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USPatent US9663519

Compile data set for download or QSAR
Found 33 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/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))		BDBM329661
PNG
(US9663519, Compound I-1)
Show SMILES Cc1ccncc1NC(=O)c1c(N)nn2cc3CNCCc3nc12
Show InChI InChI=1S/C16H17N7O/c1-9-2-4-19-7-12(9)21-16(24)13-14(17)22-23-8-10-6-18-5-3-11(10)20-15(13)23/h2,4,7-8,18H,3,5-6H2,1H3,(H2,17,22)(H,21,24)
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 505n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Incorporated

US Patent


Assay Description
Compounds were screened for their ability to inhibit ATR kinase using a radioactive-phosphate incorporation assay. Assays were carried out in a mixtu...

US Patent US9663519 (2017)


BindingDB Entry DOI: 10.7270/Q2WW7KT3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))		BDBM329673
PNG
(US9663519, Compound I-13)
Show SMILES COc1ccncc1NC(=O)c1c(N)nn2cc3CN(C)CCc3nc12
Show InChI InChI=1S/C17H19N7O2/c1-23-6-4-11-10(8-23)9-24-16(20-11)14(15(18)22-24)17(25)21-12-7-19-5-3-13(12)26-2/h3,5,7,9H,4,6,8H2,1-2H3,(H2,18,22)(H,21,25)
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 505n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Incorporated

US Patent


Assay Description
Compounds were screened for their ability to inhibit ATR kinase using a radioactive-phosphate incorporation assay. Assays were carried out in a mixtu...

US Patent US9663519 (2017)


BindingDB Entry DOI: 10.7270/Q2WW7KT3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))		BDBM329692
PNG
(US9663519, Compound I-32)
Show SMILES Cn1cncc1-c1ccncc1NC(=O)c1c(N)nn2cc3CN(CCc3nc12)C1COC1
Show InChI InChI=1S/C22H23N9O2/c1-29-12-25-7-18(29)15-2-4-24-6-17(15)27-22(32)19-20(23)28-31-9-13-8-30(14-10-33-11-14)5-3-16(13)26-21(19)31/h2,4,6-7,9,12,14H,3,5,8,10-11H2,1H3,(H2,23,28)(H,27,32)
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 505n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Incorporated

US Patent


Assay Description
Compounds were screened for their ability to inhibit ATR kinase using a radioactive-phosphate incorporation assay. Assays were carried out in a mixtu...

US Patent US9663519 (2017)


BindingDB Entry DOI: 10.7270/Q2WW7KT3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))		BDBM329668
PNG
(US9663519, Compound I-8)
Show SMILES Nc1nn2cc3CNCCc3nc2c1C(=O)Nc1cnccc1OC1CCOCC1
Show InChI InChI=1S/C20H23N7O3/c21-18-17(19-24-14-1-5-22-9-12(14)11-27(19)26-18)20(28)25-15-10-23-6-2-16(15)30-13-3-7-29-8-4-13/h2,6,10-11,13,22H,1,3-5,7-9H2,(H2,21,26)(H,25,28)
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 505n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Incorporated

US Patent


Assay Description
Compounds were screened for their ability to inhibit ATR kinase using a radioactive-phosphate incorporation assay. Assays were carried out in a mixtu...

US Patent US9663519 (2017)


BindingDB Entry DOI: 10.7270/Q2WW7KT3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))		BDBM329675
PNG
(US9663519, Compound I-15)
Show SMILES CN1CCc2nc3c(C(=O)Nc4cncnc4C4CC4)c(N)nn3cc2C1
Show InChI InChI=1S/C18H20N8O/c1-25-5-4-12-11(7-25)8-26-17(22-12)14(16(19)24-26)18(27)23-13-6-20-9-21-15(13)10-2-3-10/h6,8-10H,2-5,7H2,1H3,(H2,19,24)(H,23,27)
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 505n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Incorporated

US Patent


Assay Description
Compounds were screened for their ability to inhibit ATR kinase using a radioactive-phosphate incorporation assay. Assays were carried out in a mixtu...

US Patent US9663519 (2017)


BindingDB Entry DOI: 10.7270/Q2WW7KT3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))		BDBM329683
PNG
(US9663519, Compound I-23)
Show SMILES Nc1nn2cc3CN(CCc3nc2c1C(=O)Nc1cnccc1-c1ccccc1)C1COC1
Show InChI InChI=1S/C24H23N7O2/c25-22-21(24(32)28-20-10-26-8-6-18(20)15-4-2-1-3-5-15)23-27-19-7-9-30(17-13-33-14-17)11-16(19)12-31(23)29-22/h1-6,8,10,12,17H,7,9,11,13-14H2,(H2,25,29)(H,28,32)
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 505n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Incorporated

US Patent


Assay Description
Compounds were screened for their ability to inhibit ATR kinase using a radioactive-phosphate incorporation assay. Assays were carried out in a mixtu...

US Patent US9663519 (2017)


BindingDB Entry DOI: 10.7270/Q2WW7KT3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))		BDBM329684
PNG
(US9663519, Compound I-24)
Show SMILES COc1ccncc1NC(=O)c1c(N)nn2cc3CN(CCc3nc12)C1COC1
Show InChI InChI=1S/C19H21N7O3/c1-28-15-2-4-21-6-14(15)23-19(27)16-17(20)24-26-8-11-7-25(12-9-29-10-12)5-3-13(11)22-18(16)26/h2,4,6,8,12H,3,5,7,9-10H2,1H3,(H2,20,24)(H,23,27)
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 505n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Incorporated

US Patent


Assay Description
Compounds were screened for their ability to inhibit ATR kinase using a radioactive-phosphate incorporation assay. Assays were carried out in a mixtu...

US Patent US9663519 (2017)


BindingDB Entry DOI: 10.7270/Q2WW7KT3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))		BDBM329669
PNG
(US9663519, Compound I-9)
Show SMILES COc1ncncc1NC(=O)c1c(N)nn2cc3CNCCc3nc12
Show InChI InChI=1S/C15H16N8O2/c1-25-15-10(5-18-7-19-15)21-14(24)11-12(16)22-23-6-8-4-17-3-2-9(8)20-13(11)23/h5-7,17H,2-4H2,1H3,(H2,16,22)(H,21,24)
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Vertex Pharmaceuticals Incorporated

US Patent


Assay Description
Compounds were screened for their ability to inhibit ATR kinase using a radioactive-phosphate incorporation assay. Assays were carried out in a mixtu...

US Patent US9663519 (2017)


BindingDB Entry DOI: 10.7270/Q2WW7KT3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))		BDBM329672
PNG
(US9663519, Compound I-12)
Show SMILES CN1CCc2nc3c(C(=O)Nc4cncc(F)c4C4CC4)c(N)nn3cc2C1
Show InChI InChI=1S/C19H20FN7O/c1-26-5-4-13-11(8-26)9-27-18(23-13)16(17(21)25-27)19(28)24-14-7-22-6-12(20)15(14)10-2-3-10/h6-7,9-10H,2-5,8H2,1H3,(H2,21,25)(H,24,28)
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Vertex Pharmaceuticals Incorporated

US Patent


Assay Description
Compounds were screened for their ability to inhibit ATR kinase using a radioactive-phosphate incorporation assay. Assays were carried out in a mixtu...

US Patent US9663519 (2017)


BindingDB Entry DOI: 10.7270/Q2WW7KT3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))		BDBM329674
PNG
(US9663519, Compound I-14)
Show SMILES CN1CCc2nc3c(C(=O)Nc4cnccc4OC4COC4)c(N)nn3cc2C1
Show InChI InChI=1S/C19H21N7O3/c1-25-5-3-13-11(7-25)8-26-18(22-13)16(17(20)24-26)19(27)23-14-6-21-4-2-15(14)29-12-9-28-10-12/h2,4,6,8,12H,3,5,7,9-10H2,1H3,(H2,20,24)(H,23,27)
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Vertex Pharmaceuticals Incorporated

US Patent


Assay Description
Compounds were screened for their ability to inhibit ATR kinase using a radioactive-phosphate incorporation assay. Assays were carried out in a mixtu...

US Patent US9663519 (2017)


BindingDB Entry DOI: 10.7270/Q2WW7KT3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))		BDBM329687
PNG
(US9663519, Compound I-27)
Show SMILES COc1ncncc1NC(=O)c1c(N)nn2cc3CN(CCc3nc12)C1COC1
Show InChI InChI=1S/C18H20N8O3/c1-28-18-13(4-20-9-21-18)23-17(27)14-15(19)24-26-6-10-5-25(11-7-29-8-11)3-2-12(10)22-16(14)26/h4,6,9,11H,2-3,5,7-8H2,1H3,(H2,19,24)(H,23,27)
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Vertex Pharmaceuticals Incorporated

US Patent


Assay Description
Compounds were screened for their ability to inhibit ATR kinase using a radioactive-phosphate incorporation assay. Assays were carried out in a mixtu...

US Patent US9663519 (2017)


BindingDB Entry DOI: 10.7270/Q2WW7KT3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))		BDBM329691
PNG
(US9663519, Compound I-31)
Show SMILES COc1ccncc1NC(=O)c1c(N)nn2cc3CNCC(C)(C)c3nc12
Show InChI InChI=1S/C18H21N7O2/c1-18(2)9-21-6-10-8-25-16(23-14(10)18)13(15(19)24-25)17(26)22-11-7-20-5-4-12(11)27-3/h4-5,7-8,21H,6,9H2,1-3H3,(H2,19,24)(H,22,26)
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Vertex Pharmaceuticals Incorporated

US Patent


Assay Description
Compounds were screened for their ability to inhibit ATR kinase using a radioactive-phosphate incorporation assay. Assays were carried out in a mixtu...

US Patent US9663519 (2017)


BindingDB Entry DOI: 10.7270/Q2WW7KT3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))		BDBM329662
PNG
(US9663519, Compound I-2)
Show SMILES COc1ccncc1NC(=O)c1c(N)nn2cc3CNCCc3nc12
Show InChI InChI=1S/C16H17N7O2/c1-25-12-3-5-19-7-11(12)21-16(24)13-14(17)22-23-8-9-6-18-4-2-10(9)20-15(13)23/h3,5,7-8,18H,2,4,6H2,1H3,(H2,17,22)(H,21,24)
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Vertex Pharmaceuticals Incorporated

US Patent


Assay Description
Compounds were screened for their ability to inhibit ATR kinase using a radioactive-phosphate incorporation assay. Assays were carried out in a mixtu...

US Patent US9663519 (2017)


BindingDB Entry DOI: 10.7270/Q2WW7KT3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))		BDBM329664
PNG
(US9663519, Compound I-4)
Show SMILES Nc1nn2cc3CNCCc3nc2c1C(=O)Nc1cnccc1OCC(F)(F)F
Show InChI InChI=1S/C17H16F3N7O2/c18-17(19,20)8-29-12-2-4-23-6-11(12)25-16(28)13-14(21)26-27-7-9-5-22-3-1-10(9)24-15(13)27/h2,4,6-7,22H,1,3,5,8H2,(H2,21,26)(H,25,28)
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Vertex Pharmaceuticals Incorporated

US Patent


Assay Description
Compounds were screened for their ability to inhibit ATR kinase using a radioactive-phosphate incorporation assay. Assays were carried out in a mixtu...

US Patent US9663519 (2017)


BindingDB Entry DOI: 10.7270/Q2WW7KT3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))		BDBM329666
PNG
(US9663519, Compound I-6)
Show SMILES COc1cc(Cl)ncc1NC(=O)c1c(N)nn2cc3CNCCc3nc12
Show InChI InChI=1S/C16H16ClN7O2/c1-26-11-4-12(17)20-6-10(11)22-16(25)13-14(18)23-24-7-8-5-19-3-2-9(8)21-15(13)24/h4,6-7,19H,2-3,5H2,1H3,(H2,18,23)(H,22,25)
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Vertex Pharmaceuticals Incorporated

US Patent


Assay Description
Compounds were screened for their ability to inhibit ATR kinase using a radioactive-phosphate incorporation assay. Assays were carried out in a mixtu...

US Patent US9663519 (2017)


BindingDB Entry DOI: 10.7270/Q2WW7KT3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))		BDBM329676
PNG
(US9663519, Compound I-16)
Show SMILES CC(C)Oc1ncncc1NC(=O)c1c(N)nn2cc3CN(C)CCc3nc12
Show InChI InChI=1S/C18H22N8O2/c1-10(2)28-18-13(6-20-9-21-18)23-17(27)14-15(19)24-26-8-11-7-25(3)5-4-12(11)22-16(14)26/h6,8-10H,4-5,7H2,1-3H3,(H2,19,24)(H,23,27)
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Vertex Pharmaceuticals Incorporated

US Patent


Assay Description
Compounds were screened for their ability to inhibit ATR kinase using a radioactive-phosphate incorporation assay. Assays were carried out in a mixtu...

US Patent US9663519 (2017)


BindingDB Entry DOI: 10.7270/Q2WW7KT3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))		BDBM329688
PNG
(US9663519, Compound I-28)
Show SMILES COCCN1CCc2nc3c(C(=O)Nc4cnccc4C4CC4)c(N)nn3cc2C1
Show InChI InChI=1S/C21H25N7O2/c1-30-9-8-27-7-5-16-14(11-27)12-28-20(24-16)18(19(22)26-28)21(29)25-17-10-23-6-4-15(17)13-2-3-13/h4,6,10,12-13H,2-3,5,7-9,11H2,1H3,(H2,22,26)(H,25,29)
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Vertex Pharmaceuticals Incorporated

US Patent


Assay Description
Compounds were screened for their ability to inhibit ATR kinase using a radioactive-phosphate incorporation assay. Assays were carried out in a mixtu...

US Patent US9663519 (2017)


BindingDB Entry DOI: 10.7270/Q2WW7KT3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))		BDBM329690
PNG
(US9663519, Compound I-30)
Show SMILES CN1CCc2nc3c(C(=O)Nc4cnccc4OCC(F)(F)F)c(N)nn3cc2C1
Show InChI InChI=1S/C18H18F3N7O2/c1-27-5-3-11-10(7-27)8-28-16(24-11)14(15(22)26-28)17(29)25-12-6-23-4-2-13(12)30-9-18(19,20)21/h2,4,6,8H,3,5,7,9H2,1H3,(H2,22,26)(H,25,29)
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Vertex Pharmaceuticals Incorporated

US Patent


Assay Description
Compounds were screened for their ability to inhibit ATR kinase using a radioactive-phosphate incorporation assay. Assays were carried out in a mixtu...

US Patent US9663519 (2017)


BindingDB Entry DOI: 10.7270/Q2WW7KT3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))		BDBM329665
PNG
(US9663519, Compound I-5)
Show SMILES COc1c(Cl)cncc1NC(=O)c1c(N)nn2cc3CNCCc3nc12
Show InChI InChI=1S/C16H16ClN7O2/c1-26-13-9(17)5-20-6-11(13)22-16(25)12-14(18)23-24-7-8-4-19-3-2-10(8)21-15(12)24/h5-7,19H,2-4H2,1H3,(H2,18,23)(H,22,25)
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Vertex Pharmaceuticals Incorporated

US Patent


Assay Description
Compounds were screened for their ability to inhibit ATR kinase using a radioactive-phosphate incorporation assay. Assays were carried out in a mixtu...

US Patent US9663519 (2017)


BindingDB Entry DOI: 10.7270/Q2WW7KT3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))		BDBM329670
PNG
(US9663519, Compound I-10)
Show SMILES CC(C)Oc1ncncc1NC(=O)c1c(N)nn2cc3CNCCc3nc12
Show InChI InChI=1S/C17H20N8O2/c1-9(2)27-17-12(6-20-8-21-17)23-16(26)13-14(18)24-25-7-10-5-19-4-3-11(10)22-15(13)25/h6-9,19H,3-5H2,1-2H3,(H2,18,24)(H,23,26)
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Vertex Pharmaceuticals Incorporated

US Patent


Assay Description
Compounds were screened for their ability to inhibit ATR kinase using a radioactive-phosphate incorporation assay. Assays were carried out in a mixtu...

US Patent US9663519 (2017)


BindingDB Entry DOI: 10.7270/Q2WW7KT3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))		BDBM329677
PNG
(US9663519, Compound I-17)
Show SMILES COc1ccncc1NC(=O)c1c(N)nn2cc3CN(CCc3nc12)C(C)C
Show InChI InChI=1S/C19H23N7O2/c1-11(2)25-7-5-13-12(9-25)10-26-18(22-13)16(17(20)24-26)19(27)23-14-8-21-6-4-15(14)28-3/h4,6,8,10-11H,5,7,9H2,1-3H3,(H2,20,24)(H,23,27)
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Vertex Pharmaceuticals Incorporated

US Patent


Assay Description
Compounds were screened for their ability to inhibit ATR kinase using a radioactive-phosphate incorporation assay. Assays were carried out in a mixtu...

US Patent US9663519 (2017)


BindingDB Entry DOI: 10.7270/Q2WW7KT3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))		BDBM329681
PNG
(US9663519, Compound I-21)
Show SMILES Nc1nn2cc3CN(CCc3nc2c1C(=O)Nc1cnccc1C1CC1)C1COC1
Show InChI InChI=1S/C21H23N7O2/c22-19-18(21(29)25-17-7-23-5-3-15(17)12-1-2-12)20-24-16-4-6-27(14-10-30-11-14)8-13(16)9-28(20)26-19/h3,5,7,9,12,14H,1-2,4,6,8,10-11H2,(H2,22,26)(H,25,29)
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 505n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Incorporated

US Patent


Assay Description
Compounds were screened for their ability to inhibit ATR kinase using a radioactive-phosphate incorporation assay. Assays were carried out in a mixtu...

US Patent US9663519 (2017)


BindingDB Entry DOI: 10.7270/Q2WW7KT3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))		BDBM329682
PNG
(US9663519, Compound I-22)
Show SMILES Nc1nn2cc3CN(CCc3nc2c1C(=O)Nc1cncc(F)c1C1CC1)C1COC1
Show InChI InChI=1S/C21H22FN7O2/c22-14-5-24-6-16(17(14)11-1-2-11)26-21(30)18-19(23)27-29-8-12-7-28(13-9-31-10-13)4-3-15(12)25-20(18)29/h5-6,8,11,13H,1-4,7,9-10H2,(H2,23,27)(H,26,30)
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 505n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Incorporated

US Patent


Assay Description
Compounds were screened for their ability to inhibit ATR kinase using a radioactive-phosphate incorporation assay. Assays were carried out in a mixtu...

US Patent US9663519 (2017)


BindingDB Entry DOI: 10.7270/Q2WW7KT3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))		BDBM329685
PNG
(US9663519, Compound I-25)
Show SMILES COc1cc(Cl)ncc1NC(=O)c1c(N)nn2cc3CN(CCc3nc12)C1COC1
Show InChI InChI=1S/C19H20ClN7O3/c1-29-14-4-15(20)22-5-13(14)24-19(28)16-17(21)25-27-7-10-6-26(11-8-30-9-11)3-2-12(10)23-18(16)27/h4-5,7,11H,2-3,6,8-9H2,1H3,(H2,21,25)(H,24,28)
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 505n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Incorporated

US Patent


Assay Description
Compounds were screened for their ability to inhibit ATR kinase using a radioactive-phosphate incorporation assay. Assays were carried out in a mixtu...

US Patent US9663519 (2017)


BindingDB Entry DOI: 10.7270/Q2WW7KT3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))		BDBM329689
PNG
(US9663519, Compound I-29)
Show SMILES COc1ccncc1NC(=O)c1c(N)nn2cc3CN(CCc3nc12)C(C)(C)C
Show InChI InChI=1S/C20H25N7O2/c1-20(2,3)26-8-6-13-12(10-26)11-27-18(23-13)16(17(21)25-27)19(28)24-14-9-22-7-5-15(14)29-4/h5,7,9,11H,6,8,10H2,1-4H3,(H2,21,25)(H,24,28)
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 505n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Incorporated

US Patent


Assay Description
Compounds were screened for their ability to inhibit ATR kinase using a radioactive-phosphate incorporation assay. Assays were carried out in a mixtu...

US Patent US9663519 (2017)


BindingDB Entry DOI: 10.7270/Q2WW7KT3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))		BDBM329667
PNG
(US9663519, Compound I-7)
Show SMILES COc1cc(Cl)ncc1NC(=O)c1c(N)nn2cc3CN(C)CCc3nc12
Show InChI InChI=1S/C17H18ClN7O2/c1-24-4-3-10-9(7-24)8-25-16(21-10)14(15(19)23-25)17(26)22-11-6-20-13(18)5-12(11)27-2/h5-6,8H,3-4,7H2,1-2H3,(H2,19,23)(H,22,26)
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 505n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Incorporated

US Patent


Assay Description
Compounds were screened for their ability to inhibit ATR kinase using a radioactive-phosphate incorporation assay. Assays were carried out in a mixtu...

US Patent US9663519 (2017)


BindingDB Entry DOI: 10.7270/Q2WW7KT3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))		BDBM329671
PNG
(US9663519, Compound I-11)
Show SMILES CN1CCc2nc3c(C(=O)Nc4cnccc4C4CC4)c(N)nn3cc2C1
Show InChI InChI=1S/C19H21N7O/c1-25-7-5-14-12(9-25)10-26-18(22-14)16(17(20)24-26)19(27)23-15-8-21-6-4-13(15)11-2-3-11/h4,6,8,10-11H,2-3,5,7,9H2,1H3,(H2,20,24)(H,23,27)
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 505n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Incorporated

US Patent


Assay Description
Compounds were screened for their ability to inhibit ATR kinase using a radioactive-phosphate incorporation assay. Assays were carried out in a mixtu...

US Patent US9663519 (2017)


BindingDB Entry DOI: 10.7270/Q2WW7KT3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))		BDBM329678
PNG
(US9663519, Compound I-18)
Show SMILES COc1ccncc1NC(=O)c1c(N)nn2cc3CN(CCc3nc12)C1CC1
Show InChI InChI=1S/C19H21N7O2/c1-28-15-4-6-21-8-14(15)23-19(27)16-17(20)24-26-10-11-9-25(12-2-3-12)7-5-13(11)22-18(16)26/h4,6,8,10,12H,2-3,5,7,9H2,1H3,(H2,20,24)(H,23,27)
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 505n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Incorporated

US Patent


Assay Description
Compounds were screened for their ability to inhibit ATR kinase using a radioactive-phosphate incorporation assay. Assays were carried out in a mixtu...

US Patent US9663519 (2017)


BindingDB Entry DOI: 10.7270/Q2WW7KT3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))		BDBM329679
PNG
(US9663519, Compound I-19)
Show SMILES COc1ccncc1NC(=O)c1c(N)nn2cc3CN(CCF)CCc3nc12
Show InChI InChI=1S/C18H20FN7O2/c1-28-14-2-5-21-8-13(14)23-18(27)15-16(20)24-26-10-11-9-25(7-4-19)6-3-12(11)22-17(15)26/h2,5,8,10H,3-4,6-7,9H2,1H3,(H2,20,24)(H,23,27)
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 505n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Incorporated

US Patent


Assay Description
Compounds were screened for their ability to inhibit ATR kinase using a radioactive-phosphate incorporation assay. Assays were carried out in a mixtu...

US Patent US9663519 (2017)


BindingDB Entry DOI: 10.7270/Q2WW7KT3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))		BDBM329680
PNG
(US9663519, Compound I-20)
Show SMILES Cc1ccncc1NC(=O)c1c(N)nn2cc3CN(CCc3nc12)C1COC1
Show InChI InChI=1S/C19H21N7O2/c1-11-2-4-21-6-15(11)23-19(27)16-17(20)24-26-8-12-7-25(13-9-28-10-13)5-3-14(12)22-18(16)26/h2,4,6,8,13H,3,5,7,9-10H2,1H3,(H2,20,24)(H,23,27)
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Vertex Pharmaceuticals Incorporated

US Patent


Assay Description
Compounds were screened for their ability to inhibit ATR kinase using a radioactive-phosphate incorporation assay. Assays were carried out in a mixtu...

US Patent US9663519 (2017)


BindingDB Entry DOI: 10.7270/Q2WW7KT3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))		BDBM329693
PNG
(US9663519, Compound I-33)
Show SMILES Cc1nsc(NC(=O)c2c(N)nn3cc4CN(CCc4nc23)C2COC2)c1C1CC1
Show InChI InChI=1S/C20H23N7O2S/c1-10-15(11-2-3-11)20(30-25-10)23-19(28)16-17(21)24-27-7-12-6-26(13-8-29-9-13)5-4-14(12)22-18(16)27/h7,11,13H,2-6,8-9H2,1H3,(H2,21,24)(H,23,28)
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Vertex Pharmaceuticals Incorporated

US Patent


Assay Description
Compounds were screened for their ability to inhibit ATR kinase using a radioactive-phosphate incorporation assay. Assays were carried out in a mixtu...

US Patent US9663519 (2017)


BindingDB Entry DOI: 10.7270/Q2WW7KT3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))		BDBM329663
PNG
(US9663519, Compound I-3)
Show SMILES CC(C)Oc1ccncc1NC(=O)c1c(N)nn2cc3CNCCc3nc12
Show InChI InChI=1S/C18H21N7O2/c1-10(2)27-14-4-6-21-8-13(14)23-18(26)15-16(19)24-25-9-11-7-20-5-3-12(11)22-17(15)25/h4,6,8-10,20H,3,5,7H2,1-2H3,(H2,19,24)(H,23,26)
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Vertex Pharmaceuticals Incorporated

US Patent


Assay Description
Compounds were screened for their ability to inhibit ATR kinase using a radioactive-phosphate incorporation assay. Assays were carried out in a mixtu...

US Patent US9663519 (2017)


BindingDB Entry DOI: 10.7270/Q2WW7KT3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ATR


(Homo sapiens (Human))		BDBM329686
PNG
(US9663519, Compound I-26)
Show SMILES Nc1nn2cc3CN(CCc3nc2c1C(=O)Nc1cncnc1C1CC1)C1COC1
Show InChI InChI=1S/C20H22N8O2/c21-18-16(20(29)25-15-5-22-10-23-17(15)11-1-2-11)19-24-14-3-4-27(13-8-30-9-13)6-12(14)7-28(19)26-18/h5,7,10-11,13H,1-4,6,8-9H2,(H2,21,26)(H,25,29)
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 3.00E+3n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Incorporated

US Patent


Assay Description
Compounds were screened for their ability to inhibit ATR kinase using a radioactive-phosphate incorporation assay. Assays were carried out in a mixtu...

US Patent US9663519 (2017)


BindingDB Entry DOI: 10.7270/Q2WW7KT3
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%