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Patent code US10894052

Compile Data Set for Download or QSAR
Found 36 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))
BDBM478115
PNG
((R)-Dimethyl((6-(2-(methylamino)- 1H-benzo[d]imida...)
Show SMILES CNc1nc2ccccc2n1-c1cc(cc(N=S(C)(C)=O)n1)N1CCOC[C@H]1C
Show InChI InChI=1S/C20H26N6O2S/c1-14-13-28-10-9-25(14)15-11-18(24-29(3,4)27)23-19(12-15)26-17-8-6-5-7-16(17)22-20(26)21-2/h5-8,11-12,14H,9-10,13H2,1-4H3,(H,21,22)/t14-/m1/s1
PDB

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n/an/a 1n/an/an/an/an/an/a



Board of Regents, The University of Texas System; ChemPartner Corporation

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 US10894052 (2021)

More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM478114
PNG
((R)-((6-(2-Amino-1H- benzo[d]imidazol-1-yl)-4-(3- ...)
Show SMILES C[C@@H]1COCCN1c1cc(N=S(C)(C)=O)nc(c1)-n1c(N)nc2ccccc12
Show InChI InChI=1S/C19H24N6O2S/c1-13-12-27-9-8-24(13)14-10-17(23-28(2,3)26)22-18(11-14)25-16-7-5-4-6-15(16)21-19(25)20/h4-7,10-11,13H,8-9,12H2,1-3H3,(H2,20,21)/t13-/m1/s1
PDB

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n/an/a 1n/an/an/an/an/an/a



Board of Regents, The University of Texas System; ChemPartner Corporation

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 US10894052 (2021)

More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM478135
PNG
(US10894052, Example 29 | diethyl({6-[(3R)-3-methyl...)
Show SMILES CCS(=O)(CC)=Nc1cc(cc(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; ChemPartner Corporation

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 US10894052 (2021)

More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM478108
PNG
((S)-cyclopropyl(methyl)((4-((R)-3-methylmorpholino...)
Show SMILES C[C@@H]1COCCN1c1cc(N=[S@@](C)(=O)C2CC2)nc(c1)-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; ChemPartner Corporation

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 US10894052 (2021)

More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM478124
PNG
(US10894052, Example 19)
Show SMILES CCOc1cc(-c2cc(cc(N=S(C)(C)=O)n2)N2CCOC[C@@H]2C)c2cc[nH]c2n1
PDB

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



Board of Regents, The University of Texas System; ChemPartner Corporation

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 US10894052 (2021)

More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM478140
PNG
((R)-((6-(6-fluoro-1H-indol-4-yl)-4-(3- methylmorph...)
Show SMILES C[C@@H]1COCCN1c1cc(N=S(C)(C)=O)nc(c1)-c1cc(F)cc2[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; ChemPartner Corporation

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 US10894052 (2021)

More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM478111
PNG
((R)-((6-(2-(difluoromethyl)-1H- benzo[d]imidazol- ...)
Show SMILES C[C@@H]1COCCN1c1cc(N=S(C)(C)=O)nc(c1)-n1c(nc2ccccc12)C(F)F
Show InChI InChI=1S/C20H23F2N5O2S/c1-13-12-29-9-8-26(13)14-10-17(25-30(2,3)28)24-18(11-14)27-16-7-5-4-6-15(16)23-20(27)19(21)22/h4-7,10-11,13,19H,8-9,12H2,1-3H3/t13-/m1/s1
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n/an/a 5n/an/an/an/an/an/a



Board of Regents, The University of Texas System; ChemPartner Corporation

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 US10894052 (2021)

More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM478113
PNG
((R)-((6-(2-(Fluoromethyl)-1H- benzo[dr]imidazol-1-...)
Show SMILES C[C@@H]1COCCN1c1cc(N=S(C)(C)=O)nc(c1)-n1c(CF)nc2ccccc12
Show InChI InChI=1S/C20H24FN5O2S/c1-14-13-28-9-8-25(14)15-10-18(24-29(2,3)27)23-19(11-15)26-17-7-5-4-6-16(17)22-20(26)12-21/h4-7,10-11,14H,8-9,12-13H2,1-3H3/t14-/m1/s1
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n/an/a 5n/an/an/an/an/an/a



Board of Regents, The University of Texas System; ChemPartner Corporation

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 US10894052 (2021)

More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM478126
PNG
(US10894052, Example 21 | US10894052, Example 22 | ...)
Show SMILES C[C@@H]1COCCN1c1cc(N=S(C)(=O)C2CC2)nc(c1)-c1cncc2[nH]ccc12
PDB

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



Board of Regents, The University of Texas System; ChemPartner Corporation

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 US10894052 (2021)

More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM478128
PNG
((R)-((6-(1H-benzo[d]imidazol-4-yl)-4- (3-methylmor...)
Show SMILES C[C@@H]1COCCN1c1cc(N=S(C)(C)=O)nc(c1)-c1cccc2[nH]cnc12
PDB

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



Board of Regents, The University of Texas System; ChemPartner Corporation

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 US10894052 (2021)

More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM478131
PNG
((R)-1-((4-(3-methylmorpholino)-6- (1H-pyrrolo[2,3-...)
Show SMILES C[C@@H]1COCCN1c1cc(N=S2(=O)CCCC2)nc(c1)-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; ChemPartner Corporation

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 US10894052 (2021)

More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM478138
PNG
(1-({6-[(3R)-3-methylmorpholin-4-yl]- 2-{1H-pyrrolo...)
Show SMILES C[C@@H]1COCCN1c1cc(N=S2(=O)CCOCC2)nc(c1)-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; ChemPartner Corporation

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 US10894052 (2021)

More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM478121
PNG
(US10894052, Example 16 | cyclopropyl(methyl)((4-((...)
Show SMILES C[C@@H]1COCCN1c1cc(N=S(C)(=O)C2CC2)nc(c1)-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; ChemPartner Corporation

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 US10894052 (2021)

More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM478130
PNG
((R)-1-((4-(3-methylmorpholino)-6- (1H-pyrrolo[2,3-...)
Show SMILES C[C@@H]1COCCN1c1cc(N=S2(=O)CCC2)nc(c1)-c1ccnc2[nH]ccc12
PDB

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n/an/a 9n/an/an/an/an/an/a



Board of Regents, The University of Texas System; ChemPartner Corporation

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 US10894052 (2021)

More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM478126
PNG
(US10894052, Example 21 | US10894052, Example 22 | ...)
Show SMILES C[C@@H]1COCCN1c1cc(N=S(C)(=O)C2CC2)nc(c1)-c1cncc2[nH]ccc12
PDB

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n/an/a 9n/an/an/an/an/an/a



Board of Regents, The University of Texas System; ChemPartner Corporation

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 US10894052 (2021)

More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM478116
PNG
((R)-((6-(1H-benzo[d]imidazol-1-yl)-4- (3-methylmor...)
Show SMILES C[C@@H]1COCCN1c1cc(N=S(C)(C)=O)nc(c1)-n1cnc2ccccc12
Show InChI InChI=1S/C19H23N5O2S/c1-14-12-26-9-8-23(14)15-10-18(22-27(2,3)25)21-19(11-15)24-13-20-16-6-4-5-7-17(16)24/h4-7,10-11,13-14H,8-9,12H2,1-3H3/t14-/m1/s1
PDB

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n/an/a 9n/an/an/an/an/an/a



Board of Regents, The University of Texas System; ChemPartner Corporation

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 US10894052 (2021)

More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM478118
PNG
((R)-dimethyl((4-(3 - methylmorpholino)-6-(1H- pyrr...)
Show SMILES C[C@@H]1COCCN1c1cc(N=S(C)(C)=O)nc(c1)-c1cncc2[nH]ccc12
PDB

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n/an/a 9n/an/an/an/an/an/a



Board of Regents, The University of Texas System; ChemPartner Corporation

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 US10894052 (2021)

More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM478105
PNG
((R)-Dimethyl((4-(3- methylmorpholino)-6-(1H- pyrro...)
Show SMILES C[C@@H]1COCCN1c1cc(N=S(C)(C)=O)nc(c1)-c1ccnc2[nH]ccc12
PDB

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n/an/a 10n/an/an/an/an/an/a



Board of Regents, The University of Texas System; ChemPartner Corporation

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 US10894052 (2021)

More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM478117
PNG
((R)-dimethyl((6-(2-methyl-1H - pyrrolo[2,3-b]pyrid...)
Show SMILES C[C@@H]1COCCN1c1cc(N=S(C)(C)=O)nc(c1)-c1ccnc2[nH]c(C)cc12
PDB

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n/an/a 11n/an/an/an/an/an/a



Board of Regents, The University of Texas System; ChemPartner Corporation

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 US10894052 (2021)

More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM478125
PNG
((R)-((6-(1H-indol-4-yl)-4-(3- methylmorpholino)pyr...)
Show SMILES C[C@@H]1COCCN1c1cc(N=S(C)(C)=O)nc(c1)-c1cccc2[nH]ccc12
PDB

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n/an/a 12n/an/an/an/an/an/a



Board of Regents, The University of Texas System; ChemPartner Corporation

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 US10894052 (2021)

More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM478122
PNG
(US10894052, Example 17 | methyl((4-((R)-3-methylmo...)
Show SMILES C[C@@H]1COCCN1c1cc(N=S(C)(=O)C2COC2)nc(c1)-c1ccnc2[nH]ccc12
PDB

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n/an/a 12n/an/an/an/an/an/a



Board of Regents, The University of Texas System; ChemPartner Corporation

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 US10894052 (2021)

More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM478112
PNG
((R)-((6-(2-(Hydroxymethyl)-1H- benzo[d]imidazol-1-...)
Show SMILES C[C@@H]1COCCN1c1cc(N=S(C)(C)=O)nc(c1)-n1c(CO)nc2ccccc12
Show InChI InChI=1S/C20H25N5O3S/c1-14-13-28-9-8-24(14)15-10-18(23-29(2,3)27)22-19(11-15)25-17-7-5-4-6-16(17)21-20(25)12-26/h4-7,10-11,14,26H,8-9,12-13H2,1-3H3/t14-/m1/s1
PDB

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n/an/a 16n/an/an/an/an/an/a



Board of Regents, The University of Texas System; ChemPartner Corporation

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 US10894052 (2021)

More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM478134
PNG
((R)-dimethyl((6-(2-methyl-1H- benzo[d]imidazol-1-y...)
Show SMILES C[C@@H]1COCCN1c1cc(N=S(C)(C)=O)nc(c1)-n1c(C)nc2ccccc12
Show InChI InChI=1S/C20H25N5O2S/c1-14-13-27-10-9-24(14)16-11-19(23-28(3,4)26)22-20(12-16)25-15(2)21-17-7-5-6-8-18(17)25/h5-8,11-12,14H,9-10,13H2,1-4H3/t14-/m1/s1
PDB

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



Board of Regents, The University of Texas System; ChemPartner Corporation

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 US10894052 (2021)

More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM478129
PNG
(US10894052, Example 24 | methyl((4-((R)-3-methylmo...)
Show SMILES C[C@@H]1COCCN1c1cc(N=S(C)(=O)C2COC2)nc(c1)-c1cncc2[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; ChemPartner Corporation

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 US10894052 (2021)

More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM478123
PNG
((R)-((6-(6-ethoxy-1H-pyrrolo [2,3-b]pyridin-4-yl)-...)
Show SMILES CCOc1cc(-c2cc(cc(N=S(C)(C)=O)n2)N2CCOC[C@H]2C)c2cc[nH]c2n1
PDB

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n/an/a 29n/an/an/an/an/an/a



Board of Regents, The University of Texas System; ChemPartner Corporation

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 US10894052 (2021)

More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM478133
PNG
((R)-((6-(6-chloro-1H-pyrrolo[2,3- b]pyridin-4-yl)-...)
Show SMILES C[C@@H]1COCCN1c1cc(N=S(C)(C)=O)nc(c1)-c1cc(Cl)nc2[nH]ccc12
PDB

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UniChem
US Patent
n/an/a 30n/an/an/an/an/an/a



Board of Regents, The University of Texas System; ChemPartner Corporation

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 US10894052 (2021)

More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM478107
PNG
((R)-Cyclopropyl(methyl)((4-((R)-3-methylmorpholino...)
Show SMILES C[C@@H]1COCCN1c1cc(N=[S@](C)(=O)C2CC2)nc(c1)-c1ccnc2[nH]ccc12
PDB

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US Patent
n/an/a 31n/an/an/an/an/an/a



Board of Regents, The University of Texas System; ChemPartner Corporation

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 US10894052 (2021)

More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM478110
PNG
((R)-((6-(3H-imidazo[4,5-b]pyridin-3- yl)-4-(3-meth...)
Show SMILES C[C@@H]1COCCN1c1cc(N=S(C)(C)=O)nc(c1)-n1cnc2cccnc12
Show InChI InChI=1S/C18H22N6O2S/c1-13-11-26-8-7-23(13)14-9-16(22-27(2,3)25)21-17(10-14)24-12-20-15-5-4-6-19-18(15)24/h4-6,9-10,12-13H,7-8,11H2,1-3H3/t13-/m1/s1
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US Patent
n/an/a 44n/an/an/an/an/an/a



Board of Regents, The University of Texas System; ChemPartner Corporation

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 US10894052 (2021)

More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM478119
PNG
((R)-((6-(6-methoxy-1H-pyrrolo [2,3-b]pyridin-4-yl)...)
Show SMILES COc1cc(-c2cc(cc(N=S(C)(C)=O)n2)N2CCOC[C@H]2C)c2cc[nH]c2n1
PDB

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US Patent
n/an/a 48n/an/an/an/an/an/a



Board of Regents, The University of Texas System; ChemPartner Corporation

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 US10894052 (2021)

More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM478106
PNG
((R)-((6-(3H-imidazo[4,5-b]pyridin-7- yl)-4-(3-meth...)
Show SMILES C[C@@H]1COCCN1c1cc(N=S(C)(C)=O)nc(c1)-c1ccnc2[nH]cnc12
PDB

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US Patent
n/an/a 118n/an/an/an/an/an/a



Board of Regents, The University of Texas System; ChemPartner Corporation

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 US10894052 (2021)

More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM478120
PNG
((R)-((2'-amino-4-(3- methylmorpholino)-[2,4'-bipyr...)
Show SMILES C[C@@H]1COCCN1c1cc(N=S(C)(C)=O)nc(c1)-c1ccnc(N)c1
Show InChI InChI=1S/C17H23N5O2S/c1-12-11-24-7-6-22(12)14-9-15(13-4-5-19-16(18)8-13)20-17(10-14)21-25(2,3)23/h4-5,8-10,12H,6-7,11H2,1-3H3,(H2,18,19)/t12-/m1/s1
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US Patent
n/an/a 372n/an/an/an/an/an/a



Board of Regents, The University of Texas System; ChemPartner Corporation

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 US10894052 (2021)

More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM478109
PNG
((R)-dimethyl((6-(2-methyl-3H- imidazo[4,5-b]pyridi...)
Show SMILES C[C@@H]1COCCN1c1cc(N=S(C)(C)=O)nc(c1)-n1c(C)nc2cccnc12
Show InChI InChI=1S/C19H24N6O2S/c1-13-12-27-9-8-24(13)15-10-17(23-28(3,4)26)22-18(11-15)25-14(2)21-16-6-5-7-20-19(16)25/h5-7,10-11,13H,8-9,12H2,1-4H3/t13-/m1/s1
PDB

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US Patent
n/an/a 986n/an/an/an/an/an/a



Board of Regents, The University of Texas System; ChemPartner Corporation

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 US10894052 (2021)

More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM478141
PNG
((R)-dimethyl((6-(1-methyl-1H- pyrazol-5-yl)-4-(3- ...)
Show SMILES C[C@@H]1COCCN1c1cc(N=S(C)(C)=O)nc(c1)-c1ccnn1C
Show InChI InChI=1S/C16H23N5O2S/c1-12-11-23-8-7-21(12)13-9-14(15-5-6-17-20(15)2)18-16(10-13)19-24(3,4)22/h5-6,9-10,12H,7-8,11H2,1-4H3/t12-/m1/s1
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US Patent
n/an/a 1.85E+3n/an/an/an/an/an/a



Board of Regents, The University of Texas System; ChemPartner Corporation

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 US10894052 (2021)

More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM478143
PNG
((R)-dimethyl((6-(1-methyl-1H- pyrazol-4-yl)-4-(3- ...)
Show SMILES C[C@@H]1COCCN1c1cc(N=S(C)(C)=O)nc(c1)-c1cnn(C)c1
Show InChI InChI=1S/C16H23N5O2S/c1-12-11-23-6-5-21(12)14-7-15(13-9-17-20(2)10-13)18-16(8-14)19-24(3,4)22/h7-10,12H,5-6,11H2,1-4H3/t12-/m1/s1
PDB

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US Patent
n/an/a 3.44E+3n/an/an/an/an/an/a



Board of Regents, The University of Texas System; ChemPartner Corporation

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 US10894052 (2021)

More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM478144
PNG
((R)-dimethyl((6-(2-methyl-1H- imidazol-1-yl)-4-(3-...)
Show SMILES C[C@@H]1COCCN1c1cc(N=S(C)(C)=O)nc(c1)-n1ccnc1C
Show InChI InChI=1S/C16H23N5O2S/c1-12-11-23-8-7-20(12)14-9-15(19-24(3,4)22)18-16(10-14)21-6-5-17-13(21)2/h5-6,9-10,12H,7-8,11H2,1-4H3/t12-/m1/s1
PDB

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US Patent
n/an/a 3.47E+3n/an/an/an/an/an/a



Board of Regents, The University of Texas System; ChemPartner Corporation

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 US10894052 (2021)

More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM478139
PNG
((R)-dimethyl((6-(1-methyl-1H- imidazol-2-yl)-4-(3-...)
Show SMILES C[C@@H]1COCCN1c1cc(N=S(C)(C)=O)nc(c1)-c1nccn1C
Show InChI InChI=1S/C16H23N5O2S/c1-12-11-23-8-7-21(12)13-9-14(16-17-5-6-20(16)2)18-15(10-13)19-24(3,4)22/h5-6,9-10,12H,7-8,11H2,1-4H3/t12-/m1/s1
PDB

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US Patent
n/an/a 3.47E+3n/an/an/an/an/an/a



Board of Regents, The University of Texas System; ChemPartner Corporation

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 US10894052 (2021)

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