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Patent code US10329303

Compile Data Set for Download or QSAR
Found 52 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))		BDBM403109
PNG
(US10329303, Example 12)
Show SMILES CC(C)Cn1c2sc(Cc3c(C)n[nH]c3C)c(-c3cncc(CO)c3)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C23H27N5O3S/c1-12(2)10-28-22-20(21(30)27(5)23(28)31)19(16-6-15(11-29)8-24-9-16)18(32-22)7-17-13(3)25-26-14(17)4/h6,8-9,12,29H,7,10-11H2,1-5H3,(H,25,26)
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n/an/an/an/a 75n/an/an/an/a



The Scripps Research Institute

US Patent


Assay Description
pecific Examples 1-52 of compounds of the invention, with estimated EC50 values determined using an MTT assay for 4-day viability of Raji (Burkitt...

US Patent US10329303 (2019)

More data for this
Ligand-Target Pair
Malignant T-cell-amplified sequence 1


(Homo sapiens (human))		BDBM403244
PNG
(US10329303, Example 43)
Show SMILES CC(C)Cc1nn(C)c(=O)c2c(-c3cccc(CO)c3)n(Cc3c(C)n[nH]c3C)cc12
Show InChI InChI=1S/C24H29N5O2/c1-14(2)9-21-20-12-29(11-19-15(3)25-26-16(19)4)23(22(20)24(31)28(5)27-21)18-8-6-7-17(10-18)13-30/h6-8,10,12,14,30H,9,11,13H2,1-5H3,(H,25,26)
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n/an/an/an/a 500n/an/an/an/a



The Scripps Research Institute

US Patent


Assay Description
pecific Examples 1-52 of compounds of the invention, with estimated EC50 values determined using an MTT assay for 4-day viability of Raji (Burkitt...

US Patent US10329303 (2019)

More data for this
Ligand-Target Pair
Malignant T-cell-amplified sequence 1


(Homo sapiens (human))		BDBM403225
PNG
(US10329303, Example 24)
Show SMILES CC(C)Cn1c2sc(Cc3c(C)n[nH]c3C)c(-c3cccc(CO)c3)c2c(=O)n(C2CC2)c1=O
Show InChI InChI=1S/C26H30N4O3S/c1-14(2)12-29-25-23(24(32)30(26(29)33)19-8-9-19)22(18-7-5-6-17(10-18)13-31)21(34-25)11-20-15(3)27-28-16(20)4/h5-7,10,14,19,31H,8-9,11-13H2,1-4H3,(H,27,28)
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n/an/an/an/a 1n/an/an/an/a



The Scripps Research Institute

US Patent


Assay Description
pecific Examples 1-52 of compounds of the invention, with estimated EC50 values determined using an MTT assay for 4-day viability of Raji (Burkitt...

US Patent US10329303 (2019)

More data for this
Ligand-Target Pair
Malignant T-cell-amplified sequence 1


(Homo sapiens (human))		BDBM403229
PNG
(US10329303, Example 28)
Show SMILES CC(C)Cc1nn(C)c(=O)c2c(-c3cc(CO)ccc3F)n(Cc3cccc4ccccc34)cc12
Show InChI InChI=1S/C29H28FN3O2/c1-18(2)13-26-24-16-33(15-21-9-6-8-20-7-4-5-10-22(20)21)28(27(24)29(35)32(3)31-26)23-14-19(17-34)11-12-25(23)30/h4-12,14,16,18,34H,13,15,17H2,1-3H3
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n/an/an/an/a 40n/an/an/an/a



The Scripps Research Institute

US Patent


Assay Description
pecific Examples 1-52 of compounds of the invention, with estimated EC50 values determined using an MTT assay for 4-day viability of Raji (Burkitt...

US Patent US10329303 (2019)

More data for this
Ligand-Target Pair
Malignant T-cell-amplified sequence 1


(Homo sapiens (human))		BDBM403240
PNG
(US10329303, Example 39)
Show SMILES CC(C)Cc1nn(C)c(=O)c2c(-c3ccc(s3)C(O)C(F)(F)F)n(Cc3cccc4ccccc34)cc12
Show InChI InChI=1S/C28H26F3N3O2S/c1-16(2)13-21-20-15-34(14-18-9-6-8-17-7-4-5-10-19(17)18)25(24(20)27(36)33(3)32-21)22-11-12-23(37-22)26(35)28(29,30)31/h4-12,15-16,26,35H,13-14H2,1-3H3
PDB

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n/an/an/an/a 90n/an/an/an/a



The Scripps Research Institute

US Patent


Assay Description
pecific Examples 1-52 of compounds of the invention, with estimated EC50 values determined using an MTT assay for 4-day viability of Raji (Burkitt...

US Patent US10329303 (2019)

More data for this
Ligand-Target Pair
Malignant T-cell-amplified sequence 1


(Homo sapiens (human))		BDBM403243
PNG
(US10329303, Example 42)
Show SMILES CC(C)Cc1nn(C)c(=O)c2c(-c3cccc(c3)C(C)O)n(Cc3ccc(cc3)-c3ccccc3)cc12
Show InChI InChI=1S/C32H33N3O2/c1-21(2)17-29-28-20-35(19-23-13-15-25(16-14-23)24-9-6-5-7-10-24)31(30(28)32(37)34(4)33-29)27-12-8-11-26(18-27)22(3)36/h5-16,18,20-22,36H,17,19H2,1-4H3
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n/an/an/an/a 5.50E+3n/an/an/an/a



The Scripps Research Institute

US Patent


Assay Description
pecific Examples 1-52 of compounds of the invention, with estimated EC50 values determined using an MTT assay for 4-day viability of Raji (Burkitt...

US Patent US10329303 (2019)

More data for this
Ligand-Target Pair
Malignant T-cell-amplified sequence 1


(Homo sapiens (human))		BDBM403251
PNG
(US10329303, Example 50)
Show SMILES CC(C)Cc1nn(C)c(=O)c2c(-c3cccc(CO)c3)n(Cc3cnc(NCN)c4ccccc34)cc12
Show InChI InChI=1S/C29H32N6O2/c1-18(2)11-25-24-15-35(14-21-13-31-28(32-17-30)23-10-5-4-9-22(21)23)27(26(24)29(37)34(3)33-25)20-8-6-7-19(12-20)16-36/h4-10,12-13,15,18,36H,11,14,16-17,30H2,1-3H3,(H,31,32)
PDB

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n/an/an/an/a<20n/an/an/an/a



The Scripps Research Institute

US Patent


Assay Description
pecific Examples 1-52 of compounds of the invention, with estimated EC50 values determined using an MTT assay for 4-day viability of Raji (Burkitt...

US Patent US10329303 (2019)

More data for this
Ligand-Target Pair
Malignant T-cell-amplified sequence 1


(Homo sapiens (human))		BDBM402975
PNG
(US10329303, Example 4)
Show SMILES CC(C)Cn1c2sc(Cc3c(C)n[nH]c3C)c(-c3cnc(F)c(CO)c3)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C23H26FN5O3S/c1-11(2)9-29-22-19(21(31)28(5)23(29)32)18(14-6-15(10-30)20(24)25-8-14)17(33-22)7-16-12(3)26-27-13(16)4/h6,8,11,30H,7,9-10H2,1-5H3,(H,26,27)
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n/an/an/an/a 200n/an/an/an/a



The Scripps Research Institute

US Patent


Assay Description
pecific Examples 1-52 of compounds of the invention, with estimated EC50 values determined using an MTT assay for 4-day viability of Raji (Burkitt...

US Patent US10329303 (2019)

More data for this
Ligand-Target Pair
Malignant T-cell-amplified sequence 1


(Homo sapiens (human))		BDBM403093
PNG
(US10329303, Example 9)
Show SMILES CC(C)Cn1c2sc(Cc3c(C)n[nH]c3C)c(-c3ccc(F)c(CO)c3)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C24H27FN4O3S/c1-12(2)10-29-23-21(22(31)28(5)24(29)32)20(15-6-7-18(25)16(8-15)11-30)19(33-23)9-17-13(3)26-27-14(17)4/h6-8,12,30H,9-11H2,1-5H3,(H,26,27)
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n/an/an/an/a<20n/an/an/an/a



The Scripps Research Institute

US Patent


Assay Description
pecific Examples 1-52 of compounds of the invention, with estimated EC50 values determined using an MTT assay for 4-day viability of Raji (Burkitt...

US Patent US10329303 (2019)

More data for this
Ligand-Target Pair
Malignant T-cell-amplified sequence 1


(Homo sapiens (human))		BDBM403094
PNG
(US10329303, Example 10)
Show SMILES CC(C)Cn1c2sc(Cc3c(C)n[nH]c3C)c(-c3ccnc(CO)c3)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C23H27N5O3S/c1-12(2)10-28-22-20(21(30)27(5)23(28)31)19(15-6-7-24-16(8-15)11-29)18(32-22)9-17-13(3)25-26-14(17)4/h6-8,12,29H,9-11H2,1-5H3,(H,25,26)
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n/an/an/an/a 90n/an/an/an/a



The Scripps Research Institute

US Patent


Assay Description
pecific Examples 1-52 of compounds of the invention, with estimated EC50 values determined using an MTT assay for 4-day viability of Raji (Burkitt...

US Patent US10329303 (2019)

More data for this
Ligand-Target Pair
Malignant T-cell-amplified sequence 1


(Homo sapiens (human))		BDBM403155
PNG
(US10329303, Example 16)
Show SMILES CC(C)Cn1c2sc(Cc3c(C)n[nH]c3C)c(-c3ccc(F)c(CO)c3)c2c(=O)n(C2CC2)c1=O
Show InChI InChI=1S/C26H29FN4O3S/c1-13(2)11-30-25-23(24(33)31(26(30)34)18-6-7-18)22(16-5-8-20(27)17(9-16)12-32)21(35-25)10-19-14(3)28-29-15(19)4/h5,8-9,13,18,32H,6-7,10-12H2,1-4H3,(H,28,29)
PDB

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PC cid
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UniChem
US Patent
n/an/an/an/a 220n/an/an/an/a



The Scripps Research Institute

US Patent


Assay Description
pecific Examples 1-52 of compounds of the invention, with estimated EC50 values determined using an MTT assay for 4-day viability of Raji (Burkitt...

US Patent US10329303 (2019)

More data for this
Ligand-Target Pair
Malignant T-cell-amplified sequence 1


(Homo sapiens (human))		BDBM403188
PNG
(US10329303, Example 21)
Show SMILES CC(C)Cn1c2sc(Cc3c(C)n[nH]c3C)c(-c3ccc(F)c(CO)c3F)c2c(=O)n(C2CC2)c1=O
Show InChI InChI=1S/C26H28F2N4O3S/c1-12(2)10-31-25-22(24(34)32(26(31)35)15-5-6-15)21(16-7-8-19(27)18(11-33)23(16)28)20(36-25)9-17-13(3)29-30-14(17)4/h7-8,12,15,33H,5-6,9-11H2,1-4H3,(H,29,30)
PDB

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PC cid
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UniChem
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n/an/an/an/a<20n/an/an/an/a



The Scripps Research Institute

US Patent


Assay Description
pecific Examples 1-52 of compounds of the invention, with estimated EC50 values determined using an MTT assay for 4-day viability of Raji (Burkitt...

US Patent US10329303 (2019)

More data for this
Ligand-Target Pair
Malignant T-cell-amplified sequence 1


(Homo sapiens (human))		BDBM403224
PNG
(US10329303, Example 23)
Show SMILES CC(C)Cn1c2sc(Cc3c(C)n[nH]c3C)c(-c3ccnc(CO)c3)c2c(=O)n(C2CC2)c1=O
Show InChI InChI=1S/C25H29N5O3S/c1-13(2)11-29-24-22(23(32)30(25(29)33)18-5-6-18)21(16-7-8-26-17(9-16)12-31)20(34-24)10-19-14(3)27-28-15(19)4/h7-9,13,18,31H,5-6,10-12H2,1-4H3,(H,27,28)
PDB

UniProtKB/SwissProt

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PC cid
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UniChem
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n/an/an/an/a<20n/an/an/an/a



The Scripps Research Institute

US Patent


Assay Description
pecific Examples 1-52 of compounds of the invention, with estimated EC50 values determined using an MTT assay for 4-day viability of Raji (Burkitt...

US Patent US10329303 (2019)

More data for this
Ligand-Target Pair
Malignant T-cell-amplified sequence 1


(Homo sapiens (human))		BDBM403226
PNG
(US10329303, Example 25)
Show SMILES CC(C)Cc1nn(C)c(=O)c2c(-c3ncc(CO)s3)n(Cc3cccc4ccccc34)cc12
Show InChI InChI=1S/C26H26N4O2S/c1-16(2)11-22-21-14-30(13-18-9-6-8-17-7-4-5-10-20(17)18)24(23(21)26(32)29(3)28-22)25-27-12-19(15-31)33-25/h4-10,12,14,16,31H,11,13,15H2,1-3H3
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n/an/an/an/a 300n/an/an/an/a



The Scripps Research Institute

US Patent


Assay Description
pecific Examples 1-52 of compounds of the invention, with estimated EC50 values determined using an MTT assay for 4-day viability of Raji (Burkitt...

US Patent US10329303 (2019)

More data for this
Ligand-Target Pair
Malignant T-cell-amplified sequence 1


(Homo sapiens (human))		BDBM403239
PNG
(US10329303, Example 38)
Show SMILES CC(C)Cc1nn(C)c(=O)c2c(-c3csc(c3)C(O)C(F)(F)F)n(Cc3cccc4ccccc34)cc12
Show InChI InChI=1S/C28H26F3N3O2S/c1-16(2)11-22-21-14-34(13-18-9-6-8-17-7-4-5-10-20(17)18)25(24(21)27(36)33(3)32-22)19-12-23(37-15-19)26(35)28(29,30)31/h4-10,12,14-16,26,35H,11,13H2,1-3H3
PDB

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PC cid
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UniChem
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n/an/an/an/a<20n/an/an/an/a



The Scripps Research Institute

US Patent


Assay Description
pecific Examples 1-52 of compounds of the invention, with estimated EC50 values determined using an MTT assay for 4-day viability of Raji (Burkitt...

US Patent US10329303 (2019)

More data for this
Ligand-Target Pair
Malignant T-cell-amplified sequence 1


(Homo sapiens (human))		BDBM403095
PNG
(US10329303, Example 11)
Show SMILES CC(C)Cn1c2sc(Cc3c(C)n[nH]c3C)c(-c3cc(F)cc(CO)c3)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C24H27FN4O3S/c1-12(2)10-29-23-21(22(31)28(5)24(29)32)20(16-6-15(11-30)7-17(25)8-16)19(33-23)9-18-13(3)26-27-14(18)4/h6-8,12,30H,9-11H2,1-5H3,(H,26,27)
PDB

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PC cid
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UniChem
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n/an/an/an/a 25n/an/an/an/a



The Scripps Research Institute

US Patent


Assay Description
pecific Examples 1-52 of compounds of the invention, with estimated EC50 values determined using an MTT assay for 4-day viability of Raji (Burkitt...

US Patent US10329303 (2019)

More data for this
Ligand-Target Pair
Malignant T-cell-amplified sequence 1


(Homo sapiens (human))		BDBM403234
PNG
(US10329303, Example 33)
Show SMILES CC(C)Cc1nn(C)c(=O)c2c(-c3csc(c3)C(C)O)n(Cc3cccc4ccccc34)cc12
Show InChI InChI=1S/C28H29N3O2S/c1-17(2)12-24-23-15-31(14-20-10-7-9-19-8-5-6-11-22(19)20)27(26(23)28(33)30(4)29-24)21-13-25(18(3)32)34-16-21/h5-11,13,15-18,32H,12,14H2,1-4H3
PDB

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PC cid
PC sid
UniChem
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n/an/an/an/a 70n/an/an/an/a



The Scripps Research Institute

US Patent


Assay Description
pecific Examples 1-52 of compounds of the invention, with estimated EC50 values determined using an MTT assay for 4-day viability of Raji (Burkitt...

US Patent US10329303 (2019)

More data for this
Ligand-Target Pair
Malignant T-cell-amplified sequence 1


(Homo sapiens (human))		BDBM403245
PNG
(US10329303, Example 44)
Show SMILES CC(C)Cc1nn(C)c(=O)c2c(-c3cc(CO)ccc3F)n(Cc3c(C)n[nH]c3C)cc12
Show InChI InChI=1S/C24H28FN5O2/c1-13(2)8-21-19-11-30(10-18-14(3)26-27-15(18)4)23(22(19)24(32)29(5)28-21)17-9-16(12-31)6-7-20(17)25/h6-7,9,11,13,31H,8,10,12H2,1-5H3,(H,26,27)
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PC cid
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UniChem
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n/an/an/an/a 200n/an/an/an/a



The Scripps Research Institute

US Patent


Assay Description
pecific Examples 1-52 of compounds of the invention, with estimated EC50 values determined using an MTT assay for 4-day viability of Raji (Burkitt...

US Patent US10329303 (2019)

More data for this
Ligand-Target Pair
Malignant T-cell-amplified sequence 1


(Homo sapiens (human))		BDBM403246
PNG
(US10329303, Example 45)
Show SMILES CC(C)Cc1nn(C)c(=O)c2c(-c3cccc(c3)C(O)C(F)(F)F)n(Cc3c(C)n[nH]c3C)cc12
Show InChI InChI=1/C25H28F3N5O2/c1-13(2)9-20-19-12-33(11-18-14(3)29-30-15(18)4)22(21(19)24(35)32(5)31-20)16-7-6-8-17(10-16)23(34)25(26,27)28/h6-8,10,12-13,23,34H,9,11H2,1-5H3,(H,29,30)
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/an/an/a<20n/an/an/an/a



The Scripps Research Institute

US Patent


Assay Description
pecific Examples 1-52 of compounds of the invention, with estimated EC50 values determined using an MTT assay for 4-day viability of Raji (Burkitt...

US Patent US10329303 (2019)

More data for this
Ligand-Target Pair
Malignant T-cell-amplified sequence 1


(Homo sapiens (human))		BDBM403252
PNG
(US10329303, Example 51)
Show SMILES CC(C)Cc1nn(C)c(=O)c2c(-c3cccc(CO)c3)n(Cc3cc(NCNC(C)=O)nc4ccccc34)cc12
Show InChI InChI=1S/C31H34N6O3/c1-19(2)12-27-25-16-37(30(29(25)31(40)36(4)35-27)22-9-7-8-21(13-22)17-38)15-23-14-28(33-18-32-20(3)39)34-26-11-6-5-10-24(23)26/h5-11,13-14,16,19,38H,12,15,17-18H2,1-4H3,(H,32,39)(H,33,34)
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/an/an/a<20n/an/an/an/a



The Scripps Research Institute

US Patent


Assay Description
pecific Examples 1-52 of compounds of the invention, with estimated EC50 values determined using an MTT assay for 4-day viability of Raji (Burkitt...

US Patent US10329303 (2019)

More data for this
Ligand-Target Pair
Malignant T-cell-amplified sequence 1


(Homo sapiens (human))		BDBM403182
PNG
(US10329303, Example 19)
Show SMILES CC(C)Cn1c2sc(Cc3c(C)n[nH]c3C)c(-c3cc(CO)c(F)cc3F)c2c(=O)n(C2CC2)c1=O
Show InChI InChI=1S/C26H28F2N4O3S/c1-12(2)10-31-25-23(24(34)32(26(31)35)16-5-6-16)22(18-7-15(11-33)19(27)9-20(18)28)21(36-25)8-17-13(3)29-30-14(17)4/h7,9,12,16,33H,5-6,8,10-11H2,1-4H3,(H,29,30)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 70n/an/an/an/a



The Scripps Research Institute

US Patent


Assay Description
pecific Examples 1-52 of compounds of the invention, with estimated EC50 values determined using an MTT assay for 4-day viability of Raji (Burkitt...

US Patent US10329303 (2019)

More data for this
Ligand-Target Pair
Malignant T-cell-amplified sequence 1


(Homo sapiens (human))		BDBM403184
PNG
(US10329303, Example 20)
Show SMILES CC(C)Cn1c2sc(Cc3c(C)n[nH]c3C)c(-c3cccc(CO)c3F)c2c(=O)n(C2CC2)c1=O
Show InChI InChI=1S/C26H29FN4O3S/c1-13(2)11-30-25-22(24(33)31(26(30)34)17-8-9-17)21(18-7-5-6-16(12-32)23(18)27)20(35-25)10-19-14(3)28-29-15(19)4/h5-7,13,17,32H,8-12H2,1-4H3,(H,28,29)
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The Scripps Research Institute

US Patent


Assay Description
pecific Examples 1-52 of compounds of the invention, with estimated EC50 values determined using an MTT assay for 4-day viability of Raji (Burkitt...

US Patent US10329303 (2019)

More data for this
Ligand-Target Pair
Malignant T-cell-amplified sequence 1


(Homo sapiens (human))		BDBM403231
PNG
(US10329303, Example 30)
Show SMILES CC(C)Cc1nn(C)c(=O)c2c(-c3cc(CO)ccc3Cl)n(Cc3cccc4ccccc34)cc12
Show InChI InChI=1S/C29H28ClN3O2/c1-18(2)13-26-24-16-33(15-21-9-6-8-20-7-4-5-10-22(20)21)28(27(24)29(35)32(3)31-26)23-14-19(17-34)11-12-25(23)30/h4-12,14,16,18,34H,13,15,17H2,1-3H3
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The Scripps Research Institute

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Assay Description
pecific Examples 1-52 of compounds of the invention, with estimated EC50 values determined using an MTT assay for 4-day viability of Raji (Burkitt...

US Patent US10329303 (2019)

More data for this
Ligand-Target Pair
Malignant T-cell-amplified sequence 1


(Homo sapiens (human))		BDBM403237
PNG
(US10329303, Example 36)
Show SMILES CC(C)Cc1nn(C)c(=O)c2c(-c3cccc(c3)C(C)O)n(Cc3cccc4ccccc34)cc12
Show InChI InChI=1S/C30H31N3O2/c1-19(2)15-27-26-18-33(17-24-13-7-10-21-9-5-6-14-25(21)24)29(28(26)30(35)32(4)31-27)23-12-8-11-22(16-23)20(3)34/h5-14,16,18-20,34H,15,17H2,1-4H3
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The Scripps Research Institute

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Assay Description
pecific Examples 1-52 of compounds of the invention, with estimated EC50 values determined using an MTT assay for 4-day viability of Raji (Burkitt...

US Patent US10329303 (2019)

More data for this
Ligand-Target Pair
Malignant T-cell-amplified sequence 1


(Homo sapiens (human))		BDBM403248
PNG
(US10329303, Example 47)
Show SMILES CC(C)Cc1nn(C)c(=O)c2c(-c3cccc(CO)c3)n(Cc3cnc(Cl)c4ccccc34)cc12
Show InChI InChI=1S/C28H27ClN4O2/c1-17(2)11-24-23-15-33(14-20-13-30-27(29)22-10-5-4-9-21(20)22)26(25(23)28(35)32(3)31-24)19-8-6-7-18(12-19)16-34/h4-10,12-13,15,17,34H,11,14,16H2,1-3H3
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n/an/an/an/a 5.50E+3n/an/an/an/a



The Scripps Research Institute

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Assay Description
pecific Examples 1-52 of compounds of the invention, with estimated EC50 values determined using an MTT assay for 4-day viability of Raji (Burkitt...

US Patent US10329303 (2019)

More data for this
Ligand-Target Pair
Malignant T-cell-amplified sequence 1


(Homo sapiens (human))		BDBM402882
PNG
(US10329303, Example 2)
Show SMILES CC(C)Cn1c2sc(Cc3c(C)n[nH]c3C)c(-c3cc(C)cc(CO)c3F)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C25H29FN4O3S/c1-12(2)10-30-24-21(23(32)29(6)25(30)33)20(18-8-13(3)7-16(11-31)22(18)26)19(34-24)9-17-14(4)27-28-15(17)5/h7-8,12,31H,9-11H2,1-6H3,(H,27,28)
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The Scripps Research Institute

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Assay Description
pecific Examples 1-52 of compounds of the invention, with estimated EC50 values determined using an MTT assay for 4-day viability of Raji (Burkitt...

US Patent US10329303 (2019)

More data for this
Ligand-Target Pair
Malignant T-cell-amplified sequence 1


(Homo sapiens (human))		BDBM402974
PNG
(US10329303, Example 3)
Show SMILES CC(C)Cn1c2sc(Cc3c(C)n[nH]c3C)c(-c3c(F)cc(F)c(CO)c3F)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C24H25F3N4O3S/c1-10(2)8-31-23-20(22(33)30(5)24(31)34)19(17(35-23)6-13-11(3)28-29-12(13)4)18-16(26)7-15(25)14(9-32)21(18)27/h7,10,32H,6,8-9H2,1-5H3,(H,28,29)
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The Scripps Research Institute

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Assay Description
pecific Examples 1-52 of compounds of the invention, with estimated EC50 values determined using an MTT assay for 4-day viability of Raji (Burkitt...

US Patent US10329303 (2019)

More data for this
Ligand-Target Pair
Malignant T-cell-amplified sequence 1


(Homo sapiens (human))		BDBM403040
PNG
(US10329303, Example 6)
Show SMILES CC(C)Cn1c2sc(Cc3c(C)n[nH]c3C)c(-c3cc(CO)c(F)cc3F)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C24H26F2N4O3S/c1-11(2)9-30-23-21(22(32)29(5)24(30)33)20(16-6-14(10-31)17(25)8-18(16)26)19(34-23)7-15-12(3)27-28-13(15)4/h6,8,11,31H,7,9-10H2,1-5H3,(H,27,28)
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The Scripps Research Institute

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Assay Description
pecific Examples 1-52 of compounds of the invention, with estimated EC50 values determined using an MTT assay for 4-day viability of Raji (Burkitt...

US Patent US10329303 (2019)

More data for this
Ligand-Target Pair
Malignant T-cell-amplified sequence 1


(Homo sapiens (human))		BDBM403118
PNG
(US10329303, Example 14)
Show SMILES CC(C)Cn1c2sc(Cc3c(C)n[nH]c3C)c(-c3cccc(c3)C(O)C(F)(F)F)c2c(=O)n(C)c1=O
Show InChI InChI=1/C25H27F3N4O3S/c1-12(2)11-32-23-20(22(34)31(5)24(32)35)19(18(36-23)10-17-13(3)29-30-14(17)4)15-7-6-8-16(9-15)21(33)25(26,27)28/h6-9,12,21,33H,10-11H2,1-5H3,(H,29,30)
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The Scripps Research Institute

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Assay Description
pecific Examples 1-52 of compounds of the invention, with estimated EC50 values determined using an MTT assay for 4-day viability of Raji (Burkitt...

US Patent US10329303 (2019)

More data for this
Ligand-Target Pair
Malignant T-cell-amplified sequence 1


(Homo sapiens (human))		BDBM403228
PNG
(US10329303, Example 27)
Show SMILES CC(C)Cc1nn(C)c(=O)c2c(-c3ccc(F)c(CO)c3F)n(Cc3cccc4ccccc34)cc12
Show InChI InChI=1S/C29H27F2N3O2/c1-17(2)13-25-22-15-34(14-19-9-6-8-18-7-4-5-10-20(18)19)28(26(22)29(36)33(3)32-25)21-11-12-24(30)23(16-35)27(21)31/h4-12,15,17,35H,13-14,16H2,1-3H3
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The Scripps Research Institute

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Assay Description
pecific Examples 1-52 of compounds of the invention, with estimated EC50 values determined using an MTT assay for 4-day viability of Raji (Burkitt...

US Patent US10329303 (2019)

More data for this
Ligand-Target Pair
Malignant T-cell-amplified sequence 1


(Homo sapiens (human))		BDBM403233
PNG
(US10329303, Example 32)
Show SMILES CC(C)Cc1nn(C)c(=O)c2c(-c3cncc(CO)c3)n(Cc3cccc4ccccc34)cc12
Show InChI InChI=1S/C28H28N4O2/c1-18(2)11-25-24-16-32(15-21-9-6-8-20-7-4-5-10-23(20)21)27(26(24)28(34)31(3)30-25)22-12-19(17-33)13-29-14-22/h4-10,12-14,16,18,33H,11,15,17H2,1-3H3
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The Scripps Research Institute

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Assay Description
pecific Examples 1-52 of compounds of the invention, with estimated EC50 values determined using an MTT assay for 4-day viability of Raji (Burkitt...

US Patent US10329303 (2019)

More data for this
Ligand-Target Pair
Malignant T-cell-amplified sequence 1


(Homo sapiens (human))		BDBM403238
PNG
(US10329303, Example 37)
Show SMILES CC(C)Cc1nn(C)c(=O)c2c(-c3csc(n3)C(O)C(F)(F)F)n(Cc3cccc4ccccc34)cc12
Show InChI InChI=1S/C27H25F3N4O2S/c1-15(2)11-20-19-13-34(12-17-9-6-8-16-7-4-5-10-18(16)17)23(22(19)26(36)33(3)32-20)21-14-37-25(31-21)24(35)27(28,29)30/h4-10,13-15,24,35H,11-12H2,1-3H3
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The Scripps Research Institute

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Assay Description
pecific Examples 1-52 of compounds of the invention, with estimated EC50 values determined using an MTT assay for 4-day viability of Raji (Burkitt...

US Patent US10329303 (2019)

More data for this
Ligand-Target Pair
Malignant T-cell-amplified sequence 1


(Homo sapiens (human))		BDBM403241
PNG
(US10329303, Example 40)
Show SMILES CC(C)Cc1nn(C)c(=O)c2c(-c3cccc(c3)C(O)C(F)(F)F)n(Cc3cccc4ccccc34)cc12
Show InChI InChI=1S/C30H28F3N3O2/c1-18(2)14-25-24-17-36(16-22-12-6-9-19-8-4-5-13-23(19)22)27(26(24)29(38)35(3)34-25)20-10-7-11-21(15-20)28(37)30(31,32)33/h4-13,15,17-18,28,37H,14,16H2,1-3H3
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The Scripps Research Institute

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Assay Description
pecific Examples 1-52 of compounds of the invention, with estimated EC50 values determined using an MTT assay for 4-day viability of Raji (Burkitt...

US Patent US10329303 (2019)

More data for this
Ligand-Target Pair
Malignant T-cell-amplified sequence 1


(Homo sapiens (human))		BDBM403242
PNG
(US10329303, Example 41)
Show SMILES CC(C)Cc1nn(C)c(=O)c2c(-c3cc(CO)ccc3F)n(Cc3ccc(cc3)-c3ccccc3)cc12
Show InChI InChI=1S/C31H30FN3O2/c1-20(2)15-28-26-18-35(17-21-9-12-24(13-10-21)23-7-5-4-6-8-23)30(29(26)31(37)34(3)33-28)25-16-22(19-36)11-14-27(25)32/h4-14,16,18,20,36H,15,17,19H2,1-3H3
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The Scripps Research Institute

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Assay Description
pecific Examples 1-52 of compounds of the invention, with estimated EC50 values determined using an MTT assay for 4-day viability of Raji (Burkitt...

US Patent US10329303 (2019)

More data for this
Ligand-Target Pair
Malignant T-cell-amplified sequence 1


(Homo sapiens (human))		BDBM403247
PNG
(US10329303, Example 46)
Show SMILES CC(C)Cc1nn(C)c(=O)c2c(-c3cccc(CO)c3)n(Cc3cc(Cl)nc4ccccc34)cc12
Show InChI InChI=1S/C28H27ClN4O2/c1-17(2)11-24-22-15-33(14-20-13-25(29)30-23-10-5-4-9-21(20)23)27(26(22)28(35)32(3)31-24)19-8-6-7-18(12-19)16-34/h4-10,12-13,15,17,34H,11,14,16H2,1-3H3
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The Scripps Research Institute

US Patent


Assay Description
pecific Examples 1-52 of compounds of the invention, with estimated EC50 values determined using an MTT assay for 4-day viability of Raji (Burkitt...

US Patent US10329303 (2019)

More data for this
Ligand-Target Pair
Malignant T-cell-amplified sequence 1


(Homo sapiens (human))		BDBM403249
PNG
(US10329303, Example 48)
Show SMILES CC(C)Cc1nn(C)c(=O)c2c(-c3cccc(CO)c3)n(CCOc3ccccc3Cl)cc12
Show InChI InChI=1S/C26H28ClN3O3/c1-17(2)13-22-20-15-30(11-12-33-23-10-5-4-9-21(23)27)25(24(20)26(32)29(3)28-22)19-8-6-7-18(14-19)16-31/h4-10,14-15,17,31H,11-13,16H2,1-3H3
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The Scripps Research Institute

US Patent


Assay Description
pecific Examples 1-52 of compounds of the invention, with estimated EC50 values determined using an MTT assay for 4-day viability of Raji (Burkitt...

US Patent US10329303 (2019)

More data for this
Ligand-Target Pair
Malignant T-cell-amplified sequence 1


(Homo sapiens (human))		BDBM403059
PNG
(US10329303, Example 8)
Show SMILES CC(C)Cn1c2sc(Cc3c(C)n[nH]c3C)c(-c3cncc(c3)C(O)C(F)(F)F)c2c(=O)n(C)c1=O
Show InChI InChI=1/C24H26F3N5O3S/c1-11(2)10-32-22-19(21(34)31(5)23(32)35)18(17(36-22)7-16-12(3)29-30-13(16)4)14-6-15(9-28-8-14)20(33)24(25,26)27/h6,8-9,11,20,33H,7,10H2,1-5H3,(H,29,30)
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The Scripps Research Institute

US Patent


Assay Description
pecific Examples 1-52 of compounds of the invention, with estimated EC50 values determined using an MTT assay for 4-day viability of Raji (Burkitt...

US Patent US10329303 (2019)

More data for this
Ligand-Target Pair
Malignant T-cell-amplified sequence 1


(Homo sapiens (human))		BDBM403181
PNG
(US10329303, Example 18)
Show SMILES CC(C)Cn1c2sc(Cc3c(C)n[nH]c3C)c(-c3cc(F)c(F)c(CO)c3)c2c(=O)n(C2CC2)c1=O
Show InChI InChI=1S/C26H28F2N4O3S/c1-12(2)10-31-25-22(24(34)32(26(31)35)17-5-6-17)21(15-7-16(11-33)23(28)19(27)8-15)20(36-25)9-18-13(3)29-30-14(18)4/h7-8,12,17,33H,5-6,9-11H2,1-4H3,(H,29,30)
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The Scripps Research Institute

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Assay Description
pecific Examples 1-52 of compounds of the invention, with estimated EC50 values determined using an MTT assay for 4-day viability of Raji (Burkitt...

US Patent US10329303 (2019)

More data for this
Ligand-Target Pair
Malignant T-cell-amplified sequence 1


(Homo sapiens (human))		BDBM403230
PNG
(US10329303, Example 29)
Show SMILES CC(C)Cc1nn(C)c(=O)c2c(-c3cccc(CO)c3F)n(Cc3cccc4ccccc34)cc12
Show InChI InChI=1S/C29H28FN3O2/c1-18(2)14-25-24-16-33(15-20-10-6-9-19-8-4-5-12-22(19)20)28(26(24)29(35)32(3)31-25)23-13-7-11-21(17-34)27(23)30/h4-13,16,18,34H,14-15,17H2,1-3H3
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The Scripps Research Institute

US Patent


Assay Description
pecific Examples 1-52 of compounds of the invention, with estimated EC50 values determined using an MTT assay for 4-day viability of Raji (Burkitt...

US Patent US10329303 (2019)

More data for this
Ligand-Target Pair
Malignant T-cell-amplified sequence 1


(Homo sapiens (human))		BDBM403253
PNG
(US10329303, Example 52)
Show SMILES CC(C)Cc1nn(C)c(=O)c2c(-c3cccc(CO)c3)n(Cc3cc(NCNC(=O)C(N)CCC(N)=O)nc4ccccc34)cc12
Show InChI InChI=1S/C34H40N8O4/c1-20(2)13-28-25-17-42(32(31(25)34(46)41(3)40-28)22-8-6-7-21(14-22)18-43)16-23-15-30(39-27-10-5-4-9-24(23)27)37-19-38-33(45)26(35)11-12-29(36)44/h4-10,14-15,17,20,26,43H,11-13,16,18-19,35H2,1-3H3,(H2,36,44)(H,37,39)(H,38,45)
PDB

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The Scripps Research Institute

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Assay Description
pecific Examples 1-52 of compounds of the invention, with estimated EC50 values determined using an MTT assay for 4-day viability of Raji (Burkitt...

US Patent US10329303 (2019)

More data for this
Ligand-Target Pair
Malignant T-cell-amplified sequence 1


(Homo sapiens (human))		BDBM402876
PNG
(US10329303, Example 1)
Show SMILES CC(C)Cn1c2sc(Cc3c(C)n[nH]c3C)c(-c3cccc(CO)c3F)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C24H27FN4O3S/c1-12(2)10-29-23-20(22(31)28(5)24(29)32)19(16-8-6-7-15(11-30)21(16)25)18(33-23)9-17-13(3)26-27-14(17)4/h6-8,12,30H,9-11H2,1-5H3,(H,26,27)
PDB

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The Scripps Research Institute

US Patent


Assay Description
pecific Examples 1-52 of compounds of the invention, with estimated EC50 values determined using an MTT assay for 4-day viability of Raji (Burkitt...

US Patent US10329303 (2019)

More data for this
Ligand-Target Pair
Malignant T-cell-amplified sequence 1


(Homo sapiens (human))		BDBM403041
PNG
(US10329303, Example 7)
Show SMILES CC(C)Cn1c2sc(Cc3c(C)n[nH]c3C)c(-c3ccc(F)c(CO)c3F)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C24H26F2N4O3S/c1-11(2)9-30-23-20(22(32)29(5)24(30)33)19(14-6-7-17(25)16(10-31)21(14)26)18(34-23)8-15-12(3)27-28-13(15)4/h6-7,11,31H,8-10H2,1-5H3,(H,27,28)
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The Scripps Research Institute

US Patent


Assay Description
pecific Examples 1-52 of compounds of the invention, with estimated EC50 values determined using an MTT assay for 4-day viability of Raji (Burkitt...

US Patent US10329303 (2019)

More data for this
Ligand-Target Pair
Malignant T-cell-amplified sequence 1


(Homo sapiens (human))		BDBM403142
PNG
(US10329303, Example 15)
Show SMILES CC(C)Cn1c2sc(Cc3c(C)n[nH]c3C)c(-c3cccc(CO)c3)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C24H28N4O3S/c1-13(2)11-28-23-21(22(30)27(5)24(28)31)20(17-8-6-7-16(9-17)12-29)19(32-23)10-18-14(3)25-26-15(18)4/h6-9,13,29H,10-12H2,1-5H3,(H,25,26)
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n/an/an/an/a<20n/an/an/an/a



The Scripps Research Institute

US Patent


Assay Description
pecific Examples 1-52 of compounds of the invention, with estimated EC50 values determined using an MTT assay for 4-day viability of Raji (Burkitt...

US Patent US10329303 (2019)

More data for this
Ligand-Target Pair
Malignant T-cell-amplified sequence 1


(Homo sapiens (human))		BDBM403158
PNG
(US10329303, Example 17)
Show SMILES CC(C)Cn1c2sc(Cc3c(C)n[nH]c3C)c(-c3cc(C)cc(CO)c3F)c2c(=O)n(C2CC2)c1=O
Show InChI InChI=1S/C27H31FN4O3S/c1-13(2)11-31-26-23(25(34)32(27(31)35)18-6-7-18)22(20-9-14(3)8-17(12-33)24(20)28)21(36-26)10-19-15(4)29-30-16(19)5/h8-9,13,18,33H,6-7,10-12H2,1-5H3,(H,29,30)
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UniChem
US Patent
n/an/an/an/a 100n/an/an/an/a



The Scripps Research Institute

US Patent


Assay Description
pecific Examples 1-52 of compounds of the invention, with estimated EC50 values determined using an MTT assay for 4-day viability of Raji (Burkitt...

US Patent US10329303 (2019)

More data for this
Ligand-Target Pair
Malignant T-cell-amplified sequence 1


(Homo sapiens (human))		BDBM403235
PNG
(US10329303, Example 34)
Show SMILES CC(C)Cc1nn(C)c(=O)c2c(-c3cccc(n3)C(C)O)n(Cc3cccc4ccccc34)cc12
Show InChI InChI=1S/C29H30N4O2/c1-18(2)15-26-23-17-33(16-21-11-7-10-20-9-5-6-12-22(20)21)28(27(23)29(35)32(4)31-26)25-14-8-13-24(30-25)19(3)34/h5-14,17-19,34H,15-16H2,1-4H3
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UniChem
US Patent
n/an/an/an/a 1n/an/an/an/a



The Scripps Research Institute

US Patent


Assay Description
pecific Examples 1-52 of compounds of the invention, with estimated EC50 values determined using an MTT assay for 4-day viability of Raji (Burkitt...

US Patent US10329303 (2019)

More data for this
Ligand-Target Pair
Malignant T-cell-amplified sequence 1


(Homo sapiens (human))		BDBM403250
PNG
(US10329303, Example 49)
Show SMILES CC(C)Cc1nn(C)c(=O)c2c(-c3cccc(CO)c3)n(Cc3cc(NCN)nc4ccccc34)cc12
Show InChI InChI=1S/C29H32N6O2/c1-18(2)11-25-23-15-35(14-21-13-26(31-17-30)32-24-10-5-4-9-22(21)24)28(27(23)29(37)34(3)33-25)20-8-6-7-19(12-20)16-36/h4-10,12-13,15,18,36H,11,14,16-17,30H2,1-3H3,(H,31,32)
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US Patent
n/an/an/an/a 5.50E+3n/an/an/an/a



The Scripps Research Institute

US Patent


Assay Description
pecific Examples 1-52 of compounds of the invention, with estimated EC50 values determined using an MTT assay for 4-day viability of Raji (Burkitt...

US Patent US10329303 (2019)

More data for this
Ligand-Target Pair
Malignant T-cell-amplified sequence 1


(Homo sapiens (human))		BDBM403025
PNG
(US10329303, Example 5)
Show SMILES CC(C)Cn1c2sc(Cc3c(C)n[nH]c3C)c(-c3cc(F)c(F)c(CO)c3)c2c(=O)n(C)c1=O
Show InChI InChI=1S/C24H26F2N4O3S/c1-11(2)9-30-23-20(22(32)29(5)24(30)33)19(14-6-15(10-31)21(26)17(25)7-14)18(34-23)8-16-12(3)27-28-13(16)4/h6-7,11,31H,8-10H2,1-5H3,(H,27,28)
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n/an/an/an/a 160n/an/an/an/a



The Scripps Research Institute

US Patent


Assay Description
pecific Examples 1-52 of compounds of the invention, with estimated EC50 values determined using an MTT assay for 4-day viability of Raji (Burkitt...

US Patent US10329303 (2019)

More data for this
Ligand-Target Pair
Malignant T-cell-amplified sequence 1


(Homo sapiens (human))		BDBM403218
PNG
(US10329303, Example 22)
Show SMILES CC(C)Cn1c2sc(Cc3c(C)n[nH]c3C)c(-c3cc(CO)ccc3F)c2c(=O)n(C2CC2)c1=O
Show InChI InChI=1S/C26H29FN4O3S/c1-13(2)11-30-25-23(24(33)31(26(30)34)17-6-7-17)22(19-9-16(12-32)5-8-20(19)27)21(35-25)10-18-14(3)28-29-15(18)4/h5,8-9,13,17,32H,6-7,10-12H2,1-4H3,(H,28,29)
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US Patent
n/an/an/an/a<20n/an/an/an/a



The Scripps Research Institute

US Patent


Assay Description
pecific Examples 1-52 of compounds of the invention, with estimated EC50 values determined using an MTT assay for 4-day viability of Raji (Burkitt...

US Patent US10329303 (2019)

More data for this
Ligand-Target Pair
Malignant T-cell-amplified sequence 1


(Homo sapiens (human))		BDBM403227
PNG
(US10329303, Example 26)
Show SMILES CC(C)Cc1nn(C)c(=O)c2c(-c3csc(CO)n3)n(Cc3cccc4ccccc34)cc12
Show InChI InChI=1S/C26H26N4O2S/c1-16(2)11-21-20-13-30(12-18-9-6-8-17-7-4-5-10-19(17)18)25(22-15-33-23(14-31)27-22)24(20)26(32)29(3)28-21/h4-10,13,15-16,31H,11-12,14H2,1-3H3
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n/an/an/an/a 90n/an/an/an/a



The Scripps Research Institute

US Patent


Assay Description
pecific Examples 1-52 of compounds of the invention, with estimated EC50 values determined using an MTT assay for 4-day viability of Raji (Burkitt...

US Patent US10329303 (2019)

More data for this
Ligand-Target Pair
Malignant T-cell-amplified sequence 1


(Homo sapiens (human))		BDBM403232
PNG
(US10329303, Example 31)
Show SMILES CC(C)Cc1nn(C)c(=O)c2c(-c3cccc(CO)c3)n(Cc3cccc4ccccc34)cc12
Show InChI InChI=1S/C29H29N3O2/c1-19(2)14-26-25-17-32(16-23-12-7-10-21-9-4-5-13-24(21)23)28(27(25)29(34)31(3)30-26)22-11-6-8-20(15-22)18-33/h4-13,15,17,19,33H,14,16,18H2,1-3H3
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US Patent
n/an/an/an/a 100n/an/an/an/a



The Scripps Research Institute

US Patent


Assay Description
pecific Examples 1-52 of compounds of the invention, with estimated EC50 values determined using an MTT assay for 4-day viability of Raji (Burkitt...

US Patent US10329303 (2019)

More data for this
Ligand-Target Pair
Malignant T-cell-amplified sequence 1


(Homo sapiens (human))		BDBM403236
PNG
(US10329303, Example 35)
Show SMILES CC(C)Cc1nn(C)c(=O)c2c(-c3cc(ccc3F)C(C)O)n(Cc3cccc4ccccc34)cc12
Show InChI InChI=1S/C30H30FN3O2/c1-18(2)14-27-25-17-34(16-22-10-7-9-20-8-5-6-11-23(20)22)29(28(25)30(36)33(4)32-27)24-15-21(19(3)35)12-13-26(24)31/h5-13,15,17-19,35H,14,16H2,1-4H3
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UniChem
US Patent
n/an/an/an/a 80n/an/an/an/a



The Scripps Research Institute

US Patent


Assay Description
pecific Examples 1-52 of compounds of the invention, with estimated EC50 values determined using an MTT assay for 4-day viability of Raji (Burkitt...

US Patent US10329303 (2019)

More data for this
Ligand-Target Pair
Malignant T-cell-amplified sequence 1


(Homo sapiens (human))		BDBM403111
PNG
(US10329303, Example 13)
Show SMILES CC(C)Cn1c2sc(Cc3c(C)n[nH]c3C)c(-c3cccc(c3)C(C)O)c2c(=O)n(C)c1=O
Show InChI InChI=1/C25H30N4O3S/c1-13(2)12-29-24-22(23(31)28(6)25(29)32)21(18-9-7-8-17(10-18)16(5)30)20(33-24)11-19-14(3)26-27-15(19)4/h7-10,13,16,30H,11-12H2,1-6H3,(H,26,27)
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US Patent
n/an/an/an/a 50n/an/an/an/a



The Scripps Research Institute

US Patent


Assay Description
pecific Examples 1-52 of compounds of the invention, with estimated EC50 values determined using an MTT assay for 4-day viability of Raji (Burkitt...

US Patent US10329303 (2019)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%