,14,30H,4-7,10,12-13H2,1-3H3
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THE SCRIPPS RESEARCH INSTITUTE

US Patent


Assay Description
Specific Examples of compounds of the invention, with estimated EC50 values determined using an MTT assay for 4-day viability of Raji (Burkitt's)...

US Patent US10874675 (2020)


BindingDB Entry DOI: 10.7270/Q29W0JJ5
More data for this
Ligand-Target Pair
Malignant T-cell-amplified sequence 1


(Homo sapiens (human))		BDBM476240
PNG
(US10874675, Example 2)
Show SMILES CC(C)Cn1c2nc(COc3cccc4ccccc34)c(CCCCCO)nc2c(=O)n(C)c1=O
Show InChI InChI=1S/C27H32N4O4/c1-18(2)16-31-25-24(26(33)30(3)27(31)34)28-21(13-5-4-8-15-32)22(29-25)17-35-23-14-9-11-19-10-6-7-12-20(19)23/h6-7,9-12,14,18,32H,4-5,8,13,15-17H2,1-3H3
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THE SCRIPPS RESEARCH INSTITUTE

US Patent


Assay Description
Specific Examples of compounds of the invention, with estimated EC50 values determined using an MTT assay for 4-day viability of Raji (Burkitt's)...

US Patent US10874675 (2020)


BindingDB Entry DOI: 10.7270/Q29W0JJ5
More data for this
Ligand-Target Pair
Malignant T-cell-amplified sequence 1


(Homo sapiens (human))		BDBM476242
PNG
(US10874675, Example 4)
Show SMILES CC(C)Cn1c2nc(COc3cccc4ncccc34)c(CCCCCO)nc2c(=O)n(C)c1=O
Show InChI InChI=1S/C26H31N5O4/c1-17(2)15-31-24-23(25(33)30(3)26(31)34)28-20(10-5-4-6-14-32)21(29-24)16-35-22-12-7-11-19-18(22)9-8-13-27-19/h7-9,11-13,17,32H,4-6,10,14-16H2,1-3H3
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THE SCRIPPS RESEARCH INSTITUTE

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Assay Description
Specific Examples of compounds of the invention, with estimated EC50 values determined using an MTT assay for 4-day viability of Raji (Burkitt's)...

US Patent US10874675 (2020)


BindingDB Entry DOI: 10.7270/Q29W0JJ5
More data for this
Ligand-Target Pair
Malignant T-cell-amplified sequence 1


(Homo sapiens (human))		BDBM476273
PNG
(US10874675, Example 12)
Show SMILES CC(C)Cn1c2nc(COc3ccnc4ccccc34)c(CCCCCO)nc2c(=O)n(C)c1=O
Show InChI InChI=1S/C26H31N5O4/c1-17(2)15-31-24-23(25(33)30(3)26(31)34)28-20(11-5-4-8-14-32)21(29-24)16-35-22-12-13-27-19-10-7-6-9-18(19)22/h6-7,9-10,12-13,17,32H,4-5,8,11,14-16H2,1-3H3
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THE SCRIPPS RESEARCH INSTITUTE

US Patent


Assay Description
Specific Examples of compounds of the invention, with estimated EC50 values determined using an MTT assay for 4-day viability of Raji (Burkitt's)...

US Patent US10874675 (2020)


BindingDB Entry DOI: 10.7270/Q29W0JJ5
More data for this
Ligand-Target Pair
Malignant T-cell-amplified sequence 1


(Homo sapiens (human))		BDBM476280
PNG
(US10874675, Example 19)
Show SMILES CC(C)Cn1c2nc(COc3ccc(Br)cc3Br)c(CCCCCO)nc2c(=O)n(C)c1=O
Show InChI InChI=1S/C23H28Br2N4O4/c1-14(2)12-29-21-20(22(31)28(3)23(29)32)26-17(7-5-4-6-10-30)18(27-21)13-33-19-9-8-15(24)11-16(19)25/h8-9,11,14,30H,4-7,10,12-13H2,1-3H3
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THE SCRIPPS RESEARCH INSTITUTE

US Patent


Assay Description
Specific Examples of compounds of the invention, with estimated EC50 values determined using an MTT assay for 4-day viability of Raji (Burkitt's)...

US Patent US10874675 (2020)


BindingDB Entry DOI: 10.7270/Q29W0JJ5
More data for this
Ligand-Target Pair
Malignant T-cell-amplified sequence 1


(Homo sapiens (human))		BDBM476281
PNG
(US10874675, Example 20)
Show SMILES CC(C)Cn1c2nc(COc3ccc4cccnc4c3)c(CCCCCO)nc2c(=O)n(C)c1=O
Show InChI InChI=1S/C26H31N5O4/c1-17(2)15-31-24-23(25(33)30(3)26(31)34)28-20(9-5-4-6-13-32)22(29-24)16-35-19-11-10-18-8-7-12-27-21(18)14-19/h7-8,10-12,14,17,32H,4-6,9,13,15-16H2,1-3H3
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THE SCRIPPS RESEARCH INSTITUTE

US Patent


Assay Description
Specific Examples of compounds of the invention, with estimated EC50 values determined using an MTT assay for 4-day viability of Raji (Burkitt's)...

US Patent US10874675 (2020)


BindingDB Entry DOI: 10.7270/Q29W0JJ5
More data for this
Ligand-Target Pair
Malignant T-cell-amplified sequence 1


(Homo sapiens (human))		BDBM476291
PNG
(US10874675, Example 28)
Show SMILES CC(C)Cn1c2nc(COc3ccncc3)c(CCCCCO)nc2c(=O)n(C)c1=O
Show InChI InChI=1S/C22H29N5O4/c1-15(2)13-27-20-19(21(29)26(3)22(27)30)24-17(7-5-4-6-12-28)18(25-20)14-31-16-8-10-23-11-9-16/h8-11,15,28H,4-7,12-14H2,1-3H3
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THE SCRIPPS RESEARCH INSTITUTE

US Patent


Assay Description
Specific Examples of compounds of the invention, with estimated EC50 values determined using an MTT assay for 4-day viability of Raji (Burkitt's)...

US Patent US10874675 (2020)


BindingDB Entry DOI: 10.7270/Q29W0JJ5
More data for this
Ligand-Target Pair
Malignant T-cell-amplified sequence 1


(Homo sapiens (human))		BDBM476278
PNG
(US10874675, Example 17)
Show SMILES CC(C)Cn1c2nc(COc3ccccc3F)c(CCCCCO)nc2c(=O)n(C)c1=O
Show InChI InChI=1S/C23H29FN4O4/c1-15(2)13-28-21-20(22(30)27(3)23(28)31)25-17(10-5-4-8-12-29)18(26-21)14-32-19-11-7-6-9-16(19)24/h6-7,9,11,15,29H,4-5,8,10,12-14H2,1-3H3
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THE SCRIPPS RESEARCH INSTITUTE

US Patent


Assay Description
Specific Examples of compounds of the invention, with estimated EC50 values determined using an MTT assay for 4-day viability of Raji (Burkitt's)...

US Patent US10874675 (2020)


BindingDB Entry DOI: 10.7270/Q29W0JJ5
More data for this
Ligand-Target Pair
Malignant T-cell-amplified sequence 1


(Homo sapiens (human))		BDBM476295
PNG
(US10874675, Example 32)
Show SMILES CC(C)Cn1c2nc(COc3cccc(c3)[N+]([O-])=O)c(CCCCCO)nc2c(=O)n(C)c1=O
Show InChI InChI=1S/C23H29N5O6/c1-15(2)13-27-21-20(22(30)26(3)23(27)31)24-18(10-5-4-6-11-29)19(25-21)14-34-17-9-7-8-16(12-17)28(32)33/h7-9,12,15,29H,4-6,10-11,13-14H2,1-3H3
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THE SCRIPPS RESEARCH INSTITUTE

US Patent


Assay Description
Specific Examples of compounds of the invention, with estimated EC50 values determined using an MTT assay for 4-day viability of Raji (Burkitt's)...

US Patent US10874675 (2020)


BindingDB Entry DOI: 10.7270/Q29W0JJ5
More data for this
Ligand-Target Pair
Malignant T-cell-amplified sequence 1


(Homo sapiens (human))		BDBM476275
PNG
(US10874675, Example 14)
Show SMILES CC(C)Cn1c2nc(COc3ccc(cc3)-c3ccccc3)c(CCCCCO)nc2c(=O)n(C)c1=O
Show InChI InChI=1S/C29H34N4O4/c1-20(2)18-33-27-26(28(35)32(3)29(33)36)30-24(12-8-5-9-17-34)25(31-27)19-37-23-15-13-22(14-16-23)21-10-6-4-7-11-21/h4,6-7,10-11,13-16,20,34H,5,8-9,12,17-19H2,1-3H3
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THE SCRIPPS RESEARCH INSTITUTE

US Patent


Assay Description
Specific Examples of compounds of the invention, with estimated EC50 values determined using an MTT assay for 4-day viability of Raji (Burkitt's)...

US Patent US10874675 (2020)


BindingDB Entry DOI: 10.7270/Q29W0JJ5
More data for this
Ligand-Target Pair
Malignant T-cell-amplified sequence 1


(Homo sapiens (human))		BDBM476293
PNG
(US10874675, Example 30)
Show SMILES CC(C)Cn1c2nc(COc3cccc4nccnc34)c(CCCCCO)nc2c(=O)n(C)c1=O
Show InChI InChI=1S/C25H30N6O4/c1-16(2)14-31-23-22(24(33)30(3)25(31)34)28-17(8-5-4-6-13-32)19(29-23)15-35-20-10-7-9-18-21(20)27-12-11-26-18/h7,9-12,16,32H,4-6,8,13-15H2,1-3H3
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THE SCRIPPS RESEARCH INSTITUTE

US Patent


Assay Description
Specific Examples of compounds of the invention, with estimated EC50 values determined using an MTT assay for 4-day viability of Raji (Burkitt's)...

US Patent US10874675 (2020)


BindingDB Entry DOI: 10.7270/Q29W0JJ5
More data for this
Ligand-Target Pair
Malignant T-cell-amplified sequence 1


(Homo sapiens (human))		BDBM476270
PNG
(US10874675, Example 11)
Show SMILES CC(C)Cn1c2nc(COc3ccccc3Br)c(CCCCCO)nc2c(=O)n(C)c1=O
Show InChI InChI=1S/C23H29BrN4O4/c1-15(2)13-28-21-20(22(30)27(3)23(28)31)25-17(10-5-4-8-12-29)18(26-21)14-32-19-11-7-6-9-16(19)24/h6-7,9,11,15,29H,4-5,8,10,12-14H2,1-3H3
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THE SCRIPPS RESEARCH INSTITUTE

US Patent


Assay Description
Specific Examples of compounds of the invention, with estimated EC50 values determined using an MTT assay for 4-day viability of Raji (Burkitt's)...

US Patent US10874675 (2020)


BindingDB Entry DOI: 10.7270/Q29W0JJ5
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%