Found 446 hits with Last Name = 'guichard' and Initial = 's' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM50468005
(CHEMBL4288033)Show SMILES C[C@@H]1COCCN1c1cc(nc(n1)-n1c(N)nc2ccccc12)C1(CC1)S(C)(=O)=O |r| Show InChI InChI=1S/C20H24N6O3S/c1-13-12-29-10-9-25(13)17-11-16(20(7-8-20)30(2,27)28)23-19(24-17)26-15-6-4-3-5-14(15)22-18(26)21/h3-6,11,13H,7-10,12H2,1-2H3,(H2,21,22)/t13-/m1/s1 | PDB
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AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of ATR in human HeLa cell nuclear extract using GST-fused p53N66 as substrate preincubated for 10 mins followed by ATP addition and measur... |
J Med Chem 61: 9889-9907 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01187
BindingDB Entry DOI: 10.7270/Q2S46VPQ |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1B
(Homo sapiens (Human)) | BDBM50081185
(CHEMBL3421963)Show SMILES COc1cc(ccc1Nc1cc(ncn1)-c1c[nH]c2cnccc12)N1CCN(C)CC1 Show InChI InChI=1S/C23H25N7O/c1-29-7-9-30(10-8-29)16-3-4-19(22(11-16)31-2)28-23-12-20(26-15-27-23)18-13-25-21-14-24-6-5-17(18)21/h3-6,11-15,25H,7-10H2,1-2H3,(H,26,27,28) | PDB
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| CHEMBL
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| Article
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| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant Dyrk1B (unknown origin) using FITC-Asp-His-Thr-Gly-Phe-Leu-Thr-Glu-Tyr-Val-Ala-Thr-Arg-NH2 as substrate after 60 mins |
J Med Chem 58: 2834-44 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00098
BindingDB Entry DOI: 10.7270/Q23B61VW |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM50468003
(CHEMBL4281240)Show SMILES C[C@@H]1COCCN1c1cc(nc(n1)-c1cncc2[nH]ccc12)C1(CC1)S(C)(=O)=O |r| Show InChI InChI=1S/C20H23N5O3S/c1-13-12-28-8-7-25(13)18-9-17(20(4-5-20)29(2,26)27)23-19(24-18)15-10-21-11-16-14(15)3-6-22-16/h3,6,9-11,13,22H,4-5,7-8,12H2,1-2H3/t13-/m1/s1 | PDB
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| Article
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AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of ATR in human HeLa cell nuclear extract using GST-fused p53N66 as substrate preincubated for 10 mins followed by ATP addition and measur... |
J Med Chem 61: 9889-9907 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01187
BindingDB Entry DOI: 10.7270/Q2S46VPQ |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM50468002
(CHEMBL4291436)Show SMILES CNc1nc2ccccc2n1-c1nc(cc(n1)C1(CC1)S(C)(=O)=O)N1CCOC[C@H]1C |r| Show InChI InChI=1S/C21H26N6O3S/c1-14-13-30-11-10-26(14)18-12-17(21(8-9-21)31(3,28)29)24-20(25-18)27-16-7-5-4-6-15(16)23-19(27)22-2/h4-7,12,14H,8-11,13H2,1-3H3,(H,22,23)/t14-/m1/s1 | PDB
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AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of ATR in human HeLa cell nuclear extract using GST-fused p53N66 as substrate preincubated for 10 mins followed by ATP addition and measur... |
J Med Chem 61: 9889-9907 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01187
BindingDB Entry DOI: 10.7270/Q2S46VPQ |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM50468009
(CHEMBL4286105)Show SMILES C[C@@H]1COCCN1c1cc(nc(n1)-n1c(N)nc2cc(F)ccc12)C1(CC1)S(C)(=O)=O |r| Show InChI InChI=1S/C20H23FN6O3S/c1-12-11-30-8-7-26(12)17-10-16(20(5-6-20)31(2,28)29)24-19(25-17)27-15-4-3-13(21)9-14(15)23-18(27)22/h3-4,9-10,12H,5-8,11H2,1-2H3,(H2,22,23)/t12-/m1/s1 | PDB
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AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of ATR in human HeLa cell nuclear extract using GST-fused p53N66 as substrate preincubated for 10 mins followed by ATP addition and measur... |
J Med Chem 61: 9889-9907 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01187
BindingDB Entry DOI: 10.7270/Q2S46VPQ |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1B
(Homo sapiens (Human)) | BDBM50081186
(CHEMBL3421962)Show SMILES CN1CCN(CC1)c1ccc(Nc2cc(ncn2)-c2c[nH]c3cnccc23)cc1 Show InChI InChI=1S/C22H23N7/c1-28-8-10-29(11-9-28)17-4-2-16(3-5-17)27-22-12-20(25-15-26-22)19-13-24-21-14-23-7-6-18(19)21/h2-7,12-15,24H,8-11H2,1H3,(H,25,26,27) | PDB
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AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant Dyrk1B (unknown origin) using FITC-Asp-His-Thr-Gly-Phe-Leu-Thr-Glu-Tyr-Val-Ala-Thr-Arg-NH2 as substrate after 60 mins |
J Med Chem 58: 2834-44 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00098
BindingDB Entry DOI: 10.7270/Q23B61VW |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1B
(Homo sapiens (Human)) | BDBM50081174
(CHEMBL3421968)Show SMILES COc1cc(ccc1Nc1nccc(n1)-c1cn(C)c2cnccc12)N1CCN(C)CC1 Show InChI InChI=1S/C24H27N7O/c1-29-10-12-31(13-11-29)17-4-5-21(23(14-17)32-3)28-24-26-9-7-20(27-24)19-16-30(2)22-15-25-8-6-18(19)22/h4-9,14-16H,10-13H2,1-3H3,(H,26,27,28) | PDB
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AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant Dyrk1B (unknown origin) using FITC-Asp-His-Thr-Gly-Phe-Leu-Thr-Glu-Tyr-Val-Ala-Thr-Arg-NH2 as substrate after 60 mins |
J Med Chem 58: 2834-44 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00098
BindingDB Entry DOI: 10.7270/Q23B61VW |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM50468017
(CHEMBL4291783)Show SMILES CS(=O)(=O)C1(CC1)c1cc(nc(n1)-n1c(N)nc2ccccc12)N1CCOCC1 Show InChI InChI=1S/C19H22N6O3S/c1-29(26,27)19(6-7-19)15-12-16(24-8-10-28-11-9-24)23-18(22-15)25-14-5-3-2-4-13(14)21-17(25)20/h2-5,12H,6-11H2,1H3,(H2,20,21) | PDB
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AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of ATR in human HeLa cell nuclear extract using GST-fused p53N66 as substrate preincubated for 10 mins followed by ATP addition and measur... |
J Med Chem 61: 9889-9907 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01187
BindingDB Entry DOI: 10.7270/Q2S46VPQ |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM50427322
(CHEMBL2325703)Show SMILES CC(C)(c1cc(nc(n1)-c1cccc2[nH]ccc12)N1CCOCC1)S(C)(=O)=O Show InChI InChI=1S/C20H24N4O3S/c1-20(2,28(3,25)26)17-13-18(24-9-11-27-12-10-24)23-19(22-17)15-5-4-6-16-14(15)7-8-21-16/h4-8,13,21H,9-12H2,1-3H3 | PDB
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AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of ATR-mediated CHK1 phosphorylation at serine 345 in human HT29 cells after 1 hr in presence of 4-nitroquinoline 1-oxide |
J Med Chem 56: 2125-38 (2013)
Article DOI: 10.1021/jm301859s
BindingDB Entry DOI: 10.7270/Q2VH5Q5C |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1B
(Homo sapiens (Human)) | BDBM50081188
(CHEMBL3421981)Show InChI InChI=1S/C14H10N4/c1-4-15-8-13-10(1)12(7-18-13)9-2-5-16-14-11(9)3-6-17-14/h1-8,18H,(H,16,17) | PDB
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AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant Dyrk1B (unknown origin) using FITC-Asp-His-Thr-Gly-Phe-Leu-Thr-Glu-Tyr-Val-Ala-Thr-Arg-NH2 as substrate after 60 mins |
J Med Chem 58: 2834-44 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00098
BindingDB Entry DOI: 10.7270/Q23B61VW |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1B
(Homo sapiens (Human)) | BDBM50081180
(CHEMBL3421969)Show SMILES COc1cc(ccc1Nc1nccc(n1)-c1c[nH]c2cnc(C)cc12)N1CCN(C)CC1 Show InChI InChI=1S/C24H27N7O/c1-16-12-18-19(14-27-22(18)15-26-16)20-6-7-25-24(28-20)29-21-5-4-17(13-23(21)32-3)31-10-8-30(2)9-11-31/h4-7,12-15,27H,8-11H2,1-3H3,(H,25,28,29) | PDB
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AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant Dyrk1B (unknown origin) using FITC-Asp-His-Thr-Gly-Phe-Leu-Thr-Glu-Tyr-Val-Ala-Thr-Arg-NH2 as substrate after 60 mins |
J Med Chem 58: 2834-44 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00098
BindingDB Entry DOI: 10.7270/Q23B61VW |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM50427320
(CHEMBL2325705)Show SMILES CS(=O)(=O)C1(CCOCC1)c1cc(nc(n1)-c1cccc2[nH]ccc12)N1CCOCC1 Show InChI InChI=1S/C22H26N4O4S/c1-31(27,28)22(6-11-29-12-7-22)19-15-20(26-9-13-30-14-10-26)25-21(24-19)17-3-2-4-18-16(17)5-8-23-18/h2-5,8,15,23H,6-7,9-14H2,1H3 | PDB
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AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of ATR-mediated CHK1 phosphorylation at serine 345 in human HT29 cells after 1 hr in presence of 4-nitroquinoline 1-oxide |
J Med Chem 56: 2125-38 (2013)
Article DOI: 10.1021/jm301859s
BindingDB Entry DOI: 10.7270/Q2VH5Q5C |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1B
(Homo sapiens (Human)) | BDBM50081181
(CHEMBL3421967)Show SMILES COc1cc(ccc1Nc1nccc(n1)-c1c[nH]c2cnccc12)N1CCN(C)CC1 Show InChI InChI=1S/C23H25N7O/c1-29-9-11-30(12-10-29)16-3-4-20(22(13-16)31-2)28-23-25-8-6-19(27-23)18-14-26-21-15-24-7-5-17(18)21/h3-8,13-15,26H,9-12H2,1-2H3,(H,25,27,28) | PDB
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| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant Dyrk1B (unknown origin) using FITC-Asp-His-Thr-Gly-Phe-Leu-Thr-Glu-Tyr-Val-Ala-Thr-Arg-NH2 as substrate after 60 mins |
J Med Chem 58: 2834-44 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00098
BindingDB Entry DOI: 10.7270/Q23B61VW |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM60432
(BDBM50468001 | US11236089, Compound AZD-6738 | US8...)Show SMILES C[C@@H]1COCCN1c1cc(nc(n1)-c1ccnc2[nH]ccc12)C1(CC1)[S@](C)(=N)=O |r| Show InChI InChI=1S/C20H24N6O2S/c1-13-12-28-10-9-26(13)17-11-16(20(5-6-20)29(2,21)27)24-19(25-17)15-4-8-23-18-14(15)3-7-22-18/h3-4,7-8,11,13,21H,5-6,9-10,12H2,1-2H3,(H,22,23)/t13-,29-/m0/s1 | PDB
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AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of ATR in human HeLa cell nuclear extract using GST-fused p53N66 as substrate preincubated for 10 mins followed by ATP addition and measur... |
J Med Chem 61: 9889-9907 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01187
BindingDB Entry DOI: 10.7270/Q2S46VPQ |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM50427326
(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 | PDB
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AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of ATR in human HeLa cell nuclear extract using GST-fused p53N66 as substrate preincubated for 10 mins followed by ATP addition and measur... |
J Med Chem 61: 9889-9907 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01187
BindingDB Entry DOI: 10.7270/Q2S46VPQ |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM50427314
(CHEMBL2325711)Show SMILES O=S(=O)(c1ccccc1)C1(CC1)c1cc(nc(n1)-c1cccc2[nH]ccc12)N1CCOCC1 Show InChI InChI=1S/C25H24N4O3S/c30-33(31,18-5-2-1-3-6-18)25(10-11-25)22-17-23(29-13-15-32-16-14-29)28-24(27-22)20-7-4-8-21-19(20)9-12-26-21/h1-9,12,17,26H,10-11,13-16H2 | PDB
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AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of ATR-mediated CHK1 phosphorylation at serine 345 in human HT29 cells after 1 hr in presence of 4-nitroquinoline 1-oxide |
J Med Chem 56: 2125-38 (2013)
Article DOI: 10.1021/jm301859s
BindingDB Entry DOI: 10.7270/Q2VH5Q5C |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM50468004
(CHEMBL4286472)Show SMILES C[C@@H]1COCCN1c1cc(nc(n1)-c1ccnc2[nH]ccc12)C1(CC1)S(C)(=O)=O |r| Show InChI InChI=1S/C20H23N5O3S/c1-13-12-28-10-9-25(13)17-11-16(20(5-6-20)29(2,26)27)23-19(24-17)15-4-8-22-18-14(15)3-7-21-18/h3-4,7-8,11,13H,5-6,9-10,12H2,1-2H3,(H,21,22)/t13-/m1/s1 | PDB
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AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of ATR in human HeLa cell nuclear extract using GST-fused p53N66 as substrate preincubated for 10 mins followed by ATP addition and measur... |
J Med Chem 61: 9889-9907 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01187
BindingDB Entry DOI: 10.7270/Q2S46VPQ |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM50468021
(CHEMBL4278556)Show SMILES CS(=O)(=O)C1(CC1)c1cc(nc(n1)-c1cncc2[nH]ccc12)N1CCOCC1 Show InChI InChI=1S/C19H21N5O3S/c1-28(25,26)19(3-4-19)16-10-17(24-6-8-27-9-7-24)23-18(22-16)14-11-20-12-15-13(14)2-5-21-15/h2,5,10-12,21H,3-4,6-9H2,1H3 | PDB
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AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of ATR in human HeLa cell nuclear extract using GST-fused p53N66 as substrate preincubated for 10 mins followed by ATP addition and measur... |
J Med Chem 61: 9889-9907 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01187
BindingDB Entry DOI: 10.7270/Q2S46VPQ |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1B
(Homo sapiens (Human)) | BDBM50081179
(CHEMBL3421970)Show SMILES COc1cc(ccc1Nc1nccc(n1)-c1c[nH]c2c(C)nccc12)N1CCN(C)CC1 Show InChI InChI=1S/C24H27N7O/c1-16-23-18(6-8-25-16)19(15-27-23)20-7-9-26-24(28-20)29-21-5-4-17(14-22(21)32-3)31-12-10-30(2)11-13-31/h4-9,14-15,27H,10-13H2,1-3H3,(H,26,28,29) | PDB
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AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant Dyrk1B (unknown origin) using FITC-Asp-His-Thr-Gly-Phe-Leu-Thr-Glu-Tyr-Val-Ala-Thr-Arg-NH2 as substrate after 60 mins |
J Med Chem 58: 2834-44 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00098
BindingDB Entry DOI: 10.7270/Q23B61VW |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM50427326
(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 | PDB
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AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of ATR in human HeLa cell nuclear extracts using glutathione S-transferase-p53N66 and ATP as substrate incubated for 10 mins prior to ATP ... |
J Med Chem 56: 2125-38 (2013)
Article DOI: 10.1021/jm301859s
BindingDB Entry DOI: 10.7270/Q2VH5Q5C |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM103467
(US8552004, 2.03)Show SMILES CNc1nc2ccccc2n1-c1nc(cc(n1)C1(CC1)[S@](C)(=N)=O)N1CCOC[C@H]1C |r| Show InChI InChI=1S/C21H27N7O2S/c1-14-13-30-11-10-27(14)18-12-17(21(8-9-21)31(3,22)29)25-20(26-18)28-16-7-5-4-6-15(16)24-19(28)23-2/h4-7,12,14H,3,8-11,13H2,1-2H3,(H2,22,29)(H,23,24)/t14-,31?/m1/s1 | PDB
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AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of ATR in human HeLa cell nuclear extract using GST-fused p53N66 as substrate preincubated for 10 mins followed by ATP addition and measur... |
J Med Chem 61: 9889-9907 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01187
BindingDB Entry DOI: 10.7270/Q2S46VPQ |
More data for this
Ligand-Target Pair | |
ATPase family AAA domain-containing protein 2
(Homo sapiens (Human)) | BDBM50584925
(CHEMBL5079885)Show SMILES [H][C@]12Cc3ccccc3[C@]([H])([C@H](NC1=O)C(C)C)N2C(=O)c1cc(NC2CCN(CC(C)(C)F)CC2)c2nnc(C)n2n1 |r,THB:19:18:3.8.2:13.12.11| | PDB
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TBA
| Assay Description
Inhibition of GST-ATAD2 BD (981 to 1108 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) and biotinylated tetra-acetylated histone... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01871
BindingDB Entry DOI: 10.7270/Q2280CH8 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM50427327
(CHEMBL2325699)Show SMILES CS(=O)(=O)C1(CC1)c1cc(nc(n1)-c1cccc2[nH]ccc12)N1CC2CCC(C1)O2 |TLB:9:22:29:25.26| Show InChI InChI=1S/C22H24N4O3S/c1-30(27,28)22(8-9-22)19-11-20(26-12-14-5-6-15(13-26)29-14)25-21(24-19)17-3-2-4-18-16(17)7-10-23-18/h2-4,7,10-11,14-15,23H,5-6,8-9,12-13H2,1H3 | PDB
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AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of ATR-mediated CHK1 phosphorylation at serine 345 in human HT29 cells after 1 hr in presence of 4-nitroquinoline 1-oxide |
J Med Chem 56: 2125-38 (2013)
Article DOI: 10.1021/jm301859s
BindingDB Entry DOI: 10.7270/Q2VH5Q5C |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM50427327
(CHEMBL2325699)Show SMILES CS(=O)(=O)C1(CC1)c1cc(nc(n1)-c1cccc2[nH]ccc12)N1CC2CCC(C1)O2 |TLB:9:22:29:25.26| Show InChI InChI=1S/C22H24N4O3S/c1-30(27,28)22(8-9-22)19-11-20(26-12-14-5-6-15(13-26)29-14)25-21(24-19)17-3-2-4-18-16(17)7-10-23-18/h2-4,7,10-11,14-15,23H,5-6,8-9,12-13H2,1H3 | PDB
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AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of ATR in human HeLa cell nuclear extract using GST-fused p53N66 as substrate preincubated for 10 mins followed by ATP addition and measur... |
J Med Chem 61: 9889-9907 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01187
BindingDB Entry DOI: 10.7270/Q2S46VPQ |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1B
(Homo sapiens (Human)) | BDBM50081189
(CHEMBL3421980)Show InChI InChI=1S/C19H16N4/c1-14-21-10-8-18(22-14)17-13-23(12-15-5-3-2-4-6-15)19-11-20-9-7-16(17)19/h2-11,13H,12H2,1H3 | PDB
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AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant Dyrk1B (unknown origin) using FITC-Asp-His-Thr-Gly-Phe-Leu-Thr-Glu-Tyr-Val-Ala-Thr-Arg-NH2 as substrate after 60 mins |
J Med Chem 58: 2834-44 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00098
BindingDB Entry DOI: 10.7270/Q23B61VW |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1B
(Homo sapiens (Human)) | BDBM50081191
(CHEMBL3421978)Show InChI InChI=1S/C19H14N4/c1-2-4-14(5-3-1)6-7-19-21-11-9-17(23-19)16-12-22-18-13-20-10-8-15(16)18/h1-13,22H/b7-6+ | PDB
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AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant Dyrk1B (unknown origin) using FITC-Asp-His-Thr-Gly-Phe-Leu-Thr-Glu-Tyr-Val-Ala-Thr-Arg-NH2 as substrate after 60 mins |
J Med Chem 58: 2834-44 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00098
BindingDB Entry DOI: 10.7270/Q23B61VW |
More data for this
Ligand-Target Pair | |
ATPase family AAA domain-containing protein 2
(Homo sapiens (Human)) | BDBM50584925
(CHEMBL5079885)Show SMILES [H][C@]12Cc3ccccc3[C@]([H])([C@H](NC1=O)C(C)C)N2C(=O)c1cc(NC2CCN(CC(C)(C)F)CC2)c2nnc(C)n2n1 |r,THB:19:18:3.8.2:13.12.11| | PDB
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TBA
| Assay Description
Inhibition of GST-ATAD2 BD (951 to 1132 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) and biotinylated tetra-acetylated histone... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01871
BindingDB Entry DOI: 10.7270/Q2280CH8 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM50427305
(CHEMBL2325720)Show SMILES Cc1cc(-c2nc(cc(n2)C2(CC2)S(C)(=O)=O)N2CCOCC2)c2cc[nH]c2c1 Show InChI InChI=1S/C21H24N4O3S/c1-14-11-16(15-3-6-22-17(15)12-14)20-23-18(21(4-5-21)29(2,26)27)13-19(24-20)25-7-9-28-10-8-25/h3,6,11-13,22H,4-5,7-10H2,1-2H3 | PDB
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AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of ATR in human HeLa cell nuclear extracts using glutathione S-transferase-p53N66 and ATP as substrate incubated for 10 mins prior to ATP ... |
J Med Chem 56: 2125-38 (2013)
Article DOI: 10.1021/jm301859s
BindingDB Entry DOI: 10.7270/Q2VH5Q5C |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM50468002
(CHEMBL4291436)Show SMILES CNc1nc2ccccc2n1-c1nc(cc(n1)C1(CC1)S(C)(=O)=O)N1CCOC[C@H]1C |r| Show InChI InChI=1S/C21H26N6O3S/c1-14-13-30-11-10-26(14)18-12-17(21(8-9-21)31(3,28)29)24-20(25-18)27-16-7-5-4-6-15(16)23-19(27)22-2/h4-7,12,14H,8-11,13H2,1-3H3,(H,22,23)/t14-/m1/s1 | PDB
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AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of ATR in human HT29 cells after 60 mins by Hoechst 33258 staining-based assay |
J Med Chem 61: 9889-9907 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01187
BindingDB Entry DOI: 10.7270/Q2S46VPQ |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM50427321
(CHEMBL2325704)Show SMILES CS(=O)(=O)C1(CC1)c1cc(nc(n1)-c1cccc2[nH]ccc12)N1CCOCC1 Show InChI InChI=1S/C20H22N4O3S/c1-28(25,26)20(6-7-20)17-13-18(24-9-11-27-12-10-24)23-19(22-17)15-3-2-4-16-14(15)5-8-21-16/h2-5,8,13,21H,6-7,9-12H2,1H3 | PDB
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AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of ATR in human HeLa cell nuclear extract using GST-fused p53N66 as substrate preincubated for 10 mins followed by ATP addition and measur... |
J Med Chem 61: 9889-9907 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01187
BindingDB Entry DOI: 10.7270/Q2S46VPQ |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM50468006
(CHEMBL4294006)Show SMILES C[C@@H]1COCCN1c1cc(nc(n1)-n1c(N)nc2ccc(F)cc12)C1(CC1)S(C)(=O)=O |r| Show InChI InChI=1S/C20H23FN6O3S/c1-12-11-30-8-7-26(12)17-10-16(20(5-6-20)31(2,28)29)24-19(25-17)27-15-9-13(21)3-4-14(15)23-18(27)22/h3-4,9-10,12H,5-8,11H2,1-2H3,(H2,22,23)/t12-/m1/s1 | PDB
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AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of ATR in human HeLa cell nuclear extract using GST-fused p53N66 as substrate preincubated for 10 mins followed by ATP addition and measur... |
J Med Chem 61: 9889-9907 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01187
BindingDB Entry DOI: 10.7270/Q2S46VPQ |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM50427321
(CHEMBL2325704)Show SMILES CS(=O)(=O)C1(CC1)c1cc(nc(n1)-c1cccc2[nH]ccc12)N1CCOCC1 Show InChI InChI=1S/C20H22N4O3S/c1-28(25,26)20(6-7-20)17-13-18(24-9-11-27-12-10-24)23-19(22-17)15-3-2-4-16-14(15)5-8-21-16/h2-5,8,13,21H,6-7,9-12H2,1H3 | PDB
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AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of ATR-mediated CHK1 phosphorylation at serine 345 in human HT29 cells after 1 hr in presence of 4-nitroquinoline 1-oxide |
J Med Chem 56: 2125-38 (2013)
Article DOI: 10.1021/jm301859s
BindingDB Entry DOI: 10.7270/Q2VH5Q5C |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM50427319
(CHEMBL2325706)Show SMILES CS(=O)(=O)C1(CCNCC1)c1cc(nc(n1)-c1cccc2[nH]ccc12)N1CCOCC1 Show InChI InChI=1S/C22H27N5O3S/c1-31(28,29)22(6-9-23-10-7-22)19-15-20(27-11-13-30-14-12-27)26-21(25-19)17-3-2-4-18-16(17)5-8-24-18/h2-5,8,15,23-24H,6-7,9-14H2,1H3 | PDB
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AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of ATR-mediated CHK1 phosphorylation at serine 345 in human HT29 cells after 1 hr in presence of 4-nitroquinoline 1-oxide |
J Med Chem 56: 2125-38 (2013)
Article DOI: 10.1021/jm301859s
BindingDB Entry DOI: 10.7270/Q2VH5Q5C |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM103467
(US8552004, 2.03)Show SMILES CNc1nc2ccccc2n1-c1nc(cc(n1)C1(CC1)[S@](C)(=N)=O)N1CCOC[C@H]1C |r| Show InChI InChI=1S/C21H27N7O2S/c1-14-13-30-11-10-27(14)18-12-17(21(8-9-21)31(3,22)29)25-20(26-18)28-16-7-5-4-6-15(16)24-19(28)23-2/h4-7,12,14H,3,8-11,13H2,1-2H3,(H2,22,29)(H,23,24)/t14-,31?/m1/s1 | PDB
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AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of ATR in human HT29 cells after 60 mins by Hoechst 33258 staining-based assay |
J Med Chem 61: 9889-9907 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01187
BindingDB Entry DOI: 10.7270/Q2S46VPQ |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1B
(Homo sapiens (Human)) | BDBM50081182
(CHEMBL3421966)Show SMILES COc1cc(ccc1Nc1nccc(n1)-c1c[nH]c2cnccc12)N1CCN(CC1)C(C)=O Show InChI InChI=1S/C24H25N7O2/c1-16(32)30-9-11-31(12-10-30)17-3-4-21(23(13-17)33-2)29-24-26-8-6-20(28-24)19-14-27-22-15-25-7-5-18(19)22/h3-8,13-15,27H,9-12H2,1-2H3,(H,26,28,29) | PDB
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AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant Dyrk1B (unknown origin) using FITC-Asp-His-Thr-Gly-Phe-Leu-Thr-Glu-Tyr-Val-Ala-Thr-Arg-NH2 as substrate after 60 mins |
J Med Chem 58: 2834-44 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00098
BindingDB Entry DOI: 10.7270/Q23B61VW |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1B
(Homo sapiens (Human)) | BDBM50081178
(CHEMBL3421971)Show SMILES COc1cc(ccc1Nc1nccc(n1)-c1cn(C)c2c(C)nccc12)N1CCN(C)CC1 Show InChI InChI=1S/C25H29N7O/c1-17-24-19(7-9-26-17)20(16-31(24)3)21-8-10-27-25(28-21)29-22-6-5-18(15-23(22)33-4)32-13-11-30(2)12-14-32/h5-10,15-16H,11-14H2,1-4H3,(H,27,28,29) | PDB
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AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant Dyrk1B (unknown origin) using FITC-Asp-His-Thr-Gly-Phe-Leu-Thr-Glu-Tyr-Val-Ala-Thr-Arg-NH2 as substrate after 60 mins |
J Med Chem 58: 2834-44 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00098
BindingDB Entry DOI: 10.7270/Q23B61VW |
More data for this
Ligand-Target Pair | |
CREB-binding protein
(Homo sapiens (Human)) | BDBM645365
(Synthesis of (1R,3R)-3-[(7S)-2-[(R)-(5-fluoro-2-me...)Show SMILES COC(=O)N1[C@@H](C)CCc2c1ccc1n([C@@H]3CCC[C@H](C3)C(O)=O)c(nc21)[C@H](O)c1cc(F)ccc1OC |r| | PDB
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| | n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
CREB-binding protein
(Homo sapiens (Human)) | BDBM547567
(US11292791, Example 840 | US20240016795, Compound ...)Show SMILES COC(=O)[C@@H]1CCC[C@H](C1)n1c(Cc2ccccc2)nc2c3CC[C@H](C)N(C(=O)OC)c3ccc12 |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
CREB-binding protein
(Homo sapiens (Human)) | BDBM645375
(Synthesis of (1R,3R)-3-[(7S)-2-[(R)-hydroxy(phenyl...)Show SMILES COC(=O)[C@@H]1CCC[C@H](C1)Nc1ccc2N([C@@H](C)CCc2c1NC(=O)[C@H](O)c1ccccc1)C(=O)OC |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Histone acetyltransferase p300
(Homo sapiens (Human)) | BDBM547567
(US11292791, Example 840 | US20240016795, Compound ...)Show SMILES COC(=O)[C@@H]1CCC[C@H](C1)n1c(Cc2ccccc2)nc2c3CC[C@H](C)N(C(=O)OC)c3ccc12 |r| | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | <10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM50468008
(CHEMBL4280793)Show SMILES C[C@@H]1COCCN1c1cc(nc(n1)-n1c(N)nc2c(F)cccc12)C1(CC1)S(C)(=O)=O |r| Show InChI InChI=1S/C20H23FN6O3S/c1-12-11-30-9-8-26(12)16-10-15(20(6-7-20)31(2,28)29)23-19(24-16)27-14-5-3-4-13(21)17(14)25-18(27)22/h3-5,10,12H,6-9,11H2,1-2H3,(H2,22,25)/t12-/m1/s1 | PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of ATR in human HeLa cell nuclear extract using GST-fused p53N66 as substrate preincubated for 10 mins followed by ATP addition and measur... |
J Med Chem 61: 9889-9907 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01187
BindingDB Entry DOI: 10.7270/Q2S46VPQ |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM50468015
(CHEMBL4284359)Show SMILES C[C@@H]1COCCN1c1cc(nc(n1)-c1ccnc2[nH]ccc12)C1(CC1)[S@+](C)[O-] |r| Show InChI InChI=1S/C20H23N5O2S/c1-13-12-27-10-9-25(13)17-11-16(20(5-6-20)28(2)26)23-19(24-17)15-4-8-22-18-14(15)3-7-21-18/h3-4,7-8,11,13H,5-6,9-10,12H2,1-2H3,(H,21,22)/t13-,28+/m1/s1 | PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of ATR in human HeLa cell nuclear extract using GST-fused p53N66 as substrate preincubated for 10 mins followed by ATP addition and measur... |
J Med Chem 61: 9889-9907 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01187
BindingDB Entry DOI: 10.7270/Q2S46VPQ |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1B
(Homo sapiens (Human)) | BDBM50081193
(CHEMBL3421976)Show SMILES Cn1cc(-c2ccnc(n2)-c2ccc(cc2)S(C)(=O)=O)c2ccncc12 Show InChI InChI=1S/C19H16N4O2S/c1-23-12-16(15-7-9-20-11-18(15)23)17-8-10-21-19(22-17)13-3-5-14(6-4-13)26(2,24)25/h3-12H,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant Dyrk1B (unknown origin) using FITC-Asp-His-Thr-Gly-Phe-Leu-Thr-Glu-Tyr-Val-Ala-Thr-Arg-NH2 as substrate after 60 mins |
J Med Chem 58: 2834-44 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00098
BindingDB Entry DOI: 10.7270/Q23B61VW |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM50468003
(CHEMBL4281240)Show SMILES C[C@@H]1COCCN1c1cc(nc(n1)-c1cncc2[nH]ccc12)C1(CC1)S(C)(=O)=O |r| Show InChI InChI=1S/C20H23N5O3S/c1-13-12-28-8-7-25(13)18-9-17(20(4-5-20)29(2,26)27)23-19(24-18)15-10-21-11-16-14(15)3-6-22-16/h3,6,9-11,13,22H,4-5,7-8,12H2,1-2H3/t13-/m1/s1 | PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of ATR in human HT29 cells after 60 mins by Hoechst 33258 staining-based assay |
J Med Chem 61: 9889-9907 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01187
BindingDB Entry DOI: 10.7270/Q2S46VPQ |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM50427317
(CHEMBL2325708)Show SMILES CC(C)S(=O)(=O)C1(CC1)c1cc(nc(n1)-c1cccc2[nH]ccc12)N1CCOCC1 Show InChI InChI=1S/C22H26N4O3S/c1-15(2)30(27,28)22(7-8-22)19-14-20(26-10-12-29-13-11-26)25-21(24-19)17-4-3-5-18-16(17)6-9-23-18/h3-6,9,14-15,23H,7-8,10-13H2,1-2H3 | PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of ATR-mediated CHK1 phosphorylation at serine 345 in human HT29 cells after 1 hr in presence of 4-nitroquinoline 1-oxide |
J Med Chem 56: 2125-38 (2013)
Article DOI: 10.1021/jm301859s
BindingDB Entry DOI: 10.7270/Q2VH5Q5C |
More data for this
Ligand-Target Pair | |
ATPase family AAA domain-containing protein 2
(Homo sapiens (Human)) | BDBM50584944
(CHEMBL5087319)Show SMILES [H][C@]12Cc3ccccc3[C@]([H])([C@H](NC1=O)C(C)C)N2C(=O)c1cc(NCCCN2CCCC2)c2nnc(C)n2n1 |r,THB:19:18:11.12.13:3.8.2| | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of GST-ATAD2 BD (951 to 1132 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) and biotinylated tetra-acetylated histone... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01871
BindingDB Entry DOI: 10.7270/Q2280CH8 |
More data for this
Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1B
(Homo sapiens (Human)) | BDBM50081192
(CHEMBL3421977)Show SMILES Cc1nccc2c(c[nH]c12)-c1ccnc(n1)-c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C19H16N4O2S/c1-12-18-15(7-9-20-12)16(11-22-18)17-8-10-21-19(23-17)13-3-5-14(6-4-13)26(2,24)25/h3-11,22H,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of recombinant Dyrk1B (unknown origin) using FITC-Asp-His-Thr-Gly-Phe-Leu-Thr-Glu-Tyr-Val-Ala-Thr-Arg-NH2 as substrate after 60 mins |
J Med Chem 58: 2834-44 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00098
BindingDB Entry DOI: 10.7270/Q23B61VW |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM50468013
(CHEMBL4277395)Show SMILES C[C@@H]1COCCN1c1cc(nc(n1)-n1c(NC(C)=O)nc2ccccc12)C1(CC1)S(C)(=O)=O |r| Show InChI InChI=1S/C22H26N6O4S/c1-14-13-32-11-10-27(14)19-12-18(22(8-9-22)33(3,30)31)25-21(26-19)28-17-7-5-4-6-16(17)24-20(28)23-15(2)29/h4-7,12,14H,8-11,13H2,1-3H3,(H,23,24,29)/t14-/m1/s1 | PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of ATR in human HeLa cell nuclear extract using GST-fused p53N66 as substrate preincubated for 10 mins followed by ATP addition and measur... |
J Med Chem 61: 9889-9907 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01187
BindingDB Entry DOI: 10.7270/Q2S46VPQ |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM103471
(BDBM50456371 | US8552004, 2.11)Show SMILES C[C@@H]1COCCN1c1cc(nc(n1)-c1cncc2[nH]ccc12)C1(CC1)S(C)(=N)=O |r| Show InChI InChI=1S/C20H24N6O2S/c1-13-12-28-8-7-26(13)18-9-17(20(4-5-20)29(2,21)27)24-19(25-18)15-10-22-11-16-14(15)3-6-23-16/h3,6,9-11,13,23H,2,4-5,7-8,12H2,1H3,(H2,21,27)/t13-,29?/m1/s1 | PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of ATR in human HT29 cells after 60 mins by Hoechst 33258 staining-based assay |
J Med Chem 61: 9889-9907 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01187
BindingDB Entry DOI: 10.7270/Q2S46VPQ |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM50427297
(CHEMBL2325439)Show SMILES CS(=O)(=O)C1(CC1)c1cc(nc(n1)-c1cc(F)cc2[nH]ccc12)N1CCOCC1 Show InChI InChI=1S/C20H21FN4O3S/c1-29(26,27)20(3-4-20)17-12-18(25-6-8-28-9-7-25)24-19(23-17)15-10-13(21)11-16-14(15)2-5-22-16/h2,5,10-12,22H,3-4,6-9H2,1H3 | PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of ATR-mediated CHK1 phosphorylation at serine 345 in human HT29 cells after 1 hr in presence of 4-nitroquinoline 1-oxide |
J Med Chem 56: 2125-38 (2013)
Article DOI: 10.1021/jm301859s
BindingDB Entry DOI: 10.7270/Q2VH5Q5C |
More data for this
Ligand-Target Pair | |
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