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Compile Data Set for Download or QSAR

Found 1543 hits with Last Name = 'grudzinska-goebel' and Initial = 'j'   
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
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))		BDBM459773
PNG
(3,3-dimethyl-2-{2-[(3R)-3-methylmorpholin-4-yl]-8-...)
Show SMILES C[C@@H]1COCCN1c1cc(c2ccnc(-c3ccn[nH]3)c2n1)C(C)(O)C(C)(C)C |r|
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n/an/a 2n/an/an/an/an/an/a



Bayer AG

Curated by ChEMBL


Assay Description
Inhibition of 5'-TAMRA-labeled tracer 3',6'-bis(dimethylamino)-N-(4-{[2(1H-indol-4-yl)-6-(morpholin-4-yl)-pyrimidin-4-yl]amino}butyl)-3-oxo-3H-spiro[...

J Med Chem 63: 7293-7325 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00369
BindingDB Entry DOI: 10.7270/Q29C71ZT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))		BDBM50427326
PNG
(CHEMBL2325697)
Show SMILES C[C@@H]1COCCN1c1cc(nc(n1)-c1cccc2[nH]ccc12)C1(CC1)S(C)(=O)=O |r|
Show InChI InChI=1S/C21H24N4O3S/c1-14-13-28-11-10-25(14)19-12-18(21(7-8-21)29(2,26)27)23-20(24-19)16-4-3-5-17-15(16)6-9-22-17/h3-6,9,12,14,22H,7-8,10-11,13H2,1-2H3/t14-/m1/s1
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n/an/a 3n/an/an/an/an/an/a



Bayer AG

Curated by ChEMBL


Assay Description
Inhibition of 5'-TAMRA-labeled tracer 3',6'-bis(dimethylamino)-N-(4-{[2(1H-indol-4-yl)-6-(morpholin-4-yl)-pyrimidin-4-yl]amino}butyl)-3-oxo-3H-spiro[...

J Med Chem 63: 7293-7325 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00369
BindingDB Entry DOI: 10.7270/Q29C71ZT
More data for this
Ligand-Target Pair
ATR-interacting protein/Serine/threonine-protein kinase ATR


(Homo sapiens (Human))		BDBM268208
PNG
(US10772893, Example 241 | US11529356, Example 241 ...)
Show SMILES C[C@@H]1COCCN1c1cc(C2CCSCC2)c2ccnc(-c3ccn[nH]3)c2n1 |r|
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n/an/a 4.06n/an/an/an/an/an/a


TBA

Assay Description
For the assay 50 nl of a 100-fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2474FQK
More data for this
Ligand-Target Pair
ATR-interacting protein/Serine/threonine-protein kinase ATR


(Homo sapiens (Human))		BDBM268208
PNG
(US10772893, Example 241 | US11529356, Example 241 ...)
Show SMILES C[C@@H]1COCCN1c1cc(C2CCSCC2)c2ccnc(-c3ccn[nH]3)c2n1 |r|
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n/an/a 4.06n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
To determine of binding activity of the test compounds, full-length human ATR protein was expressed and purified together with ATRIP as described abo...

US Patent US10772893 (2020)


BindingDB Entry DOI: 10.7270/Q2T43X50
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))		BDBM268208
PNG
(US10772893, Example 241 | US11529356, Example 241 ...)
Show SMILES C[C@@H]1COCCN1c1cc(C2CCSCC2)c2ccnc(-c3ccn[nH]3)c2n1 |r|
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n/an/a 4.06n/an/an/an/a7.0n/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
To determine of binding activity of the test compounds, full-length human ATR protein was expressed and purified together with ATRIP as described abo...

US Patent US9549932 (2017)


BindingDB Entry DOI: 10.7270/Q27S7QSC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))		BDBM268080
PNG
(2-[(3R)-3-methylmorpholin-4-yl]-4-(3-methyl-1,2-ox...)
Show SMILES C[C@@H]1COCCN1c1cc(-c2cc(C)no2)c2ccnc(-c3ccnn3C3CCCCO3)c2n1 |r|
Show InChI InChI=1S/C25H28N6O3/c1-16-13-21(34-29-16)19-14-22(30-10-12-32-15-17(30)2)28-24-18(19)6-8-26-25(24)20-7-9-27-31(20)23-5-3-4-11-33-23/h6-9,13-14,17,23H,3-5,10-12,15H2,1-2H3/t17-,23?/m1/s1
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n/an/a 4.74n/an/an/an/a7.0n/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
To determine of binding activity of the test compounds, full-length human ATR protein was expressed and purified together with ATRIP as described abo...

US Patent US9549932 (2017)


BindingDB Entry DOI: 10.7270/Q27S7QSC
More data for this
Ligand-Target Pair
ATR-interacting protein/Serine/threonine-protein kinase ATR


(Homo sapiens (Human))		BDBM459603
PNG
(US10772893, Example 112 | US11529356, Example 112)
Show SMILES C[C@@H]1COCCN1c1cc(-c2cc(C)no2)c2ccnc(-c3ccn[nH]3)c2n1 |r|
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n/an/a 4.74n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
To determine of binding activity of the test compounds, full-length human ATR protein was expressed and purified together with ATRIP as described abo...

US Patent US10772893 (2020)


BindingDB Entry DOI: 10.7270/Q2T43X50
More data for this
Ligand-Target Pair
ATR-interacting protein/Serine/threonine-protein kinase ATR


(Homo sapiens (Human))		BDBM459603
PNG
(US10772893, Example 112 | US11529356, Example 112)
Show SMILES C[C@@H]1COCCN1c1cc(-c2cc(C)no2)c2ccnc(-c3ccn[nH]3)c2n1 |r|
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TBA

Assay Description
For the assay 50 nl of a 100-fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2474FQK
More data for this
Ligand-Target Pair
ATR-interacting protein/Serine/threonine-protein kinase ATR


(Homo sapiens (Human))		BDBM459573
PNG
(US10772893, Example 82 | US11529356, Example 82)
Show SMILES C[C@@H]1COCCN1c1cc(N2CCN(CC2)S(C)(=O)=O)c2ccnc(-c3ccn[nH]3)c2n1 |r|
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n/an/a 4.90n/an/an/an/an/an/a


TBA

Assay Description
For the assay 50 nl of a 100-fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2474FQK
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))		BDBM268050
PNG
(2-[(3R)-3-methylmorpholin-4-yl]-4-[4-(methylsulfon...)
Show SMILES C[C@@H]1COCCN1c1cc(N2CCN(CC2)S(C)(=O)=O)c2ccnc(-c3ccnn3C3CCCCO3)c2n1 |r|
Show InChI InChI=1S/C26H35N7O4S/c1-19-18-36-16-14-32(19)23-17-22(30-10-12-31(13-11-30)38(2,34)35)20-6-8-27-26(25(20)29-23)21-7-9-28-33(21)24-5-3-4-15-37-24/h6-9,17,19,24H,3-5,10-16,18H2,1-2H3/t19-,24?/m1/s1
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Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
To determine of binding activity of the test compounds, full-length human ATR protein was expressed and purified together with ATRIP as described abo...

US Patent US9549932 (2017)


BindingDB Entry DOI: 10.7270/Q27S7QSC
More data for this
Ligand-Target Pair
ATR-interacting protein/Serine/threonine-protein kinase ATR


(Homo sapiens (Human))		BDBM459573
PNG
(US10772893, Example 82 | US11529356, Example 82)
Show SMILES C[C@@H]1COCCN1c1cc(N2CCN(CC2)S(C)(=O)=O)c2ccnc(-c3ccn[nH]3)c2n1 |r|
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n/an/a 4.90n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
To determine of binding activity of the test compounds, full-length human ATR protein was expressed and purified together with ATRIP as described abo...

US Patent US10772893 (2020)


BindingDB Entry DOI: 10.7270/Q2T43X50
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))		BDBM459573
PNG
(US10772893, Example 82 | US11529356, Example 82)
Show SMILES C[C@@H]1COCCN1c1cc(N2CCN(CC2)S(C)(=O)=O)c2ccnc(-c3ccn[nH]3)c2n1 |r|
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Bayer AG

Curated by ChEMBL


Assay Description
Inhibition of 5'-TAMRA-labeled tracer 3',6'-bis(dimethylamino)-N-(4-{[2(1H-indol-4-yl)-6-(morpholin-4-yl)-pyrimidin-4-yl]amino}butyl)-3-oxo-3H-spiro[...

J Med Chem 63: 7293-7325 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00369
BindingDB Entry DOI: 10.7270/Q29C71ZT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))		BDBM268038
PNG
(4-(1-methyl-1H-imidazol-5-yl)-2-[(3R)-3-methylmorp...)
Show SMILES C[C@@H]1COCCN1c1cc(-c2cncn2C)c2ccnc(-c3ccnn3C3CCCCO3)c2n1 |r|
Show InChI InChI=1S/C25H29N7O2/c1-17-15-33-12-10-31(17)22-13-19(21-14-26-16-30(21)2)18-6-8-27-25(24(18)29-22)20-7-9-28-32(20)23-5-3-4-11-34-23/h6-9,13-14,16-17,23H,3-5,10-12,15H2,1-2H3/t17-,23?/m1/s1
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n/an/a 5.17n/an/an/an/a7.0n/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
To determine of binding activity of the test compounds, full-length human ATR protein was expressed and purified together with ATRIP as described abo...

US Patent US9549932 (2017)


BindingDB Entry DOI: 10.7270/Q27S7QSC
More data for this
Ligand-Target Pair
ATR-interacting protein/Serine/threonine-protein kinase ATR


(Homo sapiens (Human))		BDBM459561
PNG
(US10772893, Example 70 | US11529356, Example 70)
Show SMILES C[C@@H]1COCCN1c1cc(-c2cncn2C)c2ccnc(-c3ccn[nH]3)c2n1 |r|
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n/an/a 5.17n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
To determine of binding activity of the test compounds, full-length human ATR protein was expressed and purified together with ATRIP as described abo...

US Patent US10772893 (2020)


BindingDB Entry DOI: 10.7270/Q2T43X50
More data for this
Ligand-Target Pair
ATR-interacting protein/Serine/threonine-protein kinase ATR


(Homo sapiens (Human))		BDBM459561
PNG
(US10772893, Example 70 | US11529356, Example 70)
Show SMILES C[C@@H]1COCCN1c1cc(-c2cncn2C)c2ccnc(-c3ccn[nH]3)c2n1 |r|
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TBA

Assay Description
For the assay 50 nl of a 100-fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2474FQK
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))		BDBM268037
PNG
(4-(1-ethyl-1H-pyrazol-5-yl)-2-[(3R)-3-methylmorpho...)
Show SMILES CCn1nccc1-c1cc(nc2c(nccc12)-c1ccnn1C1CCCCO1)N1CCOC[C@H]1C |r|
Show InChI InChI=1S/C26H31N7O2/c1-3-32-21(8-11-28-32)20-16-23(31-13-15-34-17-18(31)2)30-25-19(20)7-10-27-26(25)22-9-12-29-33(22)24-6-4-5-14-35-24/h7-12,16,18,24H,3-6,13-15,17H2,1-2H3/t18-,24?/m1/s1
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n/an/a 5.34n/an/an/an/a7.0n/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
To determine of binding activity of the test compounds, full-length human ATR protein was expressed and purified together with ATRIP as described abo...

US Patent US9549932 (2017)


BindingDB Entry DOI: 10.7270/Q27S7QSC
More data for this
Ligand-Target Pair
ATR-interacting protein/Serine/threonine-protein kinase ATR


(Homo sapiens (Human))		BDBM459560
PNG
(US10772893, Example 69 | US11529356, Example 69)
Show SMILES CCn1nccc1-c1cc(nc2c(nccc12)-c1ccn[nH]1)N1CCOC[C@H]1C |r|
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TBA

Assay Description
For the assay 50 nl of a 100-fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2474FQK
More data for this
Ligand-Target Pair
ATR-interacting protein/Serine/threonine-protein kinase ATR


(Homo sapiens (Human))		BDBM459560
PNG
(US10772893, Example 69 | US11529356, Example 69)
Show SMILES CCn1nccc1-c1cc(nc2c(nccc12)-c1ccn[nH]1)N1CCOC[C@H]1C |r|
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n/an/a 5.34n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
To determine of binding activity of the test compounds, full-length human ATR protein was expressed and purified together with ATRIP as described abo...

US Patent US10772893 (2020)


BindingDB Entry DOI: 10.7270/Q2T43X50
More data for this
Ligand-Target Pair
ATR-interacting protein/Serine/threonine-protein kinase ATR


(Homo sapiens (Human))		BDBM459574
PNG
(US10772893, Example 83 | US11529356, Example 83)
Show SMILES C[C@@H]1COCCN1c1cc(N(C)CC(C)(C)C)c2ccnc(-c3ccn[nH]3)c2n1 |r|
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n/an/a 5.38n/an/an/an/an/an/a


TBA

Assay Description
For the assay 50 nl of a 100-fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2474FQK
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))		BDBM268051
PNG
(N-(2,2-dimethylpropyl)-N-methyl-2-[(3R)-3-methylmo...)
Show SMILES C[C@@H]1COCCN1c1cc(N(C)CC(C)(C)C)c2ccnc(-c3ccnn3C3CCCCO3)c2n1 |r|
Show InChI InChI=1S/C27H38N6O2/c1-19-17-34-15-13-32(19)23-16-22(31(5)18-27(2,3)4)20-9-11-28-26(25(20)30-23)21-10-12-29-33(21)24-8-6-7-14-35-24/h9-12,16,19,24H,6-8,13-15,17-18H2,1-5H3/t19-,24?/m1/s1
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Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
To determine of binding activity of the test compounds, full-length human ATR protein was expressed and purified together with ATRIP as described abo...

US Patent US9549932 (2017)


BindingDB Entry DOI: 10.7270/Q27S7QSC
More data for this
Ligand-Target Pair
ATR-interacting protein/Serine/threonine-protein kinase ATR


(Homo sapiens (Human))		BDBM459574
PNG
(US10772893, Example 83 | US11529356, Example 83)
Show SMILES C[C@@H]1COCCN1c1cc(N(C)CC(C)(C)C)c2ccnc(-c3ccn[nH]3)c2n1 |r|
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n/an/a 5.38n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
To determine of binding activity of the test compounds, full-length human ATR protein was expressed and purified together with ATRIP as described abo...

US Patent US10772893 (2020)


BindingDB Entry DOI: 10.7270/Q2T43X50
More data for this
Ligand-Target Pair
ATR-interacting protein/Serine/threonine-protein kinase ATR


(Homo sapiens (Human))		BDBM459562
PNG
(US10772893, Example 71 | US11529356, Example 71)
Show SMILES C[C@@H]1COCCN1c1cc(-c2ccccc2N)c2ccnc(-c3ccn[nH]3)c2n1 |r|
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n/an/a 5.65n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
To determine of binding activity of the test compounds, full-length human ATR protein was expressed and purified together with ATRIP as described abo...

US Patent US10772893 (2020)


BindingDB Entry DOI: 10.7270/Q2T43X50
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))		BDBM268039
PNG
(2-{2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5...)
Show SMILES C[C@@H]1COCCN1c1cc(-c2ccccc2N)c2ccnc(-c3ccnn3C3CCCCO3)c2n1 |r|
Show InChI InChI=1S/C27H30N6O2/c1-18-17-34-15-13-32(18)24-16-21(19-6-2-3-7-22(19)28)20-9-11-29-27(26(20)31-24)23-10-12-30-33(23)25-8-4-5-14-35-25/h2-3,6-7,9-12,16,18,25H,4-5,8,13-15,17,28H2,1H3/t18-,25?/m1/s1
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Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
To determine of binding activity of the test compounds, full-length human ATR protein was expressed and purified together with ATRIP as described abo...

US Patent US9549932 (2017)


BindingDB Entry DOI: 10.7270/Q27S7QSC
More data for this
Ligand-Target Pair
ATR-interacting protein/Serine/threonine-protein kinase ATR


(Homo sapiens (Human))		BDBM459562
PNG
(US10772893, Example 71 | US11529356, Example 71)
Show SMILES C[C@@H]1COCCN1c1cc(-c2ccccc2N)c2ccnc(-c3ccn[nH]3)c2n1 |r|
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TBA

Assay Description
For the assay 50 nl of a 100-fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2474FQK
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))		BDBM268081
PNG
(4-(1-ethyl-3-methyl-1H-pyrazol-5-yl)-2-[(3R)-3-met...)
Show SMILES CCn1nc(C)cc1-c1cc(nc2c(nccc12)-c1ccnn1C1CCCCO1)N1CCOC[C@H]1C |r|
Show InChI InChI=1S/C27H33N7O2/c1-4-33-23(15-18(2)31-33)21-16-24(32-12-14-35-17-19(32)3)30-26-20(21)8-10-28-27(26)22-9-11-29-34(22)25-7-5-6-13-36-25/h8-11,15-16,19,25H,4-7,12-14,17H2,1-3H3/t19-,25?/m1/s1
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Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
To determine of binding activity of the test compounds, full-length human ATR protein was expressed and purified together with ATRIP as described abo...

US Patent US9549932 (2017)


BindingDB Entry DOI: 10.7270/Q27S7QSC
More data for this
Ligand-Target Pair
ATR-interacting protein/Serine/threonine-protein kinase ATR


(Homo sapiens (Human))		BDBM459604
PNG
(US10772893, Example 113 | US11529356, Example 113)
Show SMILES CCn1nc(C)cc1-c1cc(nc2c(nccc12)-c1ccn[nH]1)N1CCOC[C@H]1C |r|
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TBA

Assay Description
For the assay 50 nl of a 100-fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2474FQK
More data for this
Ligand-Target Pair
ATR-interacting protein/Serine/threonine-protein kinase ATR


(Homo sapiens (Human))		BDBM459604
PNG
(US10772893, Example 113 | US11529356, Example 113)
Show SMILES CCn1nc(C)cc1-c1cc(nc2c(nccc12)-c1ccn[nH]1)N1CCOC[C@H]1C |r|
PDB

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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
To determine of binding activity of the test compounds, full-length human ATR protein was expressed and purified together with ATRIP as described abo...

US Patent US10772893 (2020)


BindingDB Entry DOI: 10.7270/Q2T43X50
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))		BDBM268040
PNG
(4-(2,3-difluorophenyl)-2-[(3R)-3-methylmorpholin-4...)
Show SMILES C[C@@H]1COCCN1c1cc(-c2cccc(F)c2F)c2ccnc(-c3ccnn3C3CCCCO3)c2n1 |r|
Show InChI InChI=1S/C27H27F2N5O2/c1-17-16-35-14-12-33(17)23-15-20(18-5-4-6-21(28)25(18)29)19-8-10-30-27(26(19)32-23)22-9-11-31-34(22)24-7-2-3-13-36-24/h4-6,8-11,15,17,24H,2-3,7,12-14,16H2,1H3/t17-,24?/m1/s1
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Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
To determine of binding activity of the test compounds, full-length human ATR protein was expressed and purified together with ATRIP as described abo...

US Patent US9549932 (2017)


BindingDB Entry DOI: 10.7270/Q27S7QSC
More data for this
Ligand-Target Pair
ATR-interacting protein/Serine/threonine-protein kinase ATR


(Homo sapiens (Human))		BDBM459563
PNG
(US10772893, Example 72 | US11529356, Example 72)
Show SMILES C[C@@H]1COCCN1c1cc(-c2cccc(F)c2F)c2ccnc(-c3ccn[nH]3)c2n1 |r|
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TBA

Assay Description
For the assay 50 nl of a 100-fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2474FQK
More data for this
Ligand-Target Pair
ATR-interacting protein/Serine/threonine-protein kinase ATR


(Homo sapiens (Human))		BDBM459563
PNG
(US10772893, Example 72 | US11529356, Example 72)
Show SMILES C[C@@H]1COCCN1c1cc(-c2cccc(F)c2F)c2ccnc(-c3ccn[nH]3)c2n1 |r|
PDB

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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
To determine of binding activity of the test compounds, full-length human ATR protein was expressed and purified together with ATRIP as described abo...

US Patent US10772893 (2020)


BindingDB Entry DOI: 10.7270/Q2T43X50
More data for this
Ligand-Target Pair
ATR-interacting protein/Serine/threonine-protein kinase ATR


(Homo sapiens (Human))		BDBM459517
PNG
(US10772893, Example 26 | US11529356, Example 26)
Show SMILES C[C@@H]1COCCN1c1cc(-c2ccc(cc2)S(C)(=O)=O)c2ccnc(-c3cc[nH]n3)c2n1 |r|
PDB

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TBA

Assay Description
For the assay 50 nl of a 100-fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2474FQK
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))		BDBM267994
PNG
(4-(4-methanesulphonylphenyl)-2-((R)-3-methylmorpho...)
Show SMILES C[C@@H]1COCCN1c1cc(-c2ccc(cc2)S(C)(=O)=O)c2ccnc(-c3ccnn3C3CCCCO3)c2n1 |r|
Show InChI InChI=1S/C28H31N5O4S/c1-19-18-36-16-14-32(19)25-17-23(20-6-8-21(9-7-20)38(2,34)35)22-10-12-29-28(27(22)31-25)24-11-13-30-33(24)26-5-3-4-15-37-26/h6-13,17,19,26H,3-5,14-16,18H2,1-2H3/t19-,26?/m1/s1
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Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
To determine of binding activity of the test compounds, full-length human ATR protein was expressed and purified together with ATRIP as described abo...

US Patent US9549932 (2017)


BindingDB Entry DOI: 10.7270/Q27S7QSC
More data for this
Ligand-Target Pair
ATR-interacting protein/Serine/threonine-protein kinase ATR


(Homo sapiens (Human))		BDBM459517
PNG
(US10772893, Example 26 | US11529356, Example 26)
Show SMILES C[C@@H]1COCCN1c1cc(-c2ccc(cc2)S(C)(=O)=O)c2ccnc(-c3cc[nH]n3)c2n1 |r|
PDB

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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
To determine of binding activity of the test compounds, full-length human ATR protein was expressed and purified together with ATRIP as described abo...

US Patent US10772893 (2020)


BindingDB Entry DOI: 10.7270/Q2T43X50
More data for this
Ligand-Target Pair
ATR-interacting protein/Serine/threonine-protein kinase ATR


(Homo sapiens (Human))		BDBM268067
PNG
(2-[(3R)-3-methylmorpholin-4-yl]-4-(3-methyl-2-thie...)
Show SMILES C[C@@H]1COCCN1c1cc(-c2sccc2C)c2ccnc(-c3ccn[nH]3)c2n1 |r|
PDB

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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
To determine of binding activity of the test compounds, full-length human ATR protein was expressed and purified together with ATRIP as described abo...

US Patent US10772893 (2020)


BindingDB Entry DOI: 10.7270/Q2T43X50
More data for this
Ligand-Target Pair
ATR-interacting protein/Serine/threonine-protein kinase ATR


(Homo sapiens (Human))		BDBM268067
PNG
(2-[(3R)-3-methylmorpholin-4-yl]-4-(3-methyl-2-thie...)
Show SMILES C[C@@H]1COCCN1c1cc(-c2sccc2C)c2ccnc(-c3ccn[nH]3)c2n1 |r|
PDB

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TBA

Assay Description
For the assay 50 nl of a 100-fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2474FQK
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))		BDBM268067
PNG
(2-[(3R)-3-methylmorpholin-4-yl]-4-(3-methyl-2-thie...)
Show SMILES C[C@@H]1COCCN1c1cc(-c2sccc2C)c2ccnc(-c3ccn[nH]3)c2n1 |r|
PDB

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Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
To determine of binding activity of the test compounds, full-length human ATR protein was expressed and purified together with ATRIP as described abo...

US Patent US9549932 (2017)


BindingDB Entry DOI: 10.7270/Q27S7QSC
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))		BDBM268219
PNG
(US10772893, Example 252 | US11529356, Example 252 ...)
Show SMILES C[C@@H]1COCCN1c1cc(-c2c[nH]nc2C(F)(F)F)c2ccnc(-c3ccn[nH]3)c2n1 |r|
Show InChI InChI=1S/C20H16F3N7O/c1-11-10-31-7-6-30(11)16-8-13(14-9-26-29-19(14)20(21,22)23)12-2-4-24-18(17(12)27-16)15-3-5-25-28-15/h2-5,8-9,11H,6-7,10H2,1H3/b14-13+,18-15-/t11-/m1/s1
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Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
To determine of binding activity of the test compounds, full-length human ATR protein was expressed and purified together with ATRIP as described abo...

US Patent US9549932 (2017)


BindingDB Entry DOI: 10.7270/Q27S7QSC
More data for this
Ligand-Target Pair
ATR-interacting protein/Serine/threonine-protein kinase ATR


(Homo sapiens (Human))		BDBM268219
PNG
(US10772893, Example 252 | US11529356, Example 252 ...)
Show SMILES C[C@@H]1COCCN1c1cc(-c2c[nH]nc2C(F)(F)F)c2ccnc(-c3ccn[nH]3)c2n1 |r|
Show InChI InChI=1S/C20H16F3N7O/c1-11-10-31-7-6-30(11)16-8-13(14-9-26-29-19(14)20(21,22)23)12-2-4-24-18(17(12)27-16)15-3-5-25-28-15/h2-5,8-9,11H,6-7,10H2,1H3/b14-13+,18-15-/t11-/m1/s1
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
To determine of binding activity of the test compounds, full-length human ATR protein was expressed and purified together with ATRIP as described abo...

US Patent US10772893 (2020)


BindingDB Entry DOI: 10.7270/Q2T43X50
More data for this
Ligand-Target Pair
ATR-interacting protein/Serine/threonine-protein kinase ATR


(Homo sapiens (Human))		BDBM268219
PNG
(US10772893, Example 252 | US11529356, Example 252 ...)
Show SMILES C[C@@H]1COCCN1c1cc(-c2c[nH]nc2C(F)(F)F)c2ccnc(-c3ccn[nH]3)c2n1 |r|
Show InChI InChI=1S/C20H16F3N7O/c1-11-10-31-7-6-30(11)16-8-13(14-9-26-29-19(14)20(21,22)23)12-2-4-24-18(17(12)27-16)15-3-5-25-28-15/h2-5,8-9,11H,6-7,10H2,1H3/b14-13+,18-15-/t11-/m1/s1
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TBA

Assay Description
For the assay 50 nl of a 100-fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2474FQK
More data for this
Ligand-Target Pair
ATR-interacting protein/Serine/threonine-protein kinase ATR


(Homo sapiens (Human))		BDBM459575
PNG
(US10772893, Example 84 | US11529356, Example 84)
Show SMILES C[C@@H]1COCCN1c1cc(N2CCC(CO)CC2)c2ccnc(-c3ccn[nH]3)c2n1 |r|
PDB

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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
To determine of binding activity of the test compounds, full-length human ATR protein was expressed and purified together with ATRIP as described abo...

US Patent US10772893 (2020)


BindingDB Entry DOI: 10.7270/Q2T43X50
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))		BDBM268052
PNG
((1-{2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-...)
Show SMILES C[C@@H]1COCCN1c1cc(N2CCC(CO)CC2)c2ccnc(-c3ccnn3C3CCCCO3)c2n1 |r|
Show InChI InChI=1S/C27H36N6O3/c1-19-18-35-15-13-32(19)24-16-23(31-11-7-20(17-34)8-12-31)21-5-9-28-27(26(21)30-24)22-6-10-29-33(22)25-4-2-3-14-36-25/h5-6,9-10,16,19-20,25,34H,2-4,7-8,11-15,17-18H2,1H3/t19-,25?/m1/s1
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Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
To determine of binding activity of the test compounds, full-length human ATR protein was expressed and purified together with ATRIP as described abo...

US Patent US9549932 (2017)


BindingDB Entry DOI: 10.7270/Q27S7QSC
More data for this
Ligand-Target Pair
ATR-interacting protein/Serine/threonine-protein kinase ATR


(Homo sapiens (Human))		BDBM459575
PNG
(US10772893, Example 84 | US11529356, Example 84)
Show SMILES C[C@@H]1COCCN1c1cc(N2CCC(CO)CC2)c2ccnc(-c3ccn[nH]3)c2n1 |r|
PDB

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TBA

Assay Description
For the assay 50 nl of a 100-fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2474FQK
More data for this
Ligand-Target Pair
ATR-interacting protein/Serine/threonine-protein kinase ATR


(Homo sapiens (Human))		BDBM268217
PNG
(US10772893, Example 250 | US11529356, Example 250 ...)
Show SMILES C[C@@H]1COCCN1c1cc(-c2cnn(C)c2C)c2ccnc(-c3ccn[nH]3)c2n1 |r|
PDB

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TBA

Assay Description
For the assay 50 nl of a 100-fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2474FQK
More data for this
Ligand-Target Pair
ATR-interacting protein/Serine/threonine-protein kinase ATR


(Homo sapiens (Human))		BDBM268217
PNG
(US10772893, Example 250 | US11529356, Example 250 ...)
Show SMILES C[C@@H]1COCCN1c1cc(-c2cnn(C)c2C)c2ccnc(-c3ccn[nH]3)c2n1 |r|
PDB

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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
To determine of binding activity of the test compounds, full-length human ATR protein was expressed and purified together with ATRIP as described abo...

US Patent US10772893 (2020)


BindingDB Entry DOI: 10.7270/Q2T43X50
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))		BDBM268217
PNG
(US10772893, Example 250 | US11529356, Example 250 ...)
Show SMILES C[C@@H]1COCCN1c1cc(-c2cnn(C)c2C)c2ccnc(-c3ccn[nH]3)c2n1 |r|
PDB

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Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
To determine of binding activity of the test compounds, full-length human ATR protein was expressed and purified together with ATRIP as described abo...

US Patent US9549932 (2017)


BindingDB Entry DOI: 10.7270/Q27S7QSC
More data for this
Ligand-Target Pair
ATR-interacting protein/Serine/threonine-protein kinase ATR


(Homo sapiens (Human))		BDBM459564
PNG
(US10772893, Example 73 | US11529356, Example 73)
Show SMILES C[C@@H]1COCCN1c1cc(-c2ccc(nc2C)S(C)(=O)=O)c2ccnc(-c3ccn[nH]3)c2n1 |r|
PDB

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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
To determine of binding activity of the test compounds, full-length human ATR protein was expressed and purified together with ATRIP as described abo...

US Patent US10772893 (2020)


BindingDB Entry DOI: 10.7270/Q2T43X50
More data for this
Ligand-Target Pair
ATR-interacting protein/Serine/threonine-protein kinase ATR


(Homo sapiens (Human))		BDBM459564
PNG
(US10772893, Example 73 | US11529356, Example 73)
Show SMILES C[C@@H]1COCCN1c1cc(-c2ccc(nc2C)S(C)(=O)=O)c2ccnc(-c3ccn[nH]3)c2n1 |r|
PDB

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TBA

Assay Description
For the assay 50 nl of a 100-fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2474FQK
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))		BDBM268041
PNG
(4-[2-methyl-6-(methylsulfonyl)pyridin-3-yl]-2-[(3R...)
Show SMILES C[C@@H]1COCCN1c1cc(-c2ccc(nc2C)S(C)(=O)=O)c2ccnc(-c3ccnn3C3CCCCO3)c2n1 |r|
Show InChI InChI=1S/C28H32N6O4S/c1-18-17-37-15-13-33(18)24-16-22(20-7-8-25(31-19(20)2)39(3,35)36)21-9-11-29-28(27(21)32-24)23-10-12-30-34(23)26-6-4-5-14-38-26/h7-12,16,18,26H,4-6,13-15,17H2,1-3H3/t18-,26?/m1/s1
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Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
To determine of binding activity of the test compounds, full-length human ATR protein was expressed and purified together with ATRIP as described abo...

US Patent US9549932 (2017)


BindingDB Entry DOI: 10.7270/Q27S7QSC
More data for this
Ligand-Target Pair
ATR-interacting protein/Serine/threonine-protein kinase ATR


(Homo sapiens (Human))		BDBM268172
PNG
(US10772893, Example 204 | US11529356, Example 204 ...)
Show SMILES C[C@@H]1COCCN1c1cc(C2CCS(=O)(=O)CC2)c2ccnc(-c3ccn[nH]3)c2n1 |r|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 6.76n/an/an/an/an/an/a


TBA

Assay Description
For the assay 50 nl of a 100-fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2474FQK
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))		BDBM268172
PNG
(US10772893, Example 204 | US11529356, Example 204 ...)
Show SMILES C[C@@H]1COCCN1c1cc(C2CCS(=O)(=O)CC2)c2ccnc(-c3ccn[nH]3)c2n1 |r|
PDB

Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 6.76n/an/an/an/a7.0n/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
To determine of binding activity of the test compounds, full-length human ATR protein was expressed and purified together with ATRIP as described abo...

US Patent US9549932 (2017)


BindingDB Entry DOI: 10.7270/Q27S7QSC
More data for this
Ligand-Target Pair
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