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Compile Data Set for Download or QSAR

Found 101 hits Enz. Inhib. hit(s) with all data for entry = 8710   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
ATR-interacting protein/Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM414107
PNG
((R)-7-methyl-6-(2- methyl-1H-pyrrolo[2,3- b]pyridi...)
Show SMILES C[C@@H]1Cc2ncnc(C3CCN(CC3)S(C)(=O)=O)c2CN1c1ccnc2[nH]c(C)cc12 |r|
PDB

UniProtKB/SwissProt

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UniChem
US Patent
n/an/a 51n/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 US10421765 (2019)


BindingDB Entry DOI: 10.7270/Q2F47RHH
More data for this
Ligand-Target Pair
ATR-interacting protein/Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM414074
PNG
((R)-6-(6-chloro-1H- pyrrolo[2,3-b]pyridin-4- yl)-7...)
Show SMILES C[C@@H]1Cc2ncnc(C3=CC4CCC(C3)N4S(C)(=O)=O)c2CN1c1cc(Cl)nc2[nH]ccc12 |r,t:8|
PDB

UniProtKB/SwissProt

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UniChem
US Patent
n/an/a 66n/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 US10421765 (2019)


BindingDB Entry DOI: 10.7270/Q2F47RHH
More data for this
Ligand-Target Pair
ATR-interacting protein/Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM414085
PNG
(N-((S)-1-((R)-6-(6- chloro-1H-pyrrolo[2,3-b]- pyri...)
Show SMILES C[C@@H]1Cc2ncnc(N3CCC[C@@H](C3)NS(C)(=O)=O)c2CN1c1cc(Cl)nc2[nH]ccc12 |r|
PDB

UniProtKB/SwissProt

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UniChem
US Patent
n/an/a 73n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


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


US Patent US10421765 (2019)


BindingDB Entry DOI: 10.7270/Q2F47RHH
More data for this
Ligand-Target Pair
ATR-interacting protein/Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM414112
PNG
((R)-6-(6-cyclobutoxy-1H- pyrrolo[2,3-b]pyridin-4- ...)
Show SMILES C[C@@H]1Cc2ncnc(C3CCN(CC3)S(C)(=O)=O)c2CN1c1cc(OC2CCC2)nc2[nH]ccc12 |r|
PDB

UniProtKB/SwissProt

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UniChem
US Patent
n/an/a 75n/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 US10421765 (2019)


BindingDB Entry DOI: 10.7270/Q2F47RHH
More data for this
Ligand-Target Pair
ATR-interacting protein/Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM414077
PNG
(Methyl (S)-1-((R)-6-(6- chloro-1H-pyrrolo[2,3- b]p...)
Show SMILES COC(=O)[C@H]1CCCN(C1)c1ncnc2C[C@@H](C)N(Cc12)c1cc(Cl)nc2[nH]ccc12 |r|
PDB

UniProtKB/SwissProt

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n/an/a 86n/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 US10421765 (2019)


BindingDB Entry DOI: 10.7270/Q2F47RHH
More data for this
Ligand-Target Pair
ATR-interacting protein/Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM414084
PNG
(2-((R)-1-((R)-6-(6- chloro-1H-pyrrolo[2,3-b]- pyri...)
Show SMILES C[C@@H]1Cc2ncnc(N3CCC[C@H](C3)C(C)(C)O)c2CN1c1cc(Cl)nc2[nH]ccc12 |r|
PDB

UniProtKB/SwissProt

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US Patent
n/an/a 87n/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 US10421765 (2019)


BindingDB Entry DOI: 10.7270/Q2F47RHH
More data for this
Ligand-Target Pair
ATR-interacting protein/Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM414106
PNG
((R)-6-(6-isopropoxy-1H- pyrrolo[2,3-b]pyridin-4- y...)
Show SMILES CC(C)Oc1cc(N2Cc3c(C[C@H]2C)ncnc3C2CCN(CC2)S(C)(=O)=O)c2cc[nH]c2n1 |r|
PDB

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n/an/a 87n/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 US10421765 (2019)


BindingDB Entry DOI: 10.7270/Q2F47RHH
More data for this
Ligand-Target Pair
ATR-interacting protein/Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM414110
PNG
((R)-6-(6-cyclopropoxy- 1H-pyrrolo[2,3-b]pyridin- 4...)
Show SMILES C[C@@H]1Cc2ncnc(C3CCN(CC3)S(C)(=O)=O)c2CN1c1cc(OC2CC2)nc2[nH]ccc12 |r|
PDB

UniProtKB/SwissProt

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n/an/a 93n/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 US10421765 (2019)


BindingDB Entry DOI: 10.7270/Q2F47RHH
More data for this
Ligand-Target Pair
ATR-interacting protein/Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM414093
PNG
((R)-1-(6-(6-chloro-1H- pyrrolo[2,3-b]pyridin-4- yl...)
Show SMILES C[C@@H]1Cc2ncnc(N3CC(C3)C#N)c2CN1c1cc(Cl)nc2[nH]ccc12 |r|
PDB

UniProtKB/SwissProt

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n/an/a 103n/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 US10421765 (2019)


BindingDB Entry DOI: 10.7270/Q2F47RHH
More data for this
Ligand-Target Pair
ATR-interacting protein/Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM414087
PNG
(N-(4-((R)-6-(6-chloro- 1H-pyrrolo[2,3-b]pyridin- 4...)
Show SMILES C[C@@H]1Cc2ncnc(C3=CCC(CC3)NS(C)(=O)=O)c2CN1c1cc(Cl)nc2[nH]ccc12 |r,t:8|
PDB

UniProtKB/SwissProt

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US Patent
n/an/a 111n/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 US10421765 (2019)


BindingDB Entry DOI: 10.7270/Q2F47RHH
More data for this
Ligand-Target Pair
ATR-interacting protein/Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM414099
PNG
((R)-N-(1-(7-methyl-6- (1H-pyrrolo[2,3-b]- pyridin-...)
Show SMILES C[C@@H]1Cc2ncnc(N3CC(C3)NS(=O)(=O)C3CC3)c2CN1c1ccnc2[nH]ccc12 |r|
PDB

UniProtKB/SwissProt

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US Patent
n/an/a 113n/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 US10421765 (2019)


BindingDB Entry DOI: 10.7270/Q2F47RHH
More data for this
Ligand-Target Pair
ATR-interacting protein/Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM414024
PNG
(US10421765, Example 13 | US10745420, Example 13)
Show SMILES CNC1[C@H]2CC[C@@H]1CN(C2)c1ncnc2C[C@@H](C)N(Cc12)c1cc(Cl)nc2[nH]ccc12 |r|
PDB

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n/an/a 114n/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 US10421765 (2019)


BindingDB Entry DOI: 10.7270/Q2F47RHH
More data for this
Ligand-Target Pair
ATR-interacting protein/Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM414040
PNG
(N-{1-[(7R)-6-{6-chloro- 1H-pyrrolo[2,3-b]pyridin- ...)
Show SMILES C[C@@H]1Cc2ncnc(N3CCC(CC3)NS(C)(=O)=O)c2CN1c1cc(Cl)nc2[nH]ccc12 |r|
PDB

UniProtKB/SwissProt

antibodypedia
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UniChem
US Patent
n/an/a 120n/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 US10421765 (2019)


BindingDB Entry DOI: 10.7270/Q2F47RHH
More data for this
Ligand-Target Pair
ATR-interacting protein/Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM414066
PNG
(US10421765, Example 54 | US10745420, Example 56)
Show SMILES CCOc1cc(N2Cc3c(C[C@H]2C)ncnc3C2CCN(CC2)S(C)(=O)=O)c2cc[nH]c2n1 |r|
PDB

UniProtKB/SwissProt

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n/an/a 123n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


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


US Patent US10421765 (2019)


BindingDB Entry DOI: 10.7270/Q2F47RHH
More data for this
Ligand-Target Pair
ATR-interacting protein/Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM414103
PNG
((R)-7-methyl-4-(1- (methylsulfonyl)piperidin- 4-yl...)
Show SMILES C[C@@H]1Cc2ncnc(C3CCN(CC3)S(C)(=O)=O)c2CN1c1cnc2cn[nH]c2c1 |r|
PDB

UniProtKB/SwissProt

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n/an/a 138n/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 US10421765 (2019)


BindingDB Entry DOI: 10.7270/Q2F47RHH
More data for this
Ligand-Target Pair
ATR-interacting protein/Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM414081
PNG
((S)-1-((R)-6-(6-chloro- 1H-pyrrolo[2,3-b]pyridin- ...)
Show SMILES CNC(=O)[C@H]1CCCN(C1)c1ncnc2C[C@@H](C)N(Cc12)c1cc(Cl)nc2[nH]ccc12 |r|
PDB

UniProtKB/SwissProt

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n/an/a 140n/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 US10421765 (2019)


BindingDB Entry DOI: 10.7270/Q2F47RHH
More data for this
Ligand-Target Pair
ATR-interacting protein/Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM414079
PNG
((7R)-6-(6-chloro-1H- pyrrolo[2,3-b]pyridin-4- yl)-...)
Show SMILES C[C@@H]1Cc2ncnc(N3CCCC(C3)S(C)(=O)=O)c2CN1c1cc(Cl)nc2[nH]ccc12 |r|
PDB

UniProtKB/SwissProt

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US Patent
n/an/a 159n/an/an/an/an/an/a



Board of Regents, The University of Texas System

US Patent


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


US Patent US10421765 (2019)


BindingDB Entry DOI: 10.7270/Q2F47RHH
More data for this
Ligand-Target Pair
ATR-interacting protein/Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM414017
PNG
(US10421765, Example 7 | US10745420, Example 9)
Show SMILES C[C@@H]1Cc2ncnc(C3CCN(CC3)S(C)(=O)=O)c2CN1c1cc(Cl)nc2[nH]ccc12 |r|
PDB

UniProtKB/SwissProt

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US Patent
n/an/a 163n/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 US10421765 (2019)


BindingDB Entry DOI: 10.7270/Q2F47RHH
More data for this
Ligand-Target Pair
ATR-interacting protein/Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM414044
PNG
(2-{1-[(7R)-6-{6-chloro- 1H-pyrrolo[2,3-b]pyridin- ...)
Show SMILES C[C@@H]1Cc2ncnc(N3CC(C3)C(C)(C)O)c2CN1c1cc(Cl)nc2[nH]ccc12 |r|
PDB

UniProtKB/SwissProt

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US Patent
n/an/a 183n/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 US10421765 (2019)


BindingDB Entry DOI: 10.7270/Q2F47RHH
More data for this
Ligand-Target Pair
ATR-interacting protein/Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM414092
PNG
(N-((1R,5S,8R)-3-((R)-6- (6-chloro-1H-pyrrolo[2,3- ...)
Show SMILES C[C@@H]1Cc2ncnc(N3C[C@@H]4CC[C@H](C3)[C@@H]4NS(=O)(=O)C3CC3)c2CN1c1cc(Cl)nc2[nH]ccc12 |r|
PDB

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n/an/a 184n/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 US10421765 (2019)


BindingDB Entry DOI: 10.7270/Q2F47RHH
More data for this
Ligand-Target Pair
ATR-interacting protein/Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM414043
PNG
(1-[(7R)-6-{6-chloro-1H- pyrrolo[2,3-b]pyridin-4- y...)
Show SMILES C[C@@H]1Cc2ncnc(N3CC(C3)S(C)(=O)=O)c2CN1c1cc(Cl)nc2[nH]ccc12 |r|
PDB

UniProtKB/SwissProt

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n/an/a 223n/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 US10421765 (2019)


BindingDB Entry DOI: 10.7270/Q2F47RHH
More data for this
Ligand-Target Pair
ATR-interacting protein/Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM414101
PNG
((R)-6-(6-chloro-1H- pyrrolo[2,3-b]pyridin-4- yl)-7...)
Show SMILES C[C@@H]1Cc2ncnc(N3CC[C@H](C3)S(C)(=O)=O)c2CN1c1cc(Cl)nc2[nH]ccc12 |r|
PDB

UniProtKB/SwissProt

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n/an/a 237n/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 US10421765 (2019)


BindingDB Entry DOI: 10.7270/Q2F47RHH
More data for this
Ligand-Target Pair
ATR-interacting protein/Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM414089
PNG
((R)-1-(6-(6-chloro-1H- pyrrolo[2,3-b]pyridin-4- yl...)
Show SMILES C[C@@H]1Cc2ncnc(N3CCC(O)(CC3)C3CC3)c2CN1c1cc(Cl)nc2[nH]ccc12 |r|
PDB

UniProtKB/SwissProt

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



Board of Regents, The University of Texas System

US Patent


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


US Patent US10421765 (2019)


BindingDB Entry DOI: 10.7270/Q2F47RHH
More data for this
Ligand-Target Pair
ATR-interacting protein/Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM414095
PNG
((R)-1-(7-methyl-6-(1H- pyrrolo[2,3-b]pyridin-4- yl...)
Show SMILES C[C@@H]1Cc2ncnc(N3CC(C3)C#N)c2CN1c1ccnc2[nH]ccc12 |r|
PDB

UniProtKB/SwissProt

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



Board of Regents, The University of Texas System

US Patent


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


US Patent US10421765 (2019)


BindingDB Entry DOI: 10.7270/Q2F47RHH
More data for this
Ligand-Target Pair
ATR-interacting protein/Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM414076
PNG
(Methyl (R)-1-((R)-6-(6- chloro-1H-pyrrolo[2,3- b]p...)
Show SMILES COC(=O)[C@@H]1CCCN(C1)c1ncnc2C[C@@H](C)N(Cc12)c1cc(Cl)nc2[nH]ccc12 |r|
PDB

UniProtKB/SwissProt

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n/an/a 253n/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 US10421765 (2019)


BindingDB Entry DOI: 10.7270/Q2F47RHH
More data for this
Ligand-Target Pair
ATR-interacting protein/Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM414104
PNG
((R)-6-(6-methoxy-1H- pyrrolo[2,3-b]pyridin-4- yl)-...)
Show SMILES COc1cc(N2Cc3c(C[C@H]2C)ncnc3C2CCN(CC2)S(C)(=O)=O)c2cc[nH]c2n1 |r|
PDB

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n/an/a 269n/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 US10421765 (2019)


BindingDB Entry DOI: 10.7270/Q2F47RHH
More data for this
Ligand-Target Pair
ATR-interacting protein/Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM414108
PNG
((R)-6-(6-cyclopropyl-1H- pyrrolo[2,3-b]pyridin-4- ...)
Show SMILES C[C@@H]1Cc2ncnc(C3CCN(CC3)S(C)(=O)=O)c2CN1c1cc(nc2[nH]ccc12)C1CC1 |r|
PDB

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n/an/a 270n/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 US10421765 (2019)


BindingDB Entry DOI: 10.7270/Q2F47RHH
More data for this
Ligand-Target Pair
ATR-interacting protein/Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM414088
PNG
(N-((1R,5S,8R)-3-((R)-7- methyl-6-(1H-pyrrolo- [2,3...)
Show SMILES C[C@@H]1Cc2ncnc(C3C[C@@H]4CC[C@H](C3)[C@@H]4NS(C)(=O)=O)c2CN1c1ccnc2[nH]ccc12 |r|
PDB

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n/an/a 279n/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 US10421765 (2019)


BindingDB Entry DOI: 10.7270/Q2F47RHH
More data for this
Ligand-Target Pair
ATR-interacting protein/Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM414054
PNG
(US10421765, Example 46 | US10745420, Example 46)
Show SMILES CCC1(O)CCN(CC1)c1ncnc2C[C@@H](C)N(Cc12)c1cc(Cl)nc2[nH]ccc12 |r|
PDB

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n/an/a 282n/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 US10421765 (2019)


BindingDB Entry DOI: 10.7270/Q2F47RHH
More data for this
Ligand-Target Pair
ATR-interacting protein/Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM414083
PNG
(N-(3-((R)-7-methyl-6- (1H-pyrrolo[2,3-b]- pyridin-...)
Show SMILES C[C@@H]1Cc2ncnc(N3CC4CCC(C3)C4NS(C)(=O)=O)c2CN1c1cc(Cl)nc2[nH]ccc12 |r|
PDB

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n/an/a 283n/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 US10421765 (2019)


BindingDB Entry DOI: 10.7270/Q2F47RHH
More data for this
Ligand-Target Pair
ATR-interacting protein/Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM414055
PNG
(US10421765, Example 47 | US10745420, Example 47)
Show SMILES C[C@@H]1Cc2ncnc(C3CN(C3)S(C)(=O)=O)c2CN1c1cc(Cl)nc2[nH]ccc12 |r|
PDB

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n/an/a 287n/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 US10421765 (2019)


BindingDB Entry DOI: 10.7270/Q2F47RHH
More data for this
Ligand-Target Pair
ATR-interacting protein/Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM414068
PNG
(US10421765, Example 55b | US10745420, Example 55b)
Show SMILES CCOc1cc(N2Cc3c(C[C@@H]2CF)ncnc3C2CCN(CC2)S(C)(=O)=O)c2cc[nH]c2n1 |r|
PDB

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n/an/a 311n/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 US10421765 (2019)


BindingDB Entry DOI: 10.7270/Q2F47RHH
More data for this
Ligand-Target Pair
ATR-interacting protein/Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM414091
PNG
((R)-1-(6-(6-chloro-1H- pyrrolo[2,3-b]pyridin-4- yl...)
Show SMILES C[C@@H]1Cc2ncnc(N3CC(O)C3)c2CN1c1cc(Cl)nc2[nH]ccc12 |r|
PDB

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n/an/a 320n/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 US10421765 (2019)


BindingDB Entry DOI: 10.7270/Q2F47RHH
More data for this
Ligand-Target Pair
ATR-interacting protein/Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM414109
PNG
((R)-7-methyl-4-(1- (methylsulfonyl)piperidin- 4-yl...)
Show SMILES C[C@@H]1Cc2ncnc(C3CCN(CC3)S(C)(=O)=O)c2CN1c1cc(OCC(F)(F)F)nc2[nH]ccc12 |r|
PDB

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n/an/a 321n/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 US10421765 (2019)


BindingDB Entry DOI: 10.7270/Q2F47RHH
More data for this
Ligand-Target Pair
ATR-interacting protein/Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM414041
PNG
(2-{1-[(7R)-6-{6-chloro- 1H-pyrrolo[2,3-b]pyridin- ...)
Show SMILES C[C@@H]1Cc2ncnc(N3CCC(CC3)C(C)(C)O)c2CN1c1cc(Cl)nc2[nH]ccc12 |r|
PDB

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n/an/a 329n/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 US10421765 (2019)


BindingDB Entry DOI: 10.7270/Q2F47RHH
More data for this
Ligand-Target Pair
ATR-interacting protein/Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM414100
PNG
((R)-6-(6-chloro-1H- pyrrolo[2,3-b]pyridin-4- yl)-7...)
Show SMILES C[C@@H]1Cc2ncnc(N3CC[C@@H](C3)S(C)(=O)=O)c2CN1c1cc(Cl)nc2[nH]ccc12 |r|
PDB

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n/an/a 329n/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 US10421765 (2019)


BindingDB Entry DOI: 10.7270/Q2F47RHH
More data for this
Ligand-Target Pair
ATR-interacting protein/Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM414022
PNG
(US10421765, Example 11b)
Show SMILES C[C@@H]1Cc2ncnc([C@@H]3C[C@@H]4CC[C@H](C3)N4S(C)(=O)=O)c2CN1c1cc(Cl)nc2[nH]ccc12 |r,THB:16:15:8.9.14:11.12|
PDB

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n/an/a 329n/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 US10421765 (2019)


BindingDB Entry DOI: 10.7270/Q2F47RHH
More data for this
Ligand-Target Pair
ATR-interacting protein/Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM414111
PNG
((R)-4-(7-methyl-4-(1- (methylsulfonyl)piperidin- 4...)
Show SMILES C[C@@H]1Cc2ncnc(C3CCN(CC3)S(C)(=O)=O)c2CN1c1cc(nc2[nH]ccc12)C#N |r|
PDB

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n/an/a 336n/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 US10421765 (2019)


BindingDB Entry DOI: 10.7270/Q2F47RHH
More data for this
Ligand-Target Pair
ATR-interacting protein/Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM414097
PNG
(1-((R)-7-methyl-6-(1H- pyrrolo[2,3-b]pyridin-4- yl...)
Show SMILES C[C@@H]1Cc2ncnc(N3CCCC(C3)C#N)c2CN1c1ccnc2[nH]ccc12 |r|
PDB

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n/an/a 364n/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 US10421765 (2019)


BindingDB Entry DOI: 10.7270/Q2F47RHH
More data for this
Ligand-Target Pair
ATR-interacting protein/Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM414053
PNG
(US10421765, Example 45 | US10745420, Example 45)
Show SMILES C[C@@H]1Cc2ncnc(N3CCC[C@@H](C3)C(C)(C)O)c2CN1c1cc(Cl)nc2[nH]ccc12 |r|
PDB

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n/an/a 378n/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 US10421765 (2019)


BindingDB Entry DOI: 10.7270/Q2F47RHH
More data for this
Ligand-Target Pair
ATR-interacting protein/Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM414020
PNG
(US10421765, Example 10 | US10745420, Example 10)
Show SMILES COC(=O)N1CCCC(C1)c1ncnc2C[C@@H](C)N(Cc12)c1cc(Cl)nc2[nH]ccc12 |r|
PDB

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n/an/a 408n/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 US10421765 (2019)


BindingDB Entry DOI: 10.7270/Q2F47RHH
More data for this
Ligand-Target Pair
ATR-interacting protein/Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM414029
PNG
(3-methanesulfonyl-1- [(7R)-7-methyl-6-{1H- pyrrolo...)
Show SMILES C[C@@H]1Cc2ncnc(N3CCCC(C3)S(C)(=O)=O)c2CN1c1ccnc2[nH]ccc12 |r|
PDB

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n/an/a 420n/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 US10421765 (2019)


BindingDB Entry DOI: 10.7270/Q2F47RHH
More data for this
Ligand-Target Pair
ATR-interacting protein/Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM414045
PNG
(1-[(7R)-6-{6-chloro-1H- pyrrolo[2,3-b]pyridin-4- y...)
Show SMILES CNC(=O)C1CN(C1)c1ncnc2C[C@@H](C)N(Cc12)c1cc(Cl)nc2[nH]ccc12 |r|
PDB

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n/an/a 429n/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 US10421765 (2019)


BindingDB Entry DOI: 10.7270/Q2F47RHH
More data for this
Ligand-Target Pair
ATR-interacting protein/Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM414042
PNG
(8-[(7R)-6-{6-chloro-1H- pyrrolo[2,3-b]pyridin-4- y...)
Show SMILES C[C@@H]1Cc2ncnc(N3CCC4(CNC(=O)O4)CC3)c2CN1c1cc(Cl)nc2[nH]ccc12 |r|
PDB

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n/an/a 434n/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 US10421765 (2019)


BindingDB Entry DOI: 10.7270/Q2F47RHH
More data for this
Ligand-Target Pair
ATR-interacting protein/Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM414057
PNG
(US10421765, Example 48b)
Show SMILES C[C@@H]1Cc2ncnc([C@@H]3CCN(C(C)(C)C3)S(C)(=O)=O)c2CN1c1ccnc2[nH]ccc12 |r|
PDB

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



Board of Regents, The University of Texas System

US Patent


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


US Patent US10421765 (2019)


BindingDB Entry DOI: 10.7270/Q2F47RHH
More data for this
Ligand-Target Pair
ATR-interacting protein/Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM414019
PNG
(US10421765, Example 9)
Show SMILES C[C@@H]1Cc2ncnc(N3CCC(CC3)S(C)(=O)=O)c2CN1c1cc(Cl)nc2[nH]ccc12 |r|
PDB

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n/an/a 442n/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 US10421765 (2019)


BindingDB Entry DOI: 10.7270/Q2F47RHH
More data for this
Ligand-Target Pair
ATR-interacting protein/Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM414049
PNG
((7R)-6-(6-chloro-1H- pyrrolo[2,3-b]pyridin-4- yl)-...)
Show SMILES CC1CCN(C1)c1ncnc2C[C@@H](C)N(Cc12)c1cc(Cl)nc2[nH]ccc12 |r|
PDB

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n/an/a 472n/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 US10421765 (2019)


BindingDB Entry DOI: 10.7270/Q2F47RHH
More data for this
Ligand-Target Pair
ATR-interacting protein/Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM414078
PNG
((R)-N-(1-(7-methyl-6- (1H-pyrrolo[2,3-b]- pyridin-...)
Show SMILES C[C@@H]1Cc2ncnc(N3CCC(CC3)NS(C)(=O)=O)c2CN1c1ccnc2[nH]ccc12 |r|
PDB

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n/an/a 472n/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 US10421765 (2019)


BindingDB Entry DOI: 10.7270/Q2F47RHH
More data for this
Ligand-Target Pair
ATR-interacting protein/Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM414082
PNG
((R)-6-(6-chloro-1H- pyrrolo[2,3-b]pyridin-4- yl)-4...)
Show SMILES COC1CCN(CC1)c1ncnc2C[C@@H](C)N(Cc12)c1cc(Cl)nc2[nH]ccc12 |r|
PDB

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n/an/a 475n/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 US10421765 (2019)


BindingDB Entry DOI: 10.7270/Q2F47RHH
More data for this
Ligand-Target Pair
ATR-interacting protein/Serine/threonine-protein kinase ATR


(Homo sapiens (Human))
BDBM414016
PNG
(US10421765, Example 6 | US10745420, Example 8)
Show SMILES C[C@@H]1Cc2ncnc(C3CCN(CC3)S(C)(=O)=O)c2CN1c1ccnc2[nH]ccc12 |r|
PDB

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n/an/a 499n/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 US10421765 (2019)


BindingDB Entry DOI: 10.7270/Q2F47RHH
More data for this
Ligand-Target Pair
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