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Patent code US10800774

Compile Data Set for Download or QSAR
Found 64 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))
BDBM466901
PNG
(US10800774, Example 4)
Show SMILES C[C@@H]1COCCN1c1cc(nc(n1)-c1ccnc2[nH]ccc12)C1CCN(CC1)S(C)(=O)=O
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 US10800774 (2020)

More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM466924
PNG
((3R)-4-{6-[1-(Cyclopropane- sulfonyl)piperidin-4-y...)
Show SMILES C[C@@H]1COCCN1c1cc(nc(n1)-c1ccnc2[nH]ccc12)C1CCN(CC1)S(=O)(=O)C1CC1
PDB

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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 US10800774 (2020)

More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM466908
PNG
(2-Methyl-6-{6-[(3R)-3- methylmorpholin-4-yl]-2- {1...)
Show SMILES C[C@@H]1COCCN1c1cc(nc(n1)-c1ccnc2[nH]ccc12)N1CCCN(C)S1(=O)=O
PDB

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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 US10800774 (2020)

More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM466931
PNG
(US10800774, Example 30a)
Show SMILES C[C@@H]1COCCN1c1cc(nc(n1)-c1ccnc2[nH]ccc12)[C@]1(C)CCCS1(=O)=O
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 US10800774 (2020)

More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM466933
PNG
(US10800774, Example 30b)
Show SMILES C[C@@H]1COCCN1c1cc(nc(n1)-c1ccnc2[nH]ccc12)[C@@]1(C)CCCS1(=O)=O
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 US10800774 (2020)

More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM466898
PNG
(US10800774, Example 1)
Show SMILES CCN1CCCN(c2cc(nc(n2)-c2ccnc3[nH]ccc23)N2CCOC[C@H]2C)S1(=O)=O
PDB

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n/an/a 7n/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 US10800774 (2020)

More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM466911
PNG
((3R)-4-[6-(1-Methane- sulfonylpiperidin-3-yl)-2- {...)
Show SMILES C[C@@H]1COCCN1c1cc(nc(n1)-c1ccnc2[nH]ccc12)C1CCCN(C1)S(C)(=O)=O
PDB

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n/an/a 7n/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 US10800774 (2020)

More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM466909
PNG
(2-{6-[(3R)-3- Methylmorpholin-4-yl]-2- {1H-pyrrolo...)
Show SMILES CC(C)N1CCCN(c2cc(nc(n2)-c2ccnc3[nH]ccc23)N2CCOC[C@H]2C)S1(=O)=O
PDB

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n/an/a 7n/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 US10800774 (2020)

More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM466927
PNG
(2-{6-[(3R)-3-Methyl- morpholin-4-yl]-2-{1H- pyrrol...)
Show SMILES C[C@@H]1COCCN1c1cc(nc(n1)-c1ccnc2[nH]ccc12)C1CCCCS1(=O)=O
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 US10800774 (2020)

More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM466930
PNG
(US10800774, Example 29)
Show SMILES C[C@@H]1COCCN1c1cc(nc(n1)-c1ccnc2[nH]ccc12)C1(C)CCCS1(=O)=O
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 US10800774 (2020)

More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM466912
PNG
((3R)-4-[6-(1-Methane- sulfonylpyrrolidin-3-yl)-2- ...)
Show SMILES C[C@@H]1COCCN1c1cc(nc(n1)-c1ccnc2[nH]ccc12)C1CCN(C1)S(C)(=O)=O
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 US10800774 (2020)

More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM466916
PNG
(1-(3-{6-[(3R)-3- Methylmorpholin-4-yl]-2- {1H-pyrr...)
Show SMILES C[C@@H]1COCCN1c1cc(nc(n1)-c1ccnc2[nH]ccc12)C1CCCN(C1)C(C)=O
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 US10800774 (2020)

More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM466918
PNG
(Methyl 3-{6-[(3R)-3- methylmorpholin-4-yl]-2- {1H-...)
Show SMILES COC(=O)N1CCC(C1)c1cc(nc(n1)-c1ccnc2[nH]ccc12)N1CCOC[C@H]1C
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 US10800774 (2020)

More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM466914
PNG
(Methyl 4-{6-[(3R)-3- methylmorpholin-4-yl]-2- {1H-...)
Show SMILES COC(=O)N1CCC(CC1)c1cc(nc(n1)-c1ccnc2[nH]ccc12)N1CCOC[C@H]1C
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 US10800774 (2020)

More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM466925
PNG
(2-Methoxy-1-(4-{6-[(3R)-3- methylmorpholin-4-yl]-2...)
Show SMILES COCC(=O)N1CCC(CC1)c1cc(nc(n1)-c1ccnc2[nH]ccc12)N1CCOC[C@H]1C
PDB

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n/an/a 13n/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 US10800774 (2020)

More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM466919
PNG
(N-methyl-3-{6-[(3R)-3- methylmorpholin-4-yl]-2- {1...)
Show SMILES CNC(=O)N1CCC(C1)c1cc(nc(n1)-c1ccnc2[nH]ccc12)N1CCOC[C@H]1C
PDB

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n/an/a 14n/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 US10800774 (2020)

More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM466921
PNG
(1-(4-{6-[(3R)-3- Methylmorpholin-4-yl]-2- {1H-pyrr...)
Show SMILES CCC(=O)N1CCC(CC1)c1cc(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; 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 US10800774 (2020)

More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM466928
PNG
(Propan-2-yl 4-{6-[(3R)-3- methylmorpholin-4-yl]-2-...)
Show SMILES CC(C)OC(=O)N1CCC(CC1)c1cc(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; 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 US10800774 (2020)

More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM466923
PNG
(Ethyl 4-{6-[(3R)-3- methylmorpholin-4-yl]-2- {1H-p...)
Show SMILES CCOC(=O)N1CCC(CC1)c1cc(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; 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 US10800774 (2020)

More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM466926
PNG
(2-Cyclopropyl-1-(4-{6-[(3R)- 3-methylmorpholin-4-y...)
Show SMILES C[C@@H]1COCCN1c1cc(nc(n1)-c1ccnc2[nH]ccc12)C1CCN(CC1)C(=O)CC1CC1
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 US10800774 (2020)

More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM466899
PNG
(US10800774, Example 2)
Show SMILES C[C@@H]1COCCN1c1cc(nc(n1)-c1ccnc2[nH]ccc12)C1CCCS1(=O)=O
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 US10800774 (2020)

More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM466929
PNG
(Cyclopropylmethyl 4-{6- [(3R)-3-methylmorpholin-4-...)
Show SMILES C[C@@H]1COCCN1c1cc(nc(n1)-c1ccnc2[nH]ccc12)C1CCN(CC1)C(=O)OCC1CC1
PDB

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n/an/a 17n/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 US10800774 (2020)

More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM466915
PNG
((3R)-3-Methyl-4-[6-(oxan-4- yl)-2-{1H-pyrrolo[2,3-...)
Show SMILES C[C@@H]1COCCN1c1cc(nc(n1)-c1ccnc2[nH]ccc12)C1CCOCC1
PDB

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n/an/a 17n/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 US10800774 (2020)

More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM466917
PNG
(1-(3-{6-[(3R)-3-Methyl- morpholin-4-yl]-2-{1H- pyr...)
Show SMILES C[C@@H]1COCCN1c1cc(nc(n1)-c1ccnc2[nH]ccc12)C1CCN(C1)C(C)=O
PDB

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n/an/a 19n/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 US10800774 (2020)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1/2


(Homo sapiens (Human))
BDBM466924
PNG
((3R)-4-{6-[1-(Cyclopropane- sulfonyl)piperidin-4-y...)
Show SMILES C[C@@H]1COCCN1c1cc(nc(n1)-c1ccnc2[nH]ccc12)C1CCN(CC1)S(=O)(=O)C1CC1
PDB
MMDB

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



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

US Patent


Assay Description
Inhibitors of ATR kinase are effective at inhibiting the ATR-driven phosphorylation of the downstream target Chk1 kinase at Serine 345, following the...


US Patent US10800774 (2020)

More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM466922
PNG
((3R)-4-[6-(1- Cyclopropanecarbonylpiperidin- 4-yl)...)
Show SMILES C[C@@H]1COCCN1c1cc(nc(n1)-c1ccnc2[nH]ccc12)C1CCN(CC1)C(=O)C1CC1
PDB

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n/an/a 22n/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 US10800774 (2020)

More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM466913
PNG
(1-(4-{6-[(3R)-3- Methylmorpholin-4-yl]-2- {1H-pyrr...)
Show SMILES C[C@@H]1COCCN1c1cc(nc(n1)-c1ccnc2[nH]ccc12)C1CCN(CC1)C(C)=O
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 US10800774 (2020)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1/2


(Homo sapiens (Human))
BDBM466901
PNG
(US10800774, Example 4)
Show SMILES C[C@@H]1COCCN1c1cc(nc(n1)-c1ccnc2[nH]ccc12)C1CCN(CC1)S(C)(=O)=O
PDB
MMDB

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n/an/a 25n/an/an/an/an/an/a



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

US Patent


Assay Description
Inhibitors of ATR kinase are effective at inhibiting the ATR-driven phosphorylation of the downstream target Chk1 kinase at Serine 345, following the...


US Patent US10800774 (2020)

More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM466902
PNG
(US10800774, Example 5a)
Show SMILES C[C@@H]1COCCN1c1cc(nc(n1)-c1cc(Cl)nc2[nH]ccc12)[C@H]1CCCS1(=O)=O
PDB

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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 US10800774 (2020)

More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM466920
PNG
(1-Methyl-3-{6-[(3R)-3- methylmorpholin-4-yl]-2- {1...)
Show SMILES C[C@@H]1COCCN1c1cc(nc(n1)-c1ccnc2[nH]ccc12)C1CCCN(C)C1=O
PDB

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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 US10800774 (2020)

More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM466900
PNG
(US10800774, Example 3)
Show SMILES C[C@@H]1COCCN1c1cc(nc(n1)-c1ccnc2[nH]ccc12)C1CCN(C)C1=O
PDB

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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 US10800774 (2020)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1/2


(Homo sapiens (Human))
BDBM466921
PNG
(1-(4-{6-[(3R)-3- Methylmorpholin-4-yl]-2- {1H-pyrr...)
Show SMILES CCC(=O)N1CCC(CC1)c1cc(nc(n1)-c1ccnc2[nH]ccc12)N1CCOC[C@H]1C
PDB
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Board of Regents, The University of Texas System; ChemPartner Corporation

US Patent


Assay Description
Inhibitors of ATR kinase are effective at inhibiting the ATR-driven phosphorylation of the downstream target Chk1 kinase at Serine 345, following the...


US Patent US10800774 (2020)

More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM466907
PNG
(US10800774, Example 6)
Show SMILES C[C@@H]1COCCN1c1cc(nc(n1)-c1cc(Cl)nc2[nH]ccc12)N1CCCN(C)S1(=O)=O
PDB

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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 US10800774 (2020)

More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM466904
PNG
(US10800774, Example 5b)
Show SMILES C[C@@H]1COCCN1c1cc(nc(n1)-c1cc(Cl)nc2[nH]ccc12)[C@@H]1CCCS1(=O)=O
PDB

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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 US10800774 (2020)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1/2


(Homo sapiens (Human))
BDBM466931
PNG
(US10800774, Example 30a)
Show SMILES C[C@@H]1COCCN1c1cc(nc(n1)-c1ccnc2[nH]ccc12)[C@]1(C)CCCS1(=O)=O
PDB
MMDB

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

US Patent


Assay Description
Inhibitors of ATR kinase are effective at inhibiting the ATR-driven phosphorylation of the downstream target Chk1 kinase at Serine 345, following the...


US Patent US10800774 (2020)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1/2


(Homo sapiens (Human))
BDBM466922
PNG
((3R)-4-[6-(1- Cyclopropanecarbonylpiperidin- 4-yl)...)
Show SMILES C[C@@H]1COCCN1c1cc(nc(n1)-c1ccnc2[nH]ccc12)C1CCN(CC1)C(=O)C1CC1
PDB
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US Patent


Assay Description
Inhibitors of ATR kinase are effective at inhibiting the ATR-driven phosphorylation of the downstream target Chk1 kinase at Serine 345, following the...


US Patent US10800774 (2020)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1/2


(Homo sapiens (Human))
BDBM466925
PNG
(2-Methoxy-1-(4-{6-[(3R)-3- methylmorpholin-4-yl]-2...)
Show SMILES COCC(=O)N1CCC(CC1)c1cc(nc(n1)-c1ccnc2[nH]ccc12)N1CCOC[C@H]1C
PDB
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Board of Regents, The University of Texas System; ChemPartner Corporation

US Patent


Assay Description
Inhibitors of ATR kinase are effective at inhibiting the ATR-driven phosphorylation of the downstream target Chk1 kinase at Serine 345, following the...


US Patent US10800774 (2020)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1/2


(Homo sapiens (Human))
BDBM466927
PNG
(2-{6-[(3R)-3-Methyl- morpholin-4-yl]-2-{1H- pyrrol...)
Show SMILES C[C@@H]1COCCN1c1cc(nc(n1)-c1ccnc2[nH]ccc12)C1CCCCS1(=O)=O
PDB
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Board of Regents, The University of Texas System; ChemPartner Corporation

US Patent


Assay Description
Inhibitors of ATR kinase are effective at inhibiting the ATR-driven phosphorylation of the downstream target Chk1 kinase at Serine 345, following the...


US Patent US10800774 (2020)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1/2


(Homo sapiens (Human))
BDBM466930
PNG
(US10800774, Example 29)
Show SMILES C[C@@H]1COCCN1c1cc(nc(n1)-c1ccnc2[nH]ccc12)C1(C)CCCS1(=O)=O
PDB
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Board of Regents, The University of Texas System; ChemPartner Corporation

US Patent


Assay Description
Inhibitors of ATR kinase are effective at inhibiting the ATR-driven phosphorylation of the downstream target Chk1 kinase at Serine 345, following the...


US Patent US10800774 (2020)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1/2


(Homo sapiens (Human))
BDBM466898
PNG
(US10800774, Example 1)
Show SMILES CCN1CCCN(c2cc(nc(n2)-c2ccnc3[nH]ccc23)N2CCOC[C@H]2C)S1(=O)=O
PDB
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Board of Regents, The University of Texas System; ChemPartner Corporation

US Patent


Assay Description
Inhibitors of ATR kinase are effective at inhibiting the ATR-driven phosphorylation of the downstream target Chk1 kinase at Serine 345, following the...


US Patent US10800774 (2020)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1/2


(Homo sapiens (Human))
BDBM466912
PNG
((3R)-4-[6-(1-Methane- sulfonylpyrrolidin-3-yl)-2- ...)
Show SMILES C[C@@H]1COCCN1c1cc(nc(n1)-c1ccnc2[nH]ccc12)C1CCN(C1)S(C)(=O)=O
PDB
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Board of Regents, The University of Texas System; ChemPartner Corporation

US Patent


Assay Description
Inhibitors of ATR kinase are effective at inhibiting the ATR-driven phosphorylation of the downstream target Chk1 kinase at Serine 345, following the...


US Patent US10800774 (2020)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1/2


(Homo sapiens (Human))
BDBM466933
PNG
(US10800774, Example 30b)
Show SMILES C[C@@H]1COCCN1c1cc(nc(n1)-c1ccnc2[nH]ccc12)[C@@]1(C)CCCS1(=O)=O
PDB
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Board of Regents, The University of Texas System; ChemPartner Corporation

US Patent


Assay Description
Inhibitors of ATR kinase are effective at inhibiting the ATR-driven phosphorylation of the downstream target Chk1 kinase at Serine 345, following the...


US Patent US10800774 (2020)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1/2


(Homo sapiens (Human))
BDBM466923
PNG
(Ethyl 4-{6-[(3R)-3- methylmorpholin-4-yl]-2- {1H-p...)
Show SMILES CCOC(=O)N1CCC(CC1)c1cc(nc(n1)-c1ccnc2[nH]ccc12)N1CCOC[C@H]1C
PDB
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Board of Regents, The University of Texas System; ChemPartner Corporation

US Patent


Assay Description
Inhibitors of ATR kinase are effective at inhibiting the ATR-driven phosphorylation of the downstream target Chk1 kinase at Serine 345, following the...


US Patent US10800774 (2020)

More data for this
Ligand-Target Pair
ATR/ATRIP


(Homo sapiens (Human))
BDBM466910
PNG
(2-(2-{6-Chloro-1H- pyrrolo[2,3-b]pyridin-4-yl}- 6-...)
Show SMILES CCN1CCCN(c2cc(nc(n2)-c2cc(Cl)nc3[nH]ccc23)N2CCOC[C@H]2C)S1(=O)=O
PDB

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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 US10800774 (2020)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1/2


(Homo sapiens (Human))
BDBM466913
PNG
(1-(4-{6-[(3R)-3- Methylmorpholin-4-yl]-2- {1H-pyrr...)
Show SMILES C[C@@H]1COCCN1c1cc(nc(n1)-c1ccnc2[nH]ccc12)C1CCN(CC1)C(C)=O
PDB
MMDB

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

US Patent


Assay Description
Inhibitors of ATR kinase are effective at inhibiting the ATR-driven phosphorylation of the downstream target Chk1 kinase at Serine 345, following the...


US Patent US10800774 (2020)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1/2


(Homo sapiens (Human))
BDBM466911
PNG
((3R)-4-[6-(1-Methane- sulfonylpiperidin-3-yl)-2- {...)
Show SMILES C[C@@H]1COCCN1c1cc(nc(n1)-c1ccnc2[nH]ccc12)C1CCCN(C1)S(C)(=O)=O
PDB
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Board of Regents, The University of Texas System; ChemPartner Corporation

US Patent


Assay Description
Inhibitors of ATR kinase are effective at inhibiting the ATR-driven phosphorylation of the downstream target Chk1 kinase at Serine 345, following the...


US Patent US10800774 (2020)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1/2


(Homo sapiens (Human))
BDBM466918
PNG
(Methyl 3-{6-[(3R)-3- methylmorpholin-4-yl]-2- {1H-...)
Show SMILES COC(=O)N1CCC(C1)c1cc(nc(n1)-c1ccnc2[nH]ccc12)N1CCOC[C@H]1C
PDB
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Board of Regents, The University of Texas System; ChemPartner Corporation

US Patent


Assay Description
Inhibitors of ATR kinase are effective at inhibiting the ATR-driven phosphorylation of the downstream target Chk1 kinase at Serine 345, following the...


US Patent US10800774 (2020)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1/2


(Homo sapiens (Human))
BDBM466926
PNG
(2-Cyclopropyl-1-(4-{6-[(3R)- 3-methylmorpholin-4-y...)
Show SMILES C[C@@H]1COCCN1c1cc(nc(n1)-c1ccnc2[nH]ccc12)C1CCN(CC1)C(=O)CC1CC1
PDB
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US Patent


Assay Description
Inhibitors of ATR kinase are effective at inhibiting the ATR-driven phosphorylation of the downstream target Chk1 kinase at Serine 345, following the...


US Patent US10800774 (2020)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1/2


(Homo sapiens (Human))
BDBM466915
PNG
((3R)-3-Methyl-4-[6-(oxan-4- yl)-2-{1H-pyrrolo[2,3-...)
Show SMILES C[C@@H]1COCCN1c1cc(nc(n1)-c1ccnc2[nH]ccc12)C1CCOCC1
PDB
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Board of Regents, The University of Texas System; ChemPartner Corporation

US Patent


Assay Description
Inhibitors of ATR kinase are effective at inhibiting the ATR-driven phosphorylation of the downstream target Chk1 kinase at Serine 345, following the...


US Patent US10800774 (2020)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1/2


(Homo sapiens (Human))
BDBM466902
PNG
(US10800774, Example 5a)
Show SMILES C[C@@H]1COCCN1c1cc(nc(n1)-c1cc(Cl)nc2[nH]ccc12)[C@H]1CCCS1(=O)=O
PDB
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Board of Regents, The University of Texas System; ChemPartner Corporation

US Patent


Assay Description
Inhibitors of ATR kinase are effective at inhibiting the ATR-driven phosphorylation of the downstream target Chk1 kinase at Serine 345, following the...


US Patent US10800774 (2020)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1/2


(Homo sapiens (Human))
BDBM466914
PNG
(Methyl 4-{6-[(3R)-3- methylmorpholin-4-yl]-2- {1H-...)
Show SMILES COC(=O)N1CCC(CC1)c1cc(nc(n1)-c1ccnc2[nH]ccc12)N1CCOC[C@H]1C
PDB
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US Patent


Assay Description
Inhibitors of ATR kinase are effective at inhibiting the ATR-driven phosphorylation of the downstream target Chk1 kinase at Serine 345, following the...


US Patent US10800774 (2020)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1/2


(Homo sapiens (Human))
BDBM466908
PNG
(2-Methyl-6-{6-[(3R)-3- methylmorpholin-4-yl]-2- {1...)
Show SMILES C[C@@H]1COCCN1c1cc(nc(n1)-c1ccnc2[nH]ccc12)N1CCCN(C)S1(=O)=O
PDB
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US Patent


Assay Description
Inhibitors of ATR kinase are effective at inhibiting the ATR-driven phosphorylation of the downstream target Chk1 kinase at Serine 345, following the...


US Patent US10800774 (2020)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1/2


(Homo sapiens (Human))
BDBM466919
PNG
(N-methyl-3-{6-[(3R)-3- methylmorpholin-4-yl]-2- {1...)
Show SMILES CNC(=O)N1CCC(C1)c1cc(nc(n1)-c1ccnc2[nH]ccc12)N1CCOC[C@H]1C
PDB
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US Patent


Assay Description
Inhibitors of ATR kinase are effective at inhibiting the ATR-driven phosphorylation of the downstream target Chk1 kinase at Serine 345, following the...


US Patent US10800774 (2020)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1/2


(Homo sapiens (Human))
BDBM466916
PNG
(1-(3-{6-[(3R)-3- Methylmorpholin-4-yl]-2- {1H-pyrr...)
Show SMILES C[C@@H]1COCCN1c1cc(nc(n1)-c1ccnc2[nH]ccc12)C1CCCN(C1)C(C)=O
PDB
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US Patent


Assay Description
Inhibitors of ATR kinase are effective at inhibiting the ATR-driven phosphorylation of the downstream target Chk1 kinase at Serine 345, following the...


US Patent US10800774 (2020)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1/2


(Homo sapiens (Human))
BDBM466899
PNG
(US10800774, Example 2)
Show SMILES C[C@@H]1COCCN1c1cc(nc(n1)-c1ccnc2[nH]ccc12)C1CCCS1(=O)=O
PDB
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US Patent


Assay Description
Inhibitors of ATR kinase are effective at inhibiting the ATR-driven phosphorylation of the downstream target Chk1 kinase at Serine 345, following the...


US Patent US10800774 (2020)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1/2


(Homo sapiens (Human))
BDBM466917
PNG
(1-(3-{6-[(3R)-3-Methyl- morpholin-4-yl]-2-{1H- pyr...)
Show SMILES C[C@@H]1COCCN1c1cc(nc(n1)-c1ccnc2[nH]ccc12)C1CCN(C1)C(C)=O
PDB
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US Patent


Assay Description
Inhibitors of ATR kinase are effective at inhibiting the ATR-driven phosphorylation of the downstream target Chk1 kinase at Serine 345, following the...


US Patent US10800774 (2020)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1/2


(Homo sapiens (Human))
BDBM466929
PNG
(Cyclopropylmethyl 4-{6- [(3R)-3-methylmorpholin-4-...)
Show SMILES C[C@@H]1COCCN1c1cc(nc(n1)-c1ccnc2[nH]ccc12)C1CCN(CC1)C(=O)OCC1CC1
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Board of Regents, The University of Texas System; ChemPartner Corporation

US Patent


Assay Description
Inhibitors of ATR kinase are effective at inhibiting the ATR-driven phosphorylation of the downstream target Chk1 kinase at Serine 345, following the...


US Patent US10800774 (2020)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1/2


(Homo sapiens (Human))
BDBM466909
PNG
(2-{6-[(3R)-3- Methylmorpholin-4-yl]-2- {1H-pyrrolo...)
Show SMILES CC(C)N1CCCN(c2cc(nc(n2)-c2ccnc3[nH]ccc23)N2CCOC[C@H]2C)S1(=O)=O
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Board of Regents, The University of Texas System; ChemPartner Corporation

US Patent


Assay Description
Inhibitors of ATR kinase are effective at inhibiting the ATR-driven phosphorylation of the downstream target Chk1 kinase at Serine 345, following the...


US Patent US10800774 (2020)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1/2


(Homo sapiens (Human))
BDBM466928
PNG
(Propan-2-yl 4-{6-[(3R)-3- methylmorpholin-4-yl]-2-...)
Show SMILES CC(C)OC(=O)N1CCC(CC1)c1cc(nc(n1)-c1ccnc2[nH]ccc12)N1CCOC[C@H]1C
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Board of Regents, The University of Texas System; ChemPartner Corporation

US Patent


Assay Description
Inhibitors of ATR kinase are effective at inhibiting the ATR-driven phosphorylation of the downstream target Chk1 kinase at Serine 345, following the...


US Patent US10800774 (2020)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1/2


(Homo sapiens (Human))
BDBM466904
PNG
(US10800774, Example 5b)
Show SMILES C[C@@H]1COCCN1c1cc(nc(n1)-c1cc(Cl)nc2[nH]ccc12)[C@@H]1CCCS1(=O)=O
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Board of Regents, The University of Texas System; ChemPartner Corporation

US Patent


Assay Description
Inhibitors of ATR kinase are effective at inhibiting the ATR-driven phosphorylation of the downstream target Chk1 kinase at Serine 345, following the...


US Patent US10800774 (2020)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1/2


(Homo sapiens (Human))
BDBM466900
PNG
(US10800774, Example 3)
Show SMILES C[C@@H]1COCCN1c1cc(nc(n1)-c1ccnc2[nH]ccc12)C1CCN(C)C1=O
PDB
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Board of Regents, The University of Texas System; ChemPartner Corporation

US Patent


Assay Description
Inhibitors of ATR kinase are effective at inhibiting the ATR-driven phosphorylation of the downstream target Chk1 kinase at Serine 345, following the...


US Patent US10800774 (2020)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1/2


(Homo sapiens (Human))
BDBM466907
PNG
(US10800774, Example 6)
Show SMILES C[C@@H]1COCCN1c1cc(nc(n1)-c1cc(Cl)nc2[nH]ccc12)N1CCCN(C)S1(=O)=O
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Board of Regents, The University of Texas System; ChemPartner Corporation

US Patent


Assay Description
Inhibitors of ATR kinase are effective at inhibiting the ATR-driven phosphorylation of the downstream target Chk1 kinase at Serine 345, following the...


US Patent US10800774 (2020)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1/2


(Homo sapiens (Human))
BDBM466910
PNG
(2-(2-{6-Chloro-1H- pyrrolo[2,3-b]pyridin-4-yl}- 6-...)
Show SMILES CCN1CCCN(c2cc(nc(n2)-c2cc(Cl)nc3[nH]ccc23)N2CCOC[C@H]2C)S1(=O)=O
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Board of Regents, The University of Texas System; ChemPartner Corporation

US Patent


Assay Description
Inhibitors of ATR kinase are effective at inhibiting the ATR-driven phosphorylation of the downstream target Chk1 kinase at Serine 345, following the...


US Patent US10800774 (2020)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1/2


(Homo sapiens (Human))
BDBM466920
PNG
(1-Methyl-3-{6-[(3R)-3- methylmorpholin-4-yl]-2- {1...)
Show SMILES C[C@@H]1COCCN1c1cc(nc(n1)-c1ccnc2[nH]ccc12)C1CCCN(C)C1=O
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Board of Regents, The University of Texas System; ChemPartner Corporation

US Patent


Assay Description
Inhibitors of ATR kinase are effective at inhibiting the ATR-driven phosphorylation of the downstream target Chk1 kinase at Serine 345, following the...


US Patent US10800774 (2020)

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