Found 124 hits Enz. Inhib. hit(s) with all data for entry = 50003191 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
Reactome pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| 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 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
Reactome pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2 | 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)) | 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 | 2 | 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)) | 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
Reactome pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2 | 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)) | 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
Reactome pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3 | 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)) | 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
Reactome pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 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 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
Reactome pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5 | 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)) | 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
Reactome pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5 | 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)) | 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
Reactome pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5 | 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)) | 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
Reactome pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6 | 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)) | 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
Reactome pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7 | 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)) | 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
Reactome pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8 | 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)) | 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
Reactome pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8 | 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)) | 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
Reactome pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8 | 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)) | 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
Reactome pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9 | 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)) | 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 | |
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)) | 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)) | 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)) | 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 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)) | 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
Reactome pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| 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 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)) | BDBM50468011
(CHEMBL4294647)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 | 16 | 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)) | BDBM50468007
(CHEMBL4284450)Show SMILES C[C@@H]1COCCN1c1cc(nc(n1)-n1c(N)nc2c(Cl)cccc12)C1(CC1)S(C)(=O)=O |r| Show InChI InChI=1S/C20H23ClN6O3S/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 | 17 | 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)) | 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 | 17 | 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)) | BDBM50468018
(CHEMBL4287961)Show SMILES CS(=O)(=O)C1(CC1)c1cc(nc(n1)-c1cccc2[nH]ccc12)C1=CCOCC1 |t:26| Show InChI InChI=1S/C21H21N3O3S/c1-28(25,26)21(8-9-21)19-13-18(14-6-11-27-12-7-14)23-20(24-19)16-3-2-4-17-15(16)5-10-22-17/h2-6,10,13,22H,7-9,11-12H2,1H3 | PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 18 | 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)) | BDBM50468020
(CHEMBL4287852)Show SMILES C[C@@H]1COCCN1c1cc(nc(n1)-n1c(N)nc2cc(Cl)ccc12)C1(CC1)S(C)(=O)=O |r| Show InChI InChI=1S/C20H23ClN6O3S/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
Reactome pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 21 | 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)) | BDBM50468024
(CHEMBL4281973)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/h4-7,12,14,22H,8-11,13H2,1-3H3,(H,23,24)/t14-,31+/m1/s1 | PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 23 | 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 mTOR
(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
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of mTOR (unknown origin) |
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
Reactome pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 35 | 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)) | BDBM50468012
(CHEMBL4281158)Show SMILES CS(=O)(=O)C1(CC1)c1cc(nc(n1)-c1ccnc2[nH]ccc12)N1CCOCC1 Show InChI InChI=1S/C19H21N5O3S/c1-28(25,26)19(4-5-19)15-12-16(24-8-10-27-11-9-24)23-18(22-15)14-3-7-21-17-13(14)2-6-20-17/h2-3,6-7,12H,4-5,8-11H2,1H3,(H,20,21) | PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 37 | 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 mTOR
(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
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of mTOR (unknown origin) |
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)) | 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
Reactome pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 51 | 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 mTOR
(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
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 52 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of mTOR (unknown origin) |
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
Reactome pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 61 | 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)) | 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
Reactome pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 74 | 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)) | 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
Reactome pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 85 | 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)) | BDBM50468022
(CHEMBL4284647)Show SMILES CS(=O)(=O)C1(CC1)c1cc(nc(n1)-c1cncc2[nH]ccc12)N1CC2CCC(C1)O2 Show InChI InChI=1S/C21H23N5O3S/c1-30(27,28)21(5-6-21)18-8-19(26-11-13-2-3-14(12-26)29-13)25-20(24-18)16-9-22-10-17-15(16)4-7-23-17/h4,7-10,13-14,23H,2-3,5-6,11-12H2,1H3 | PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 86 | 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)) | BDBM50468010
(CHEMBL4277999)Show SMILES C[C@@H]1COCCN1c1cc(nc(n1)-n1c(N)nc2cccc(F)c12)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)24-19(25-16)27-17-13(21)4-3-5-14(17)23-18(27)22/h3-5,10,12H,6-9,11H2,1-2H3,(H2,22,23)/t12-/m1/s1 | PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 90 | 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 | 90 | 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)) | 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
Reactome pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 100 | 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)) | 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
Reactome pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 110 | 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)) | 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
Reactome pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 120 | 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)) | 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 | 130 | 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 | 130 | 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)) | BDBM50427299
(CHEMBL2325726)Show SMILES CNC(=O)c1cc(-c2nc(cc(n2)C2(CC2)S(C)(=O)=O)N2CCOCC2)c2cc[nH]c2c1 Show InChI InChI=1S/C22H25N5O4S/c1-23-21(28)14-11-16(15-3-6-24-17(15)12-14)20-25-18(22(4-5-22)32(2,29)30)13-19(26-20)27-7-9-31-10-8-27/h3,6,11-13,24H,4-5,7-10H2,1-2H3,(H,23,28) | PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 140 | 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 mTOR
(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
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of mTOR (unknown origin) |
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)) | BDBM50427308
(CHEMBL2325717)Show SMILES CS(=O)(=O)C1(CC1)c1cc(nc(n1)-c1cccc2[nH]cnc12)N1CCOCC1 Show InChI InChI=1S/C19H21N5O3S/c1-28(25,26)19(5-6-19)15-11-16(24-7-9-27-10-8-24)23-18(22-15)13-3-2-4-14-17(13)21-12-20-14/h2-4,11-12H,5-10H2,1H3,(H,20,21) | PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 180 | 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)) | BDBM50468011
(CHEMBL4294647)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 | 180 | 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)) | BDBM60432
(BDBM103466 | US8552004, 2.01)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+/m1/s1 | PDB
Reactome pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 240 | 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 | |
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