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Patent code US10392376

Compile Data Set for Download or QSAR
Found 131 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
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
ATR/ATRIP


(Homo sapiens (Human))
BDBM411480
PNG
(US10392376, Example 40a | US10392376, Example 40b ...)
Show SMILES C[C@@H]1COCCN1c1cc(N=[S@](C)(=O)C2CC2)nc(n1)-n1cnc2ccccc12
Show InChI InChI=1S/C20H24N6O2S/c1-14-12-28-10-9-25(14)19-11-18(24-29(2,27)15-7-8-15)22-20(23-19)26-13-21-16-5-3-4-6-17(16)26/h3-6,11,13-15H,7-10,12H2,1-2H3/t14-,29-/m1/s1
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n/an/a 0.300n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu...


US Patent US10392376 (2019)


BindingDB Entry DOI: 10.7270/Q2H70J60
More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM411535
PNG
((R)-((2-(2-(difluoro- methyl)-1H-benzo[d]- imidazo...)
Show SMILES C[C@@H]1COCCN1c1cc(N=S(C)(C)=O)nc(n1)-n1c([H]C(F)F)nc2ccccc12
Show InChI InChI=1S/C19H23F2N6O2S/c1-12-11-29-9-8-26(12)16-10-15(25-30(2,3)28)23-18(24-16)27-14-7-5-4-6-13(14)22-19(27)31-17(20)21/h4-7,10,12,17H,8-9,11H2,1-3H3/t12-/m1/s1
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n/an/a 0.400n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu...


US Patent US10392376 (2019)


BindingDB Entry DOI: 10.7270/Q2H70J60
More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM411490
PNG
(US10392376, Example 44a | US10392376, Example 44b ...)
Show SMILES C[C@@H]1COCCN1c1cc(N=[S@](C)(=O)C2CC2)nc(n1)-n1c(C)nc2ccccc12
Show InChI InChI=1S/C21H26N6O2S/c1-14-13-29-11-10-26(14)20-12-19(25-30(3,28)16-8-9-16)23-21(24-20)27-15(2)22-17-6-4-5-7-18(17)27/h4-7,12,14,16H,8-11,13H2,1-3H3/t14-,30-/m1/s1
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n/an/a 0.400n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu...


US Patent US10392376 (2019)


BindingDB Entry DOI: 10.7270/Q2H70J60
More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM411502
PNG
(US10392376, Example 53 | US10800769, Example 53)
Show SMILES C[F]c1nc2ccccc2n1-c1nc(cc(n1)N1CCOC[C@H]1C)N=S(C)(C)=O
Show InChI InChI=1S/C19H24FN6O2S/c1-13-12-28-10-9-25(13)17-11-16(24-29(3,4)27)22-19(23-17)26-15-8-6-5-7-14(15)21-18(26)20-2/h5-8,11,13H,9-10,12H2,1-4H3/t13-/m1/s1
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n/an/a 0.5n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu...


US Patent US10392376 (2019)


BindingDB Entry DOI: 10.7270/Q2H70J60
More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM411476
PNG
(US10392376, Example 38a | US10392376, Example 38b ...)
Show SMILES C[C@@H]1COCCN1c1cc(N=[S@](C)(=O)C2COC2)nc(n1)-n1cnc2ccccc12
Show InChI InChI=1S/C20H24N6O3S/c1-14-10-28-8-7-25(14)19-9-18(24-30(2,27)15-11-29-12-15)22-20(23-19)26-13-21-16-5-3-4-6-17(16)26/h3-6,9,13-15H,7-8,10-12H2,1-2H3/t14-,30-/m1/s1
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n/an/a 0.700n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu...


US Patent US10392376 (2019)


BindingDB Entry DOI: 10.7270/Q2H70J60
More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM411480
PNG
(US10392376, Example 40a | US10392376, Example 40b ...)
Show SMILES C[C@@H]1COCCN1c1cc(N=[S@](C)(=O)C2CC2)nc(n1)-n1cnc2ccccc12
Show InChI InChI=1S/C20H24N6O2S/c1-14-12-28-10-9-25(14)19-11-18(24-29(2,27)15-7-8-15)22-20(23-19)26-13-21-16-5-3-4-6-17(16)26/h3-6,11,13-15H,7-10,12H2,1-2H3/t14-,29-/m1/s1
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n/an/a 0.800n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu...


US Patent US10392376 (2019)


BindingDB Entry DOI: 10.7270/Q2H70J60
More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM411482
PNG
(US10392376, Example 41a | US10392376, Example 41b ...)
Show SMILES C[C@@H]1COCCN1c1cc(N=[S@](C)(=O)C2COC2)nc(n1)-n1c(C)nc2ccccc12
Show InChI InChI=1S/C21H26N6O3S/c1-14-11-29-9-8-26(14)20-10-19(25-31(3,28)16-12-30-13-16)23-21(24-20)27-15(2)22-17-6-4-5-7-18(17)27/h4-7,10,14,16H,8-9,11-13H2,1-3H3/t14-,31-/m1/s1
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n/an/a 0.800n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu...


US Patent US10392376 (2019)


BindingDB Entry DOI: 10.7270/Q2H70J60
More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM411544
PNG
(Cyclopropyl(methyl)((2- (2-methyl-1H-benzo[d]- imi...)
Show SMILES C[C@@H]1COCCN1c1cc(N=S(C)(=O)C2CC2)nc(n1)-n1c(C)nc2ccccc12
Show InChI InChI=1S/C21H26N6O2S/c1-14-13-29-11-10-26(14)20-12-19(25-30(3,28)16-8-9-16)23-21(24-20)27-15(2)22-17-6-4-5-7-18(17)27/h4-7,12,14,16H,8-11,13H2,1-3H3/t14-,30?/m1/s1
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n/an/a 0.900n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu...


US Patent US10392376 (2019)


BindingDB Entry DOI: 10.7270/Q2H70J60
More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM411501
PNG
(US10392376, Example 52 | US10800769, Example 52)
Show SMILES C[C@@H]1COCCN1c1cc(N=S(C)(C)=O)nc(n1)-n1c(CO)nc2ccccc12
Show InChI InChI=1S/C19H24N6O3S/c1-13-12-28-9-8-24(13)17-10-16(23-29(2,3)27)21-19(22-17)25-15-7-5-4-6-14(15)20-18(25)11-26/h4-7,10,13,26H,8-9,11-12H2,1-3H3/t13-/m1/s1
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n/an/a 0.900n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu...


US Patent US10392376 (2019)


BindingDB Entry DOI: 10.7270/Q2H70J60
More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM411494
PNG
(US10392376, Example 46a | US10392376, Example 46b ...)
Show SMILES C[C@@H]1COCCN1c1cc(N=[S@](C)(=O)C2CC2)nc(n1)-c1ccnc2[nH]ccc12
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n/an/a 1n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu...


US Patent US10392376 (2019)


BindingDB Entry DOI: 10.7270/Q2H70J60
More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM411427
PNG
(US10392376, Example 1 | US10800769, Example 1)
Show SMILES C[C@@H]1COCCN1c1cc(N=S(C)(C)=O)nc(n1)-c1ccnc2[nH]ccc12
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n/an/a 1n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu...


US Patent US10392376 (2019)


BindingDB Entry DOI: 10.7270/Q2H70J60
More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM411476
PNG
(US10392376, Example 38a | US10392376, Example 38b ...)
Show SMILES C[C@@H]1COCCN1c1cc(N=[S@](C)(=O)C2COC2)nc(n1)-n1cnc2ccccc12
Show InChI InChI=1S/C20H24N6O3S/c1-14-10-28-8-7-25(14)19-9-18(24-30(2,27)15-11-29-12-15)22-20(23-19)26-13-21-16-5-3-4-6-17(16)26/h3-6,9,13-15H,7-8,10-12H2,1-2H3/t14-,30-/m1/s1
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n/an/a 1.40n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu...


US Patent US10392376 (2019)


BindingDB Entry DOI: 10.7270/Q2H70J60
More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM411469
PNG
(US10392376, Example 31 | US10800769, Example 31)
Show SMILES C[C@@H]1COCCN1c1cc(N=S(C)(=O)C2CC2)nc(n1)-c1cncc2[nH]ccc12
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n/an/a 1.60n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu...


US Patent US10392376 (2019)


BindingDB Entry DOI: 10.7270/Q2H70J60
More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM411513
PNG
(Ethyl (R)-1-((6-(3- methylmorpholino)-2- (1H-pyrro...)
Show SMILES CCOC(=O)N1CCS(=O)(CC1)=Nc1cc(nc(n1)-c1ccnc2[nH]ccc12)N1CCOC[C@H]1C
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n/an/a 2n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu...


US Patent US10392376 (2019)


BindingDB Entry DOI: 10.7270/Q2H70J60
More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM411537
PNG
((R)-((2-(6-fluoro-1H- indol-4-yl)-6-(3- methylmorp...)
Show SMILES C[C@@H]1COCCN1c1cc(N=S(C)(C)=O)nc(n1)-c1cc(F)cc2[nH]ccc12
PDB

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n/an/a 2n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu...


US Patent US10392376 (2019)


BindingDB Entry DOI: 10.7270/Q2H70J60
More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM411520
PNG
((R)-((2-(1H- benzo[d]imidazol-1-yl)- 6-(3-methylmo...)
Show SMILES C[C@@H]1COCCN1c1cc(N=S(C)(C)=O)nc(n1)-n1cnc2ccccc12
Show InChI InChI=1S/C18H22N6O2S/c1-13-11-26-9-8-23(13)17-10-16(22-27(2,3)25)20-18(21-17)24-12-19-14-6-4-5-7-15(14)24/h4-7,10,12-13H,8-9,11H2,1-3H3/t13-/m1/s1
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n/an/a 2n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu...


US Patent US10392376 (2019)


BindingDB Entry DOI: 10.7270/Q2H70J60
More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM411558
PNG
((R)-((2-(5-fluoro-1H- benzo[d]imidazol-1-yl)- 6-(3...)
Show SMILES C[C@@H]1COCCN1c1cc(N=S(C)(C)=O)nc(n1)-n1cnc2cc(F)ccc12
Show InChI InChI=1S/C18H21FN6O2S/c1-12-10-27-7-6-24(12)17-9-16(23-28(2,3)26)21-18(22-17)25-11-20-14-8-13(19)4-5-15(14)25/h4-5,8-9,11-12H,6-7,10H2,1-3H3/t12-/m1/s1
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n/an/a 2n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu...


US Patent US10392376 (2019)


BindingDB Entry DOI: 10.7270/Q2H70J60
More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM411429
PNG
(US10392376, Example 3 | US10800769, Example 3 | di...)
Show SMILES CCS(=O)(CC)=Nc1cc(nc(n1)-c1ccnc2[nH]ccc12)N1CCOC[C@H]1C
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n/an/a 2n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu...


US Patent US10392376 (2019)


BindingDB Entry DOI: 10.7270/Q2H70J60
More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM411557
PNG
((R)-((2-(5-fluoro-2- methyl-1H-benzo[d]- imidazol-...)
Show SMILES C[C@@H]1COCCN1c1cc(N=S(C)(C)=O)nc(n1)-n1c(C)nc2cc(F)ccc12
Show InChI InChI=1S/C19H23FN6O2S/c1-12-11-28-8-7-25(12)18-10-17(24-29(3,4)27)22-19(23-18)26-13(2)21-15-9-14(20)5-6-16(15)26/h5-6,9-10,12H,7-8,11H2,1-4H3/t12-/m1/s1
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n/an/a 2n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu...


US Patent US10392376 (2019)


BindingDB Entry DOI: 10.7270/Q2H70J60
More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM411505
PNG
(Methyl (R)-1-((6-(3- methylmorpholino)-2- (1H-pyrr...)
Show SMILES COC(=O)N1CCS(=O)(CC1)=Nc1cc(nc(n1)-c1ccnc2[nH]ccc12)N1CCOC[C@H]1C
PDB

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n/an/a 2n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu...


US Patent US10392376 (2019)


BindingDB Entry DOI: 10.7270/Q2H70J60
More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM411444
PNG
(US10392376, Example 16 | US10800769, Example 16)
Show SMILES C[C@@H]1COCCN1c1cc(N=S(C)(=O)C2CC2)nc(n1)-c1ccnc2[nH]ccc12
PDB

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n/an/a 3n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu...


US Patent US10392376 (2019)


BindingDB Entry DOI: 10.7270/Q2H70J60
More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM411472
PNG
(US10392376, Example 34 | US10800769, Example 34)
Show SMILES C[C@@H]1COCCN1c1cc(N=S(C)(C)=O)nc(n1)-n1c(C)nc2c(F)cccc12
Show InChI InChI=1S/C19H23FN6O2S/c1-12-11-28-9-8-25(12)17-10-16(24-29(3,4)27)22-19(23-17)26-13(2)21-18-14(20)6-5-7-15(18)26/h5-7,10,12H,8-9,11H2,1-4H3/t12-/m1/s1
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n/an/a 3n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu...


US Patent US10392376 (2019)


BindingDB Entry DOI: 10.7270/Q2H70J60
More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM411548
PNG
((R)-((2-(1H-indol-4-yl)- 6-(3-methylmorpholino)- p...)
Show SMILES C[C@@H]1COCCN1c1cc(N=S(C)(C)=O)nc(n1)-c1cccc2[nH]ccc12
PDB

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n/an/a 3n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu...


US Patent US10392376 (2019)


BindingDB Entry DOI: 10.7270/Q2H70J60
More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM411549
PNG
(Methyl((6-((R)-3- methylmorpholino)-2- (1H-pyrrolo...)
Show SMILES C[C@@H]1COCCN1c1cc(N=S(C)(=O)C2COC2)nc(n1)-c1cncc2[nH]ccc12
PDB

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n/an/a 3n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu...


US Patent US10392376 (2019)


BindingDB Entry DOI: 10.7270/Q2H70J60
More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM411432
PNG
(4-({6-[(3R)-3-methyl- morpholin-4-yl]-2-{1H- pyrro...)
Show SMILES C[C@@H]1COCCN1c1cc(N=S2(=O)CCOCC2)nc(n1)-c1ccnc2[nH]ccc12
PDB

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n/an/a 3n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu...


US Patent US10392376 (2019)


BindingDB Entry DOI: 10.7270/Q2H70J60
More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM411468
PNG
(US10392376, Example 30 | US10800769, Example 30)
Show SMILES C[C@@H]1COCCN1c1cc(N=S(C)(C)=O)nc(n1)-n1c(C)nc2ccccc12
Show InChI InChI=1S/C19H24N6O2S/c1-13-12-27-10-9-24(13)18-11-17(23-28(3,4)26)21-19(22-18)25-14(2)20-15-7-5-6-8-16(15)25/h5-8,11,13H,9-10,12H2,1-4H3/t13-/m1/s1
PDB

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n/an/a 3n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu...


US Patent US10392376 (2019)


BindingDB Entry DOI: 10.7270/Q2H70J60
More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM411555
PNG
((R)-((2-(6-fluoro-1H- benzo[d]imidazol-1-yl)- 6-(3...)
Show SMILES C[C@@H]1COCCN1c1cc(N=S(C)(C)=O)nc(n1)-n1cnc2ccc(F)cc12
Show InChI InChI=1S/C18H21FN6O2S/c1-12-10-27-7-6-24(12)17-9-16(23-28(2,3)26)21-18(22-17)25-11-20-14-5-4-13(19)8-15(14)25/h4-5,8-9,11-12H,6-7,10H2,1-3H3/t12-/m1/s1
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n/an/a 3n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu...


US Patent US10392376 (2019)


BindingDB Entry DOI: 10.7270/Q2H70J60
More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM411510
PNG
((R)-cyclopropyl(1-((6-(3- methylmorpholino)-2- (1H...)
Show SMILES C[C@@H]1COCCN1c1cc(N=S2(=O)CCN(CC2)C(=O)C2CC2)nc(n1)-c1ccnc2[nH]ccc12
PDB

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n/an/a 3n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu...


US Patent US10392376 (2019)


BindingDB Entry DOI: 10.7270/Q2H70J60
More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM411545
PNG
(Methyl((2-(2-methyl-1H- benzo[d]imidazol-1-yl)- 6-...)
Show SMILES C[C@@H]1COCCN1c1cc(N=S(C)(=O)C2COC2)nc(n1)-n1c(C)nc2ccccc12
Show InChI InChI=1S/C21H26N6O3S/c1-14-11-29-9-8-26(14)20-10-19(25-31(3,28)16-12-30-13-16)23-21(24-20)27-15(2)22-17-6-4-5-7-18(17)27/h4-7,10,14,16H,8-9,11-13H2,1-3H3/t14-,31?/m1/s1
PDB

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n/an/a 3n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu...


US Patent US10392376 (2019)


BindingDB Entry DOI: 10.7270/Q2H70J60
More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM411516
PNG
((R)-2-hydroxy-1-(1-((6- (3-methylmorpholino)-2- (1...)
Show SMILES C[C@@H]1COCCN1c1cc(N=S2(=O)CCN(CC2)C(=O)CO)nc(n1)-c1ccnc2[nH]ccc12
PDB

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n/an/a 3n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu...


US Patent US10392376 (2019)


BindingDB Entry DOI: 10.7270/Q2H70J60
More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM411496
PNG
(US10392376, Example 47 | US10800769, Example 47)
Show SMILES C[C@@H]1COCCN1c1cc(N=S(C)(C)=O)nc(n1)-n1ccc2ccccc12
Show InChI InChI=1S/C19H23N5O2S/c1-14-13-26-11-10-23(14)18-12-17(22-27(2,3)25)20-19(21-18)24-9-8-15-6-4-5-7-16(15)24/h4-9,12,14H,10-11,13H2,1-3H3/t14-/m1/s1
PDB

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n/an/a 3n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu...


US Patent US10392376 (2019)


BindingDB Entry DOI: 10.7270/Q2H70J60
More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM411519
PNG
((R)-((2-(2-ethyl-1H- benzo[d]imidazol-1-yl)- 6-(3-...)
Show SMILES CCc1nc2ccccc2n1-c1nc(cc(n1)N1CCOC[C@H]1C)N=S(C)(C)=O
Show InChI InChI=1S/C20H26N6O2S/c1-5-18-21-15-8-6-7-9-16(15)26(18)20-22-17(24-29(3,4)27)12-19(23-20)25-10-11-28-13-14(25)2/h6-9,12,14H,5,10-11,13H2,1-4H3/t14-/m1/s1
PDB

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n/an/a 3n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu...


US Patent US10392376 (2019)


BindingDB Entry DOI: 10.7270/Q2H70J60
More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM411541
PNG
(((2-(1H-benzo[d]- imidazol-1-yl)-6-((R)-3- methylm...)
Show SMILES C[C@@H]1COCCN1c1cc(N=S(C)(=O)C2CC2)nc(n1)-n1cnc2ccccc12
Show InChI InChI=1S/C20H24N6O2S/c1-14-12-28-10-9-25(14)19-11-18(24-29(2,27)15-7-8-15)22-20(23-19)26-13-21-16-5-3-4-6-17(16)26/h3-6,11,13-15H,7-10,12H2,1-2H3/t14-,29?/m1/s1
PDB

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n/an/a 4n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu...


US Patent US10392376 (2019)


BindingDB Entry DOI: 10.7270/Q2H70J60
More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM411433
PNG
(US10392376, Example 7 | US10800769, Example 7 | me...)
Show SMILES CCS(C)(=O)=Nc1cc(nc(n1)-c1ccnc2[nH]ccc12)N1CCOC[C@H]1C
PDB

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n/an/a 4n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu...


US Patent US10392376 (2019)


BindingDB Entry DOI: 10.7270/Q2H70J60
More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM411439
PNG
(US10392376, Example 12 | US10800769, Example 12)
Show SMILES C[C@@H]1COCCN1c1cc(N=S2(=O)CCN(CC2)C(C)=O)nc(n1)-c1ccnc2[nH]ccc12
PDB

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n/an/a 4n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu...


US Patent US10392376 (2019)


BindingDB Entry DOI: 10.7270/Q2H70J60
More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM411512
PNG
(Isopropyl (R)-1-((6-(3- methylmorpholino)-2- (1H-p...)
Show SMILES CC(C)OC(=O)N1CCS(=O)(CC1)=Nc1cc(nc(n1)-c1ccnc2[nH]ccc12)N1CCOC[C@H]1C
PDB

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n/an/a 4n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu...


US Patent US10392376 (2019)


BindingDB Entry DOI: 10.7270/Q2H70J60
More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM411509
PNG
(Methyl((6-((R)-3- methylmorpholino)-2- (1H-pyrrolo...)
Show SMILES C[C@@H]1COCCN1c1cc(N=S(C)(=O)C2COC2)nc(n1)-c1ccnc2[nH]ccc12
PDB

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n/an/a 4n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu...


US Patent US10392376 (2019)


BindingDB Entry DOI: 10.7270/Q2H70J60
More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM411445
PNG
(US10392376, Example 17a | US10392376, Example 17b ...)
Show SMILES CC[S@](C)(=O)=Nc1cc(nc(n1)-c1ccnc2[nH]ccc12)N1CCOC[C@H]1C
PDB

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n/an/a 4n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu...


US Patent US10392376 (2019)


BindingDB Entry DOI: 10.7270/Q2H70J60
More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM411504
PNG
((R)-1-(1-((6-(3- methylmorpholino)-2- (1H-pyrrolo[...)
Show SMILES CCC(=O)N1CCS(=O)(CC1)=Nc1cc(nc(n1)-c1ccnc2[nH]ccc12)N1CCOC[C@H]1C
PDB

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n/an/a 4n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu...


US Patent US10392376 (2019)


BindingDB Entry DOI: 10.7270/Q2H70J60
More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM411428
PNG
(1-({6-[(3R)-3-methyl- morpholin-4-yl]-2-{1H- pyrro...)
Show SMILES C[C@@H]1COCCN1c1cc(N=S2(=O)CCCC2)nc(n1)-c1ccnc2[nH]ccc12
PDB

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n/an/a 5n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu...


US Patent US10392376 (2019)


BindingDB Entry DOI: 10.7270/Q2H70J60
More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM411511
PNG
((R)-2-methoxy-1-(1-((6- (3-methylmorpholino)-2- (1...)
Show SMILES COCC(=O)N1CCS(=O)(CC1)=Nc1cc(nc(n1)-c1ccnc2[nH]ccc12)N1CCOC[C@H]1C
PDB

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n/an/a 5n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu...


US Patent US10392376 (2019)


BindingDB Entry DOI: 10.7270/Q2H70J60
More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM411527
PNG
((R)-dimethyl((6-(3- methylmorpholino)-2- (1H-pyrro...)
Show SMILES C[C@@H]1COCCN1c1cc(N=S(C)(C)=O)nc(n1)-c1cncc2[nH]ccc12
PDB

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n/an/a 5n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu...


US Patent US10392376 (2019)


BindingDB Entry DOI: 10.7270/Q2H70J60
More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM411529
PNG
((R)-dimethyl((2-(6- methyl-1H-benzo[d]- imidazol-1...)
Show SMILES C[C@@H]1COCCN1c1cc(N=S(C)(C)=O)nc(n1)-n1cnc2ccc(C)cc12
Show InChI InChI=1S/C19H24N6O2S/c1-13-5-6-15-16(9-13)25(12-20-15)19-21-17(23-28(3,4)26)10-18(22-19)24-7-8-27-11-14(24)2/h5-6,9-10,12,14H,7-8,11H2,1-4H3/t14-/m1/s1
PDB

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n/an/a 6n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu...


US Patent US10392376 (2019)


BindingDB Entry DOI: 10.7270/Q2H70J60
More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM411490
PNG
(US10392376, Example 44a | US10392376, Example 44b ...)
Show SMILES C[C@@H]1COCCN1c1cc(N=[S@](C)(=O)C2CC2)nc(n1)-n1c(C)nc2ccccc12
Show InChI InChI=1S/C21H26N6O2S/c1-14-13-29-11-10-26(14)20-12-19(25-30(3,28)16-8-9-16)23-21(24-20)27-15(2)22-17-6-4-5-7-18(17)27/h4-7,12,14,16H,8-11,13H2,1-3H3/t14-,30-/m1/s1
PDB

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n/an/a 6n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu...


US Patent US10392376 (2019)


BindingDB Entry DOI: 10.7270/Q2H70J60
More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM411445
PNG
(US10392376, Example 17a | US10392376, Example 17b ...)
Show SMILES CC[S@](C)(=O)=Nc1cc(nc(n1)-c1ccnc2[nH]ccc12)N1CCOC[C@H]1C
PDB

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n/an/a 7n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu...


US Patent US10392376 (2019)


BindingDB Entry DOI: 10.7270/Q2H70J60
More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM411556
PNG
((R)-((2-(6-fluoro-2- methyl-1H-benzo[d]- imidazol-...)
Show SMILES C[C@@H]1COCCN1c1cc(N=S(C)(C)=O)nc(n1)-n1c(C)nc2ccc(F)cc12
Show InChI InChI=1S/C19H23FN6O2S/c1-12-11-28-8-7-25(12)18-10-17(24-29(3,4)27)22-19(23-18)26-13(2)21-15-6-5-14(20)9-16(15)26/h5-6,9-10,12H,7-8,11H2,1-4H3/t12-/m1/s1
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n/an/a 7n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu...


US Patent US10392376 (2019)


BindingDB Entry DOI: 10.7270/Q2H70J60
More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM411438
PNG
(US10392376, Example 11 | US10800769, Example 11)
Show SMILES C[C@@H]1COCCN1c1cc(N=S(C)(C)=O)nc(n1)-c1ccnc2[nH]c(C)cc12
PDB

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n/an/a 7n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu...


US Patent US10392376 (2019)


BindingDB Entry DOI: 10.7270/Q2H70J60
More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM411431
PNG
(1-({6-[(3R)-3-methyl- morpholin-4-yl]-2-{1H- pyrro...)
Show SMILES C[C@@H]1COCCN1c1cc(N=S2(=O)CCCCC2)nc(n1)-c1ccnc2[nH]ccc12
PDB

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n/an/a 8n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu...


US Patent US10392376 (2019)


BindingDB Entry DOI: 10.7270/Q2H70J60
More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM411494
PNG
(US10392376, Example 46a | US10392376, Example 46b ...)
Show SMILES C[C@@H]1COCCN1c1cc(N=[S@](C)(=O)C2CC2)nc(n1)-c1ccnc2[nH]ccc12
PDB

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n/an/a 8n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu...


US Patent US10392376 (2019)


BindingDB Entry DOI: 10.7270/Q2H70J60
More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM411452
PNG
(US10392376, Example 19 | US10800769, Example 19)
Show SMILES C[C@@H]1COCCN1c1cc(N=S(C)(C)=O)nc(n1)-c1cc(Cl)nc2[nH]ccc12
PDB

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n/an/a 8n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu...


US Patent US10392376 (2019)


BindingDB Entry DOI: 10.7270/Q2H70J60
More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM411551
PNG
((R)-((2-(5,6-difluoro-1H- benzo[d]imidazol-1-yl)- ...)
Show SMILES C[C@@H]1COCCN1c1cc(N=S(C)(C)=O)nc(n1)-n1cnc2cc(F)c(F)cc12
Show InChI InChI=1S/C18H20F2N6O2S/c1-11-9-28-5-4-25(11)17-8-16(24-29(2,3)27)22-18(23-17)26-10-21-14-6-12(19)13(20)7-15(14)26/h6-8,10-11H,4-5,9H2,1-3H3/t11-/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu...


US Patent US10392376 (2019)


BindingDB Entry DOI: 10.7270/Q2H70J60
More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM411467
PNG
(US10392376, Example 29 | US10800769, Example 29)
Show SMILES C[C@@H]1COCCN1c1cc(N=S(C)(C)=O)nc(n1)-n1c(nc2ccccc12)C1CC1
Show InChI InChI=1S/C21H26N6O2S/c1-14-13-29-11-10-26(14)19-12-18(25-30(2,3)28)23-21(24-19)27-17-7-5-4-6-16(17)22-20(27)15-8-9-15/h4-7,12,14-15H,8-11,13H2,1-3H3/t14-/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu...


US Patent US10392376 (2019)


BindingDB Entry DOI: 10.7270/Q2H70J60
More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM411554
PNG
((R)-((2-(2-amino-6- cyclopropylpyridin-4-yl)- 6-(3...)
Show SMILES C[C@@H]1COCCN1c1cc(N=S(C)(C)=O)nc(n1)-c1cc(N)nc(c1)C1CC1
Show InChI InChI=1S/C19H26N6O2S/c1-12-11-27-7-6-25(12)18-10-17(24-28(2,3)26)22-19(23-18)14-8-15(13-4-5-13)21-16(20)9-14/h8-10,12-13H,4-7,11H2,1-3H3,(H2,20,21)/t12-/m1/s1
PDB

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n/an/a 14n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu...


US Patent US10392376 (2019)


BindingDB Entry DOI: 10.7270/Q2H70J60
More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM411506
PNG
((1-Acetylpiperidin-4-yl)- (methyl)((6-((R)-3- meth...)
Show SMILES C[C@@H]1COCCN1c1cc(N=S(C)(=O)C2CCN(CC2)C(C)=O)nc(n1)-c1ccnc2[nH]ccc12
PDB

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n/an/a 15n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu...


US Patent US10392376 (2019)


BindingDB Entry DOI: 10.7270/Q2H70J60
More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM411507
PNG
(Methyl 4-(S-methyl-N- (6-((R)-3-methyl- morpholino...)
Show SMILES COC(=O)N1CCC(CC1)S(C)(=O)=Nc1cc(nc(n1)-c1ccnc2[nH]ccc12)N1CCOC[C@H]1C
PDB

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n/an/a 15n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu...


US Patent US10392376 (2019)


BindingDB Entry DOI: 10.7270/Q2H70J60
More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM411482
PNG
(US10392376, Example 41a | US10392376, Example 41b ...)
Show SMILES C[C@@H]1COCCN1c1cc(N=[S@](C)(=O)C2COC2)nc(n1)-n1c(C)nc2ccccc12
Show InChI InChI=1S/C21H26N6O3S/c1-14-11-29-9-8-26(14)20-10-19(25-31(3,28)16-12-30-13-16)23-21(24-20)27-15(2)22-17-6-4-5-7-18(17)27/h4-7,10,14,16H,8-9,11-13H2,1-3H3/t14-,31-/m1/s1
PDB

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n/an/a 15n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu...


US Patent US10392376 (2019)


BindingDB Entry DOI: 10.7270/Q2H70J60
More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM411550
PNG
((R)-((2-(1H-benzo[d]- imidazol-4-yl)-6-(3- methylm...)
Show SMILES C[C@@H]1COCCN1c1cc(N=S(C)(C)=O)nc(n1)-c1cccc2[nH]cnc12
PDB

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n/an/a 17n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu...


US Patent US10392376 (2019)


BindingDB Entry DOI: 10.7270/Q2H70J60
More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM411525
PNG
((R)-((2-(2-isopropyl-1H- benzo[d]imidazol-1-yl)- 6...)
Show SMILES CC(C)c1nc2ccccc2n1-c1nc(cc(n1)N1CCOC[C@H]1C)N=S(C)(C)=O
Show InChI InChI=1S/C21H28N6O2S/c1-14(2)20-22-16-8-6-7-9-17(16)27(20)21-23-18(25-30(4,5)28)12-19(24-21)26-10-11-29-13-15(26)3/h6-9,12,14-15H,10-11,13H2,1-5H3/t15-/m1/s1
PDB

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n/an/a 17n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu...


US Patent US10392376 (2019)


BindingDB Entry DOI: 10.7270/Q2H70J60
More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM411568
PNG
(Methyl((6-((R)-3- methylmorpholino)-2- (1H-pyrrolo...)
Show SMILES C[C@@H]1COCCN1c1cc(N=S(C)(=O)c2cccnc2)nc(n1)-c1ccnc2[nH]ccc12
PDB

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n/an/a 17n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu...


US Patent US10392376 (2019)


BindingDB Entry DOI: 10.7270/Q2H70J60
More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM411514
PNG
((R)-1-((6-(3-methyl- morpholino)-2-(1H- pyrrolo[2,...)
Show SMILES C[C@@H]1COCCN1c1cc(N=S2(=O)CCNCC2)nc(n1)-c1ccnc2[nH]ccc12
PDB

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



Board of Regents, The University of Texas System

US Patent


Assay Description
Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu...


US Patent US10392376 (2019)


BindingDB Entry DOI: 10.7270/Q2H70J60
More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM411534
PNG
((R)-((2-(1H-indazol-1- yl)-6-(3-methyl- morpholino...)
Show SMILES C[C@@H]1COCCN1c1cc(N=S(C)(C)=O)nc(n1)-n1ncc2ccccc12
Show InChI InChI=1S/C18H22N6O2S/c1-13-12-26-9-8-23(13)17-10-16(22-27(2,3)25)20-18(21-17)24-15-7-5-4-6-14(15)11-19-24/h4-7,10-11,13H,8-9,12H2,1-3H3/t13-/m1/s1
PDB

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



Board of Regents, The University of Texas System

US Patent


Assay Description
Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu...


US Patent US10392376 (2019)


BindingDB Entry DOI: 10.7270/Q2H70J60
More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM411508
PNG
(Methyl((6-((R)-3- methylmorpholino)-2- (1H-pyrrolo...)
Show SMILES CCC(=O)N1CCC(CC1)S(C)(=O)=Nc1cc(nc(n1)-c1ccnc2[nH]ccc12)N1CCOC[C@H]1C
PDB

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n/an/a 21n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu...


US Patent US10392376 (2019)


BindingDB Entry DOI: 10.7270/Q2H70J60
More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM411454
PNG
(US10392376, Example 21 | US10800769, Example 21)
Show SMILES C[C@@H]1COCCN1c1cc(N=S(C)(C)=O)nc(n1)-c1cc(C)nc2[nH]ccc12
PDB

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n/an/a 21n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu...


US Patent US10392376 (2019)


BindingDB Entry DOI: 10.7270/Q2H70J60
More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM411463
PNG
(US10392376, Example 25 | US10800769, Example 25)
Show SMILES COc1cc(-c2nc(cc(n2)N2CCOC[C@H]2C)N=S(C)(C)=O)c2cc[nH]c2n1
PDB

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n/an/a 22n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu...


US Patent US10392376 (2019)


BindingDB Entry DOI: 10.7270/Q2H70J60
More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM411521
PNG
((R)-((2-(1H-benzo[d]- [1,2,3]triazol-1-yl)-6-(3- m...)
Show SMILES C[C@@H]1COCCN1c1cc(N=S(C)(C)=O)nc(n1)-n1nnc2ccccc12
Show InChI InChI=1S/C17H21N7O2S/c1-12-11-26-9-8-23(12)16-10-15(21-27(2,3)25)18-17(19-16)24-14-7-5-4-6-13(14)20-22-24/h4-7,10,12H,8-9,11H2,1-3H3/t12-/m1/s1
PDB

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n/an/a 23n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu...


US Patent US10392376 (2019)


BindingDB Entry DOI: 10.7270/Q2H70J60
More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM411570
PNG
((R)-1-((2-(6-chloro-1H- pyrrolo[2,3-b]pyridin-4- y...)
Show SMILES C[C@@H]1COCCN1c1cc(N=S2(=O)CCCC2)nc(n1)-c1cc(Cl)nc2[nH]ccc12
PDB

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n/an/a 24n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu...


US Patent US10392376 (2019)


BindingDB Entry DOI: 10.7270/Q2H70J60
More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM411437
PNG
(US10392376, Example 10 | US10800769, Example 10)
Show SMILES C[C@@H]1COCCN1c1cc(N=S(C)(C)=O)nc(n1)-c1c(F)cnc2[nH]ccc12
PDB

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n/an/a 26n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu...


US Patent US10392376 (2019)


BindingDB Entry DOI: 10.7270/Q2H70J60
More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM411569
PNG
(Methyl(1-methyl-1H- pyrazol-4-yl)((6-((R)-3- methy...)
Show SMILES C[C@@H]1COCCN1c1cc(N=S(C)(=O)c2cnn(C)c2)nc(n1)-c1ccnc2[nH]ccc12
PDB

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n/an/a 26n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu...


US Patent US10392376 (2019)


BindingDB Entry DOI: 10.7270/Q2H70J60
More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM411522
PNG
((R)-((2-(6-fluoro-1H- indazol-4-yl)-6-(3- methylmo...)
Show SMILES C[C@@H]1COCCN1c1cc(N=S(C)(C)=O)nc(n1)-c1cc(F)cc2[nH]ncc12
PDB

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n/an/a 27n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu...


US Patent US10392376 (2019)


BindingDB Entry DOI: 10.7270/Q2H70J60
More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM411484
PNG
(US10392376, Example 42a | US10392376, Example 42b ...)
Show SMILES C[C@@H]1COCCN1c1cc(N=[S@](C)(=O)C2CC2)nc(n1)-c1cc(N)nc(Cl)c1
Show InChI InChI=1S/C18H23ClN6O2S/c1-11-10-27-6-5-25(11)17-9-16(24-28(2,26)13-3-4-13)22-18(23-17)12-7-14(19)21-15(20)8-12/h7-9,11,13H,3-6,10H2,1-2H3,(H2,20,21)/t11-,28-/m1/s1
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n/an/a 31n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu...


US Patent US10392376 (2019)


BindingDB Entry DOI: 10.7270/Q2H70J60
More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM411456
PNG
(US10392376, Example 23 | US10800769, Example 23)
Show SMILES C[C@@H]1COCCN1c1cc(N=S(C)(C)=O)nc(n1)-c1cccc2[nH]ncc12
PDB

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n/an/a 31n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu...


US Patent US10392376 (2019)


BindingDB Entry DOI: 10.7270/Q2H70J60
More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM411497
PNG
(US10392376, Example 48 | US10800769, Example 48)
Show SMILES C[C@@H]1COCCN1c1cc(N=S(C)(C)=O)nc(n1)-c1c(C)nc2ccccn12
Show InChI InChI=1S/C19H24N6O2S/c1-13-12-27-10-9-24(13)17-11-15(23-28(3,4)26)21-19(22-17)18-14(2)20-16-7-5-6-8-25(16)18/h5-8,11,13H,9-10,12H2,1-4H3/t13-/m1/s1
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n/an/a 34n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu...


US Patent US10392376 (2019)


BindingDB Entry DOI: 10.7270/Q2H70J60
More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM411457
PNG
(US10392376, Example 24 | US10800769, Example 24)
Show SMILES CNc1cc(ccn1)-c1nc(cc(n1)N1CCOC[C@H]1C)N=S(C)(C)=O
Show InChI InChI=1S/C17H24N6O2S/c1-12-11-25-8-7-23(12)16-10-15(22-26(3,4)24)20-17(21-16)13-5-6-19-14(9-13)18-2/h5-6,9-10,12H,7-8,11H2,1-4H3,(H,18,19)/t12-/m1/s1
PDB

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n/an/a 36n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu...


US Patent US10392376 (2019)


BindingDB Entry DOI: 10.7270/Q2H70J60
More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM411532
PNG
((R)-dimethyl((6-(3- methylmorpholino)-2-(2- (trifl...)
Show SMILES C[C@@H]1COCCN1c1cc(N=S(C)(C)=O)nc(n1)-n1c(nc2ccccc12)C(F)(F)F
Show InChI InChI=1S/C19H21F3N6O2S/c1-12-11-30-9-8-27(12)16-10-15(26-31(2,3)29)24-18(25-16)28-14-7-5-4-6-13(14)23-17(28)19(20,21)22/h4-7,10,12H,8-9,11H2,1-3H3/t12-/m1/s1
PDB

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n/an/a 45n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu...


US Patent US10392376 (2019)


BindingDB Entry DOI: 10.7270/Q2H70J60
More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM411471
PNG
(US10392376, Example 33 | US10800769, Example 33)
Show SMILES CS(C)(=O)=Nc1cc(nc(n1)-c1ccnc2[nH]ccc12)N1CCOC[C@H]1C(F)F
PDB

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n/an/a 47n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu...


US Patent US10392376 (2019)


BindingDB Entry DOI: 10.7270/Q2H70J60
More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM411478
PNG
(US10392376, Example 39a | US10392376, Example 39b ...)
Show SMILES C[C@@H]1COCCN1c1cc(N=[S@](C)(=O)C2CC2)nc(n1)-c1ccnc(N)c1
Show InChI InChI=1S/C18H24N6O2S/c1-12-11-26-8-7-24(12)17-10-16(23-27(2,25)14-3-4-14)21-18(22-17)13-5-6-20-15(19)9-13/h5-6,9-10,12,14H,3-4,7-8,11H2,1-2H3,(H2,19,20)/t12-,27-/m1/s1
PDB

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n/an/a 48n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu...


US Patent US10392376 (2019)


BindingDB Entry DOI: 10.7270/Q2H70J60
More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM411474
PNG
(US10392376, Example 36 | US10800769, Example 36)
Show SMILES C[C@@H]1COCCN1c1cc(N=S(C)(C)=O)nc(n1)-n1c(C)nc2ncccc12
Show InChI InChI=1S/C18H23N7O2S/c1-12-11-27-9-8-24(12)16-10-15(23-28(3,4)26)21-18(22-16)25-13(2)20-17-14(25)6-5-7-19-17/h5-7,10,12H,8-9,11H2,1-4H3/t12-/m1/s1
PDB

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n/an/a 50n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu...


US Patent US10392376 (2019)


BindingDB Entry DOI: 10.7270/Q2H70J60
More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM411500
PNG
(US10392376, Example 51 | US10800769, Example 51)
Show SMILES C[C@@H]1COCCN1c1cc(N=S(C)(C)=O)nc(n1)-c1c(C)nn2ccccc12
Show InChI InChI=1S/C19H24N6O2S/c1-13-12-27-10-9-24(13)17-11-16(23-28(3,4)26)20-19(21-17)18-14(2)22-25-8-6-5-7-15(18)25/h5-8,11,13H,9-10,12H2,1-4H3/t13-/m1/s1
PDB

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n/an/a 55n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu...


US Patent US10392376 (2019)


BindingDB Entry DOI: 10.7270/Q2H70J60
More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM411518
PNG
((R)-dimethyl((6-(3- methylmorpholino)-2- (7H-pyrro...)
Show SMILES C[C@@H]1COCCN1c1cc(N=S(C)(C)=O)nc(n1)-c1ncnc2[nH]ccc12
PDB

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n/an/a 59n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu...


US Patent US10392376 (2019)


BindingDB Entry DOI: 10.7270/Q2H70J60
More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM411524
PNG
((R)-((2'-amino-6-(3- methylmorpholino)-[2,5'- bipy...)
Show SMILES C[C@@H]1COCCN1c1cc(N=S(C)(C)=O)nc(n1)-c1cnc(N)nc1
Show InChI InChI=1S/C15H21N7O2S/c1-10-9-24-5-4-22(10)13-6-12(21-25(2,3)23)19-14(20-13)11-7-17-15(16)18-8-11/h6-8,10H,4-5,9H2,1-3H3,(H2,16,17,18)/t10-/m1/s1
PDB

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n/an/a 63n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu...


US Patent US10392376 (2019)


BindingDB Entry DOI: 10.7270/Q2H70J60
More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM411453
PNG
(US10392376, Example 20 | US10800769, Example 20)
Show SMILES C[C@@H]1COCCN1c1cc(N=S(C)(C)=O)nc(n1)-c1cc(nc2[nH]ccc12)C#N
PDB

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n/an/a 67n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu...


US Patent US10392376 (2019)


BindingDB Entry DOI: 10.7270/Q2H70J60
More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM411449
PNG
(US10392376, Example 18a | US10392376, Example 18b ...)
Show SMILES COc1cc(cc(N)n1)-c1nc(cc(n1)N1CCOC[C@H]1C)N=[S@](C)(=O)C1CC1
Show InChI InChI=1S/C19H26N6O3S/c1-12-11-28-7-6-25(12)17-10-16(24-29(3,26)14-4-5-14)22-19(23-17)13-8-15(20)21-18(9-13)27-2/h8-10,12,14H,4-7,11H2,1-3H3,(H2,20,21)/t12-,29-/m1/s1
PDB

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n/an/a 71n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu...


US Patent US10392376 (2019)


BindingDB Entry DOI: 10.7270/Q2H70J60
More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM411562
PNG
(((2-(2-amino-6- chloropyridin-4-yl)-6- ((R)-3-meth...)
Show SMILES C[C@@H]1COCCN1c1cc(N=S(C)(=O)C2CC2)nc(n1)-c1cc(N)nc(Cl)c1
Show InChI InChI=1S/C18H23ClN6O2S/c1-11-10-27-6-5-25(11)17-9-16(24-28(2,26)13-3-4-13)22-18(23-17)12-7-14(19)21-15(20)8-12/h7-9,11,13H,3-6,10H2,1-2H3,(H2,20,21)/t11-,28?/m1/s1
PDB

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n/an/a 72n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu...


US Patent US10392376 (2019)


BindingDB Entry DOI: 10.7270/Q2H70J60
More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM411523
PNG
((R)-((2-(3-hydroxy- phenyl)-6-(3-methyl- morpholin...)
Show SMILES C[C@@H]1COCCN1c1cc(N=S(C)(C)=O)nc(n1)-c1cccc(O)c1
Show InChI InChI=1S/C17H22N4O3S/c1-12-11-24-8-7-21(12)16-10-15(20-25(2,3)23)18-17(19-16)13-5-4-6-14(22)9-13/h4-6,9-10,12,22H,7-8,11H2,1-3H3/t12-/m1/s1
PDB

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n/an/a 73n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu...


US Patent US10392376 (2019)


BindingDB Entry DOI: 10.7270/Q2H70J60
More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM411455
PNG
(US10392376, Example 22 | US10800769, Example 22)
Show SMILES C[C@@H]1COCCN1c1cc(N=S(C)(C)=O)nc(n1)-c1ccnc2[nH]ncc12
PDB

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n/an/a 77n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu...


US Patent US10392376 (2019)


BindingDB Entry DOI: 10.7270/Q2H70J60
More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM411464
PNG
(US10392376, Example 26 | US10800769, Example 26)
Show SMILES C[C@@H]1COCCN1c1cc(N=S(C)(C)=O)nc(n1)-c1ccnc2[nH]cnc12
PDB

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n/an/a 81n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu...


US Patent US10392376 (2019)


BindingDB Entry DOI: 10.7270/Q2H70J60
More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM411553
PNG
((R)-4-(4-((dimethyl(oxo)- 16-sulfaneylidene)- amin...)
Show SMILES C[C@@H]1COCCN1c1cc(N=S(C)(C)=O)nc(n1)-c1ccnc2[nH]c(cc12)C#N
PDB

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n/an/a 88n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu...


US Patent US10392376 (2019)


BindingDB Entry DOI: 10.7270/Q2H70J60
More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM411441
PNG
(US10392376, Example 13 | US10800769, Example 13)
Show SMILES C[C@@H]1COCCN1c1cc(N=S(C)(C)=O)nc(n1)-c1cc(N)nc(Cl)c1
Show InChI InChI=1S/C16H21ClN6O2S/c1-10-9-25-5-4-23(10)15-8-14(22-26(2,3)24)20-16(21-15)11-6-12(17)19-13(18)7-11/h6-8,10H,4-5,9H2,1-3H3,(H2,18,19)/t10-/m1/s1
PDB

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n/an/a 104n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu...


US Patent US10392376 (2019)


BindingDB Entry DOI: 10.7270/Q2H70J60
More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM411565
PNG
(((2-(2-Amino-6- chloropyridin-4-yl)-6- ((R)-3-meth...)
Show SMILES C[C@@H]1COCCN1c1cc(N=S(C)(=O)C2COC2)nc(n1)-c1cc(N)nc(Cl)c1
Show InChI InChI=1S/C18H23ClN6O3S/c1-11-8-27-4-3-25(11)17-7-16(24-29(2,26)13-9-28-10-13)22-18(23-17)12-5-14(19)21-15(20)6-12/h5-7,11,13H,3-4,8-10H2,1-2H3,(H2,20,21)/t11-,29?/m1/s1
PDB

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n/an/a 105n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu...


US Patent US10392376 (2019)


BindingDB Entry DOI: 10.7270/Q2H70J60
More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM411492
PNG
(US10392376, Example 45a | US10392376, Example 45b ...)
Show SMILES COc1cc(cc(N)n1)-c1nc(cc(n1)N1CCOC[C@H]1C)N=[S@](C)(=O)C1COC1
Show InChI InChI=1S/C19H26N6O4S/c1-12-9-28-5-4-25(12)17-8-16(24-30(3,26)14-10-29-11-14)22-19(23-17)13-6-15(20)21-18(7-13)27-2/h6-8,12,14H,4-5,9-11H2,1-3H3,(H2,20,21)/t12-,30-/m1/s1
PDB

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n/an/a 110n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu...


US Patent US10392376 (2019)


BindingDB Entry DOI: 10.7270/Q2H70J60
More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM411542
PNG
(((2-(6-aminopyridin-3- yl)-6-((R)-3-methyl- morpho...)
Show SMILES C[C@@H]1COCCN1c1cc(N=S(C)(=O)C2CC2)nc(n1)-c1ccc(N)nc1
Show InChI InChI=1S/C18H24N6O2S/c1-12-11-26-8-7-24(12)17-9-16(23-27(2,25)14-4-5-14)21-18(22-17)13-3-6-15(19)20-10-13/h3,6,9-10,12,14H,4-5,7-8,11H2,1-2H3,(H2,19,20)/t12-,27?/m1/s1
PDB

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n/an/a 115n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu...


US Patent US10392376 (2019)


BindingDB Entry DOI: 10.7270/Q2H70J60
More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM411547
PNG
((R)-dimethyl((6-(3- methylmorpholino)-2- (pyridin-...)
Show SMILES C[C@@H]1COCCN1c1cc(N=S(C)(C)=O)nc(n1)-c1ccncc1
Show InChI InChI=1S/C16H21N5O2S/c1-12-11-23-9-8-21(12)15-10-14(20-24(2,3)22)18-16(19-15)13-4-6-17-7-5-13/h4-7,10,12H,8-9,11H2,1-3H3/t12-/m1/s1
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n/an/a 117n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu...


US Patent US10392376 (2019)


BindingDB Entry DOI: 10.7270/Q2H70J60
More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM411442
PNG
(US10392376, Example 14 | US10800769, Example 14)
Show SMILES C[C@@H]1COCCN1c1cc(N=S(C)(C)=O)nc(n1)-c1cc(C)nc(N)c1
Show InChI InChI=1S/C17H24N6O2S/c1-11-7-13(8-14(18)19-11)17-20-15(22-26(3,4)24)9-16(21-17)23-5-6-25-10-12(23)2/h7-9,12H,5-6,10H2,1-4H3,(H2,18,19)/t12-/m1/s1
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n/an/a 122n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu...


US Patent US10392376 (2019)


BindingDB Entry DOI: 10.7270/Q2H70J60
More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM411560
PNG
((R)-((2-(2-amino-6- methoxypyridin-4-yl)-6- (3-met...)
Show SMILES COc1cc(cc(N)n1)-c1nc(cc(n1)N1CCOC[C@H]1C)N=S(C)(C)=O
Show InChI InChI=1S/C17H24N6O3S/c1-11-10-26-6-5-23(11)15-9-14(22-27(3,4)24)20-17(21-15)12-7-13(18)19-16(8-12)25-2/h7-9,11H,5-6,10H2,1-4H3,(H2,18,19)/t11-/m1/s1
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n/an/a 123n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu...


US Patent US10392376 (2019)


BindingDB Entry DOI: 10.7270/Q2H70J60
More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM411531
PNG
((R)-dimethyl((2-(4- methyl-1H-imidazol-1- yl)-6-(3...)
Show SMILES C[C@@H]1COCCN1c1cc(N=S(C)(C)=O)nc(n1)-n1cnc(C)c1
Show InChI InChI=1S/C15H22N6O2S/c1-11-8-20(10-16-11)15-17-13(19-24(3,4)22)7-14(18-15)21-5-6-23-9-12(21)2/h7-8,10,12H,5-6,9H2,1-4H3/t12-/m1/s1
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n/an/a 134n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu...


US Patent US10392376 (2019)


BindingDB Entry DOI: 10.7270/Q2H70J60
More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM411526
PNG
((R)-((2-(6-aminopyridin- 3-yl)-6-(3-methyl- morpho...)
Show SMILES C[C@@H]1COCCN1c1cc(N=S(C)(C)=O)nc(n1)-c1ccc(N)nc1
Show InChI InChI=1S/C16H22N6O2S/c1-11-10-24-7-6-22(11)15-8-14(21-25(2,3)23)19-16(20-15)12-4-5-13(17)18-9-12/h4-5,8-9,11H,6-7,10H2,1-3H3,(H2,17,18)/t11-/m1/s1
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n/an/a 135n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu...


US Patent US10392376 (2019)


BindingDB Entry DOI: 10.7270/Q2H70J60
More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM411528
PNG
((R)-((2-(1H-imidazo[4,5- c]pyridin-1-yl)-6-(3- met...)
Show SMILES C[C@@H]1COCCN1c1cc(N=S(C)(C)=O)nc(n1)-n1cnc2cnccc12
Show InChI InChI=1S/C17H21N7O2S/c1-12-10-26-7-6-23(12)16-8-15(22-27(2,3)25)20-17(21-16)24-11-19-13-9-18-5-4-14(13)24/h4-5,8-9,11-12H,6-7,10H2,1-3H3/t12-/m1/s1
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n/an/a 143n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu...


US Patent US10392376 (2019)


BindingDB Entry DOI: 10.7270/Q2H70J60
More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM411486
PNG
(US10392376, Example 43a | US10392376, Example 43b ...)
Show SMILES C[C@@H]1COCCN1c1cc(N=[S@](C)(=O)C2COC2)nc(n1)-c1ccnc(N)c1
Show InChI InChI=1S/C18H24N6O3S/c1-12-9-26-6-5-24(12)17-8-16(23-28(2,25)14-10-27-11-14)21-18(22-17)13-3-4-20-15(19)7-13/h3-4,7-8,12,14H,5-6,9-11H2,1-2H3,(H2,19,20)/t12-,28-/m1/s1
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n/an/a 153n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu...


US Patent US10392376 (2019)


BindingDB Entry DOI: 10.7270/Q2H70J60
More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM411533
PNG
((R)-((2-(4,5-dimethyl- 1H-imidazol-1-yl)-6-(3- met...)
Show SMILES C[C@@H]1COCCN1c1cc(N=S(C)(C)=O)nc(n1)-n1cnc(C)c1C
Show InChI InChI=1S/C16H24N6O2S/c1-11-9-24-7-6-21(11)15-8-14(20-25(4,5)23)18-16(19-15)22-10-17-12(2)13(22)3/h8,10-11H,6-7,9H2,1-5H3/t11-/m1/s1
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n/an/a 158n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu...


US Patent US10392376 (2019)


BindingDB Entry DOI: 10.7270/Q2H70J60
More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM411567
PNG
(((2-(2-Amino-6- methoxypyridin-4-yl)-6- ((R)-3-met...)
Show SMILES COc1cc(cc(N)n1)-c1nc(cc(n1)N1CCOC[C@H]1C)N=S(C)(=O)C1COC1
Show InChI InChI=1S/C19H26N6O4S/c1-12-9-28-5-4-25(12)17-8-16(24-30(3,26)14-10-29-11-14)22-19(23-17)13-6-15(20)21-18(7-13)27-2/h6-8,12,14H,4-5,9-11H2,1-3H3,(H2,20,21)/t12-,30?/m1/s1
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n/an/a 158n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu...


US Patent US10392376 (2019)


BindingDB Entry DOI: 10.7270/Q2H70J60
More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM411498
PNG
(US10392376, Example 49 | US10800769, Example 49)
Show SMILES C[C@@H]1COCCN1c1cc(N=S(C)(C)=O)nc(n1)-c1cc(N)nc(c1)C(N)=O
Show InChI InChI=1S/C17H23N7O3S/c1-10-9-27-5-4-24(10)15-8-14(23-28(2,3)26)21-17(22-15)11-6-12(16(19)25)20-13(18)7-11/h6-8,10H,4-5,9H2,1-3H3,(H2,18,20)(H2,19,25)/t10-/m1/s1
PDB

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n/an/a 159n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu...


US Patent US10392376 (2019)


BindingDB Entry DOI: 10.7270/Q2H70J60
More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM411443
PNG
(US10392376, Example 15 | US10800769, Example 15)
Show SMILES C[C@@H]1COCCN1c1cc(N=S(C)(C)=O)nc(n1)-c1cc(N)nc(c1)C#N
Show InChI InChI=1S/C17H21N7O2S/c1-11-10-26-5-4-24(11)16-8-15(23-27(2,3)25)21-17(22-16)12-6-13(9-18)20-14(19)7-12/h6-8,11H,4-5,10H2,1-3H3,(H2,19,20)/t11-/m1/s1
PDB

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n/an/a 182n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu...


US Patent US10392376 (2019)


BindingDB Entry DOI: 10.7270/Q2H70J60
More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM411473
PNG
(US10392376, Example 35 | US10800769, Example 35)
Show SMILES C[C@@H]1COCCN1c1cc(N=S(C)(C)=O)nc(n1)-n1cnc2ccc(cc12)C#N
Show InChI InChI=1S/C19H21N7O2S/c1-13-11-28-7-6-25(13)18-9-17(24-29(2,3)27)22-19(23-18)26-12-21-15-5-4-14(10-20)8-16(15)26/h4-5,8-9,12-13H,6-7,11H2,1-3H3/t13-/m1/s1
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n/an/a 195n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu...


US Patent US10392376 (2019)


BindingDB Entry DOI: 10.7270/Q2H70J60
More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM411561
PNG
((R)-6-amino-4-(4- ((dimethyl(oxo)-lambda6- sulfane...)
Show SMILES CNC(=O)c1cc(cc(N)n1)-c1nc(cc(n1)N1CCOC[C@H]1C)N=S(C)(C)=O
Show InChI InChI=1S/C18H25N7O3S/c1-11-10-28-6-5-25(11)16-9-15(24-29(3,4)27)22-17(23-16)12-7-13(18(26)20-2)21-14(19)8-12/h7-9,11H,5-6,10H2,1-4H3,(H2,19,21)(H,20,26)/t11-/m1/s1
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n/an/a 205n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu...


US Patent US10392376 (2019)


BindingDB Entry DOI: 10.7270/Q2H70J60
More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM411515
PNG
((R)-((2-(2-aminopyridin- 4-yl)-6-(3-methyl- morpho...)
Show SMILES C[C@@H]1COCCN1c1cc(N=S(C)(C)=O)nc(n1)-c1ccnc(N)c1
Show InChI InChI=1S/C16H22N6O2S/c1-11-10-24-7-6-22(11)15-9-14(21-25(2,3)23)19-16(20-15)12-4-5-18-13(17)8-12/h4-5,8-9,11H,6-7,10H2,1-3H3,(H2,17,18)/t11-/m1/s1
PDB

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n/an/a 207n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu...


US Patent US10392376 (2019)


BindingDB Entry DOI: 10.7270/Q2H70J60
More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM411546
PNG
((R)-dimethyl((6-(3- methylmorpholino)-2- (pyridin-...)
Show SMILES C[C@@H]1COCCN1c1cc(N=S(C)(C)=O)nc(n1)-c1cccnc1
Show InChI InChI=1S/C16H21N5O2S/c1-12-11-23-8-7-21(12)15-9-14(20-24(2,3)22)18-16(19-15)13-5-4-6-17-10-13/h4-6,9-10,12H,7-8,11H2,1-3H3/t12-/m1/s1
PDB

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n/an/a 208n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu...


US Patent US10392376 (2019)


BindingDB Entry DOI: 10.7270/Q2H70J60
More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM411552
PNG
((R)-dimethyl((6-(3- methylmorpholino)-2-(2- methyl...)
Show SMILES C[C@@H]1COCCN1c1cc(N=S(C)(C)=O)nc(n1)-c1ccnc(C)c1
Show InChI InChI=1S/C17H23N5O2S/c1-12-9-14(5-6-18-12)17-19-15(21-25(3,4)23)10-16(20-17)22-7-8-24-11-13(22)2/h5-6,9-10,13H,7-8,11H2,1-4H3/t13-/m1/s1
PDB

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n/an/a 218n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu...


US Patent US10392376 (2019)


BindingDB Entry DOI: 10.7270/Q2H70J60
More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM411528
PNG
((R)-((2-(1H-imidazo[4,5- c]pyridin-1-yl)-6-(3- met...)
Show SMILES C[C@@H]1COCCN1c1cc(N=S(C)(C)=O)nc(n1)-n1cnc2cnccc12
Show InChI InChI=1S/C17H21N7O2S/c1-12-10-26-7-6-23(12)16-8-15(22-27(2,3)25)20-17(21-16)24-11-19-13-9-18-5-4-14(13)24/h4-5,8-9,11-12H,6-7,10H2,1-3H3/t12-/m1/s1
PDB

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n/an/a 233n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu...


US Patent US10392376 (2019)


BindingDB Entry DOI: 10.7270/Q2H70J60
More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM411517
PNG
((R)-((2-(imidazo[1,2-a]- pyridin-5-yl)-6-(3- methy...)
Show SMILES C[C@@H]1COCCN1c1cc(N=S(C)(C)=O)nc(n1)-c1cccc2nccn12
Show InChI InChI=1S/C18H22N6O2S/c1-13-12-26-10-9-23(13)17-11-15(22-27(2,3)25)20-18(21-17)14-5-4-6-16-19-7-8-24(14)16/h4-8,11,13H,9-10,12H2,1-3H3/t13-/m1/s1
PDB

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n/an/a 244n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu...


US Patent US10392376 (2019)


BindingDB Entry DOI: 10.7270/Q2H70J60
More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM411466
PNG
(US10392376, Example 28 | US10800769, Example 28)
Show SMILES C[C@@H]1COCCN1c1cc(N=S(C)(C)=O)nc(n1)-c1ccnc2[nH]c(C)nc12
PDB

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n/an/a 246n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu...


US Patent US10392376 (2019)


BindingDB Entry DOI: 10.7270/Q2H70J60
More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM411449
PNG
(US10392376, Example 18a | US10392376, Example 18b ...)
Show SMILES COc1cc(cc(N)n1)-c1nc(cc(n1)N1CCOC[C@H]1C)N=[S@](C)(=O)C1CC1
Show InChI InChI=1S/C19H26N6O3S/c1-12-11-28-7-6-25(12)17-10-16(24-29(3,26)14-4-5-14)22-19(23-17)13-8-15(20)21-18(9-13)27-2/h8-10,12,14H,4-7,11H2,1-3H3,(H2,20,21)/t12-,29-/m1/s1
PDB

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n/an/a 258n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu...


US Patent US10392376 (2019)


BindingDB Entry DOI: 10.7270/Q2H70J60
More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM411470
PNG
(US10392376, Example 32 | US10800769, Example 32)
Show SMILES CS(C)(=O)=Nc1cc(nc(n1)-c1ccnc2[nH]ccc12)N1CCOC[C@H]1CF
PDB

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n/an/a 259n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu...


US Patent US10392376 (2019)


BindingDB Entry DOI: 10.7270/Q2H70J60
More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM411566
PNG
((R)-((2-(2-amino-6- ethoxypyridin-4-yl)-6-(3- meth...)
Show SMILES CCOc1cc(cc(N)n1)-c1nc(cc(n1)N1CCOC[C@H]1C)N=S(C)(C)=O
Show InChI InChI=1S/C18H26N6O3S/c1-5-27-17-9-13(8-14(19)20-17)18-21-15(23-28(3,4)25)10-16(22-18)24-6-7-26-11-12(24)2/h8-10,12H,5-7,11H2,1-4H3,(H2,19,20)/t12-/m1/s1
PDB

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n/an/a 277n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu...


US Patent US10392376 (2019)


BindingDB Entry DOI: 10.7270/Q2H70J60
More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM411484
PNG
(US10392376, Example 42a | US10392376, Example 42b ...)
Show SMILES C[C@@H]1COCCN1c1cc(N=[S@](C)(=O)C2CC2)nc(n1)-c1cc(N)nc(Cl)c1
Show InChI InChI=1S/C18H23ClN6O2S/c1-11-10-27-6-5-25(11)17-9-16(24-28(2,26)13-3-4-13)22-18(23-17)12-7-14(19)21-15(20)8-12/h7-9,11,13H,3-6,10H2,1-2H3,(H2,20,21)/t11-,28-/m1/s1
PDB

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n/an/a 284n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu...


US Patent US10392376 (2019)


BindingDB Entry DOI: 10.7270/Q2H70J60
More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM411475
PNG
(US10392376, Example 37 | US10800769, Example 37)
Show SMILES C[C@@H]1COCCN1c1cc(N=S(C)(=O)C2COC2)nc(n1)-c1ccnc(N)c1
Show InChI InChI=1S/C18H24N6O3S/c1-12-9-26-6-5-24(12)17-8-16(23-28(2,25)14-10-27-11-14)21-18(22-17)13-3-4-20-15(19)7-13/h3-4,7-8,12,14H,5-6,9-11H2,1-2H3,(H2,19,20)/t12-,28?/m1/s1
PDB

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n/an/a 306n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu...


US Patent US10392376 (2019)


BindingDB Entry DOI: 10.7270/Q2H70J60
More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM411564
PNG
((R)-((2-(2-methoxy- pyridin-4-yl)-6-(3- methylmorp...)
Show SMILES COc1cc(ccn1)-c1nc(cc(n1)N1CCOC[C@H]1C)N=S(C)(C)=O
Show InChI InChI=1S/C17H23N5O3S/c1-12-11-25-8-7-22(12)15-10-14(21-26(3,4)23)19-17(20-15)13-5-6-18-16(9-13)24-2/h5-6,9-10,12H,7-8,11H2,1-4H3/t12-/m1/s1
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n/an/a 307n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu...


US Patent US10392376 (2019)


BindingDB Entry DOI: 10.7270/Q2H70J60
More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM411536
PNG
((R)-dimethyl((6-(3- methylmorpholino)-2-(2- (2,2,2...)
Show SMILES C[C@@H]1COCCN1c1cc(N=S(C)(C)=O)nc(n1)-c1ccnc2[nH]c(OCC(F)(F)F)cc12
PDB

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n/an/a 316n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu...


US Patent US10392376 (2019)


BindingDB Entry DOI: 10.7270/Q2H70J60
More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM411543
PNG
((R)-((2-(7-fluoro-2- methyl-1H-benzo[d]- imidazol-...)
Show SMILES C[C@@H]1COCCN1c1cc(N=S(C)(C)=O)nc(n1)-n1c(C)nc2cccc(F)c12
Show InChI InChI=1S/C19H23FN6O2S/c1-12-11-28-9-8-25(12)17-10-16(24-29(3,4)27)22-19(23-17)26-13(2)21-15-7-5-6-14(20)18(15)26/h5-7,10,12H,8-9,11H2,1-4H3/t12-/m1/s1
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n/an/a 326n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu...


US Patent US10392376 (2019)


BindingDB Entry DOI: 10.7270/Q2H70J60
More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM411540
PNG
((R)-((2-(2-chloro-1H- imidazol-1-yl)-6-(3- methylm...)
Show SMILES C[C@@H]1COCCN1c1cc(N=S(C)(C)=O)nc(n1)-n1ccnc1Cl
Show InChI InChI=1S/C14H19ClN6O2S/c1-10-9-23-7-6-20(10)12-8-11(19-24(2,3)22)17-14(18-12)21-5-4-16-13(21)15/h4-5,8,10H,6-7,9H2,1-3H3/t10-/m1/s1
PDB

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n/an/a 334n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu...


US Patent US10392376 (2019)


BindingDB Entry DOI: 10.7270/Q2H70J60
More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM411530
PNG
((R)-((2-(1H-imidazol-1- yl)-6-(3-methyl- morpholin...)
Show SMILES C[C@@H]1COCCN1c1cc(N=S(C)(C)=O)nc(n1)-n1ccnc1
Show InChI InChI=1S/C14H20N6O2S/c1-11-9-22-7-6-20(11)13-8-12(18-23(2,3)21)16-14(17-13)19-5-4-15-10-19/h4-5,8,10-11H,6-7,9H2,1-3H3/t11-/m1/s1
PDB

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n/an/a 353n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu...


US Patent US10392376 (2019)


BindingDB Entry DOI: 10.7270/Q2H70J60
More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM411486
PNG
(US10392376, Example 43a | US10392376, Example 43b ...)
Show SMILES C[C@@H]1COCCN1c1cc(N=[S@](C)(=O)C2COC2)nc(n1)-c1ccnc(N)c1
Show InChI InChI=1S/C18H24N6O3S/c1-12-9-26-6-5-24(12)17-8-16(23-28(2,25)14-10-27-11-14)21-18(22-17)13-3-4-20-15(19)7-13/h3-4,7-8,12,14H,5-6,9-11H2,1-2H3,(H2,19,20)/t12-,28-/m1/s1
PDB

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n/an/a 387n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu...


US Patent US10392376 (2019)


BindingDB Entry DOI: 10.7270/Q2H70J60
More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM411465
PNG
(US10392376, Example 27 | US10800769, Example 27)
Show SMILES C[C@@H]1COCCN1c1cc(N=S(C)(C)=O)nc(n1)-c1ccnc2[nH]c(cc12)C1CC1
PDB

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n/an/a 405n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu...


US Patent US10392376 (2019)


BindingDB Entry DOI: 10.7270/Q2H70J60
More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM411492
PNG
(US10392376, Example 45a | US10392376, Example 45b ...)
Show SMILES COc1cc(cc(N)n1)-c1nc(cc(n1)N1CCOC[C@H]1C)N=[S@](C)(=O)C1COC1
Show InChI InChI=1S/C19H26N6O4S/c1-12-9-28-5-4-25(12)17-8-16(24-30(3,26)14-10-29-11-14)22-19(23-17)13-6-15(20)21-18(7-13)27-2/h6-8,12,14H,4-5,9-11H2,1-3H3,(H2,20,21)/t12-,30-/m1/s1
PDB

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n/an/a 419n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu...


US Patent US10392376 (2019)


BindingDB Entry DOI: 10.7270/Q2H70J60
More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM411538
PNG
((R)-((2-(2,5-dimethyl- 1H-imidazol-1-yl)-6-(3- met...)
Show SMILES C[C@@H]1COCCN1c1cc(N=S(C)(C)=O)nc(n1)-n1c(C)cnc1C
Show InChI InChI=1S/C16H24N6O2S/c1-11-9-17-13(3)22(11)16-18-14(20-25(4,5)23)8-15(19-16)21-6-7-24-10-12(21)2/h8-9,12H,6-7,10H2,1-5H3/t12-/m1/s1
PDB

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n/an/a 435n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu...


US Patent US10392376 (2019)


BindingDB Entry DOI: 10.7270/Q2H70J60
More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM411563
PNG
((R)-dimethyl((6-(3- methylmorpholino)-2- (1H-pyraz...)
Show SMILES C[C@@H]1COCCN1c1cc(N=S(C)(C)=O)nc(n1)-c1cc[nH]n1
PDB

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n/an/a 480n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu...


US Patent US10392376 (2019)


BindingDB Entry DOI: 10.7270/Q2H70J60
More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM411499
PNG
(US10392376, Example 50 | US10800769, Example 50)
Show SMILES CCNC(=O)c1cc(cc(N)n1)-c1nc(cc(n1)N1CCOC[C@H]1C)N=S(C)(C)=O
Show InChI InChI=1S/C19H27N7O3S/c1-5-21-19(27)14-8-13(9-15(20)22-14)18-23-16(25-30(3,4)28)10-17(24-18)26-6-7-29-11-12(26)2/h8-10,12H,5-7,11H2,1-4H3,(H2,20,22)(H,21,27)/t12-/m1/s1
PDB

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n/an/a 486n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu...


US Patent US10392376 (2019)


BindingDB Entry DOI: 10.7270/Q2H70J60
More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM411478
PNG
(US10392376, Example 39a | US10392376, Example 39b ...)
Show SMILES C[C@@H]1COCCN1c1cc(N=[S@](C)(=O)C2CC2)nc(n1)-c1ccnc(N)c1
Show InChI InChI=1S/C18H24N6O2S/c1-12-11-26-8-7-24(12)17-10-16(23-27(2,25)14-3-4-14)21-18(22-17)13-5-6-20-15(19)9-13/h5-6,9-10,12,14H,3-4,7-8,11H2,1-2H3,(H2,19,20)/t12-,27-/m1/s1
PDB

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n/an/a 525n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu...


US Patent US10392376 (2019)


BindingDB Entry DOI: 10.7270/Q2H70J60
More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM411571
PNG
((R)-((2'-amino-6-(3- methylmorpholino)-[2,4'- bipy...)
Show SMILES C[C@@H]1COCCN1c1cc(N=S(C)(C)=O)nc(n1)-c1ccnc(N)n1
Show InChI InChI=1S/C15H21N7O2S/c1-10-9-24-7-6-22(10)13-8-12(21-25(2,3)23)19-14(20-13)11-4-5-17-15(16)18-11/h4-5,8,10H,6-7,9H2,1-3H3,(H2,16,17,18)/t10-/m1/s1
PDB

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n/an/a 594n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu...


US Patent US10392376 (2019)


BindingDB Entry DOI: 10.7270/Q2H70J60
More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM411572
PNG
((R)-((2-(2- hydroxypyridin-4-yl)-6- (3-methylmorph...)
Show SMILES C[C@@H]1COCCN1c1cc(N=S(C)(C)=O)nc(n1)-c1ccnc(O)c1
Show InChI InChI=1S/C16H21N5O3S/c1-11-10-24-7-6-21(11)14-9-13(20-25(2,3)23)18-16(19-14)12-4-5-17-15(22)8-12/h4-5,8-9,11H,6-7,10H2,1-3H3,(H,17,22)/t11-/m1/s1
PDB

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n/an/a 821n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu...


US Patent US10392376 (2019)


BindingDB Entry DOI: 10.7270/Q2H70J60
More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM411503
PNG
(US10392376, Example 54 | US10800769, Example 54)
Show SMILES C[C@@H]1COCCN1c1cc(N=S(C)(C)=O)nc(n1)-c1cncn1C
Show InChI InChI=1S/C15H22N6O2S/c1-11-9-23-6-5-21(11)14-7-13(19-24(3,4)22)17-15(18-14)12-8-16-10-20(12)2/h7-8,10-11H,5-6,9H2,1-4H3/t11-/m1/s1
PDB

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n/an/a 978n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu...


US Patent US10392376 (2019)


BindingDB Entry DOI: 10.7270/Q2H70J60
More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM411539
PNG
((R)-dimethyl((6-(3- methylmorpholino)-2-(2- (trifl...)
Show SMILES C[C@@H]1COCCN1c1cc(N=S(C)(C)=O)nc(n1)-c1ccnc2[nH]c(nc12)C(F)(F)F
PDB

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n/an/a 1.07E+3n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


Assay Description
Human full-length FLAG-TEV-ATR and His6-ATRIP were co-expressed in HEK293 cells. The cell pellet (20 g) was harvested and lysed in 100 mL of lysis bu...


US Patent US10392376 (2019)


BindingDB Entry DOI: 10.7270/Q2H70J60
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%