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Compile Data Set for Download or QSAR

Found 238 hits of ic50 for UniProtKB: A0A024R2U4   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
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))
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))
BDBM411502
PNG
(US10392376, 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))
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))
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))
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)
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))
BDBM50465364
PNG
(CHEMBL4284592)
Show SMILES CNc1cnc2[nH]ccc2c1-c1nc2N3[C@H](C)COC[C@H]3COc2c(n1)C(C)(C)S(C)(=O)=O
Show InChI InChI=1S/C22H28N6O4S/c1-12-9-31-10-13-11-32-17-18(22(2,3)33(5,29)30)26-20(27-21(17)28(12)13)16-14-6-7-24-19(14)25-8-15(16)23-4/h6-8,12-13,23H,9-11H2,1-5H3,(H,24,25)/t12-,13+/m1/s1
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n/an/a<1n/an/an/an/an/an/a



Therachem Research Medilab LLC

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length ATR/ATRIP expressed in mammalian expression system using c-Myc-tagged p53 as substrate incubated for 15 m...


ACS Med Chem Lett 9: 292-293 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00107
BindingDB Entry DOI: 10.7270/Q21J9DFN
More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM50465365
PNG
(CHEMBL4295245)
Show SMILES CNc1cnc2[nH]ccc2c1-c1nc2N3[C@H](C)COC[C@H]3COc2c(n1)C(C)(C)O
Show InChI InChI=1S/C21H26N6O3/c1-11-8-29-9-12-10-30-16-17(21(2,3)28)25-19(26-20(16)27(11)12)15-13-5-6-23-18(13)24-7-14(15)22-4/h5-7,11-12,22,28H,8-10H2,1-4H3,(H,23,24)/t11-,12+/m1/s1
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n/an/a<1n/an/an/an/an/an/a



Therachem Research Medilab LLC

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length ATR/ATRIP expressed in mammalian expression system using c-Myc-tagged p53 as substrate incubated for 15 m...


ACS Med Chem Lett 9: 292-293 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00107
BindingDB Entry DOI: 10.7270/Q21J9DFN
More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM50465367
PNG
(CHEMBL4293269)
Show SMILES CCNc1cnc2[nH]ccc2c1-c1nc2N3[C@H](C)COC[C@H]3COc2c(n1)C(C)(C)S(C)(=O)=O
Show InChI InChI=1S/C23H30N6O4S/c1-6-24-16-9-26-20-15(7-8-25-20)17(16)21-27-19(23(3,4)34(5,30)31)18-22(28-21)29-13(2)10-32-11-14(29)12-33-18/h7-9,13-14,24H,6,10-12H2,1-5H3,(H,25,26)/t13-,14+/m1/s1
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n/an/a 1n/an/an/an/an/an/a



Therachem Research Medilab LLC

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length ATR/ATRIP expressed in mammalian expression system using c-Myc-tagged p53 as substrate incubated for 15 m...


ACS Med Chem Lett 9: 292-293 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00107
BindingDB Entry DOI: 10.7270/Q21J9DFN
More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM50465369
PNG
(CHEMBL4280068)
Show SMILES CNc1nc2ccccc2n1-c1nc2N3[C@H](C)COC[C@H]3COc2c(n1)C(C)(C)S(C)(=O)=O
Show InChI InChI=1S/C22H28N6O4S/c1-13-10-31-11-14-12-32-17-18(22(2,3)33(5,29)30)25-21(26-19(17)27(13)14)28-16-9-7-6-8-15(16)24-20(28)23-4/h6-9,13-14H,10-12H2,1-5H3,(H,23,24)/t13-,14+/m1/s1
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n/an/a<1n/an/an/an/an/an/a



Therachem Research Medilab LLC

Curated by ChEMBL


Assay Description
Inhibition of recombinant human full length ATR/ATRIP expressed in mammalian expression system using c-Myc-tagged p53 as substrate incubated for 15 m...


ACS Med Chem Lett 9: 292-293 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00107
BindingDB Entry DOI: 10.7270/Q21J9DFN
More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM411427
PNG
(US10392376, 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)
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))
BDBM411429
PNG
(US10392376, Example 3 | diethyl ({6-[(3R)-3- methy...)
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))
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))
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))
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
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))
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))
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))
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
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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))
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
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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
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)
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
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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))
BDBM411472
PNG
(US10392376, 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
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))
BDBM411444
PNG
(US10392376, 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))
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))
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))
BDBM411496
PNG
(US10392376, 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))
BDBM411433
PNG
(US10392376, Example 7 | methyl ethyl ({6-[(3R)-3- ...)
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))
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))
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))
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))
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))
BDBM411439
PNG
(US10392376, 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))
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))
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))
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 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))
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))
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)
Show SMILES C[C@@H]1COCCN1c1cc(N=S(C)(C)=O)nc(n1)-c1ccnc2[nH]c(C)cc12
PDB

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US Patent
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
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