Found 164 hits with Last Name = 'cronin' and Initial = 'a' 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 |
|---|
DNA-dependent protein kinase catalytic subunit
(Homo sapiens (Human)) | BDBM50599238
(CHEMBL5181303 | US11884671, Example 29)Show SMILES Cc1cc2nnccc2cc1Nc1ncc2n(C)c(=O)n(C3CCOCC3)c2n1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | <0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00172
BindingDB Entry DOI: 10.7270/Q2MP57BC |
More data for this
Ligand-Target Pair | |
DNA-dependent protein kinase catalytic subunit
(Homo sapiens (Human)) | BDBM50599239
(CHEMBL5184141 | US11884671, Example 32)Show SMILES Cc1cc2ncncc2cc1Nc1ncc2n(C)c(=O)n(C3CCOCC3)c2n1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | <0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00172
BindingDB Entry DOI: 10.7270/Q2MP57BC |
More data for this
Ligand-Target Pair | |
DNA-dependent protein kinase catalytic subunit
(Homo sapiens (Human)) | BDBM50599237
(CHEMBL5180090 | US11884671, Example 30)Show SMILES Cc1cc2ncccc2cc1Nc1ncc2n(C)c(=O)n(C3CCOCC3)c2n1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.120 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00172
BindingDB Entry DOI: 10.7270/Q2MP57BC |
More data for this
Ligand-Target Pair | |
DNA-dependent protein kinase catalytic subunit
(Homo sapiens (Human)) | BDBM50599240
(CHEMBL5194436 | US11884671, Example 31)Show SMILES Cc1cc2nccnc2cc1Nc1ncc2n(C)c(=O)n(C3CCOCC3)c2n1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.130 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00172
BindingDB Entry DOI: 10.7270/Q2MP57BC |
More data for this
Ligand-Target Pair | |
DNA-dependent protein kinase catalytic subunit
(Homo sapiens (Human)) | BDBM50599247
(CHEMBL5197250)Show SMILES Cc1cc2ncccc2cc1Nc1ncc2n(C)c(=O)n([C@H]3CCN(C3)C3COC3)c2n1 |r| | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.370 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00172
BindingDB Entry DOI: 10.7270/Q2MP57BC |
More data for this
Ligand-Target Pair | |
DNA-dependent protein kinase catalytic subunit
(Homo sapiens (Human)) | BDBM50599234
(CHEMBL5170489 | US11884671, Example 52)Show SMILES Cc1cc2ncccc2cc1Nc1ncc2n(C)c(=O)n([C@@H]3CNC[C@H]3F)c2n1 |r| | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 0.510 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00172
BindingDB Entry DOI: 10.7270/Q2MP57BC |
More data for this
Ligand-Target Pair | |
DNA-dependent protein kinase catalytic subunit
(Homo sapiens (Human)) | BDBM413450
(7-methyl-2-((7-methyl-[1,2,4]triazolo[1,5-a]pyridi...)Show SMILES Cc1cc2ncnn2cc1Nc1ncc2n(C)c(=O)n(C3CCOCC3)c2n1 Show InChI InChI=1S/C18H20N8O2/c1-11-7-15-20-10-21-25(15)9-13(11)22-17-19-8-14-16(23-17)26(18(27)24(14)2)12-3-5-28-6-4-12/h7-10,12H,3-6H2,1-2H3,(H,19,22,23) | PDB
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UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
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| Purchase
MCE
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00172
BindingDB Entry DOI: 10.7270/Q2MP57BC |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
DNA-dependent protein kinase catalytic subunit
(Homo sapiens (Human)) | BDBM50599248
(CHEMBL5179972)Show SMILES CN1C[C@@H](F)[C@@H](C1)n1c2nc(Nc3cc4cccnc4cc3C)ncc2n(C)c1=O |r| | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.640 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00172
BindingDB Entry DOI: 10.7270/Q2MP57BC |
More data for this
Ligand-Target Pair | |
DNA-dependent protein kinase catalytic subunit
(Homo sapiens (Human)) | BDBM50599243
(CHEMBL5192430 | US11884671, Example 37)Show SMILES Cc1cc2ncccc2cc1Nc1ncc2n(C)c(=O)n(C3CCNCC3)c2n1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.690 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00172
BindingDB Entry DOI: 10.7270/Q2MP57BC |
More data for this
Ligand-Target Pair | |
DNA-dependent protein kinase catalytic subunit
(Homo sapiens (Human)) | BDBM50599242
(CHEMBL5196848 | US11884671, Example 45)Show SMILES CN1CCC(CC1)n1c2nc(Nc3cc4nccnc4cc3C)ncc2n(C)c1=O | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.690 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00172
BindingDB Entry DOI: 10.7270/Q2MP57BC |
More data for this
Ligand-Target Pair | |
DNA-dependent protein kinase catalytic subunit
(Homo sapiens (Human)) | BDBM50599245
(CHEMBL5191577)Show SMILES Cc1cc2ncccc2cc1Nc1ncc2n(C)c(=O)n([C@H]3CCN(CCO)C3)c2n1 |r| | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.75 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00172
BindingDB Entry DOI: 10.7270/Q2MP57BC |
More data for this
Ligand-Target Pair | |
DNA-dependent protein kinase catalytic subunit
(Homo sapiens (Human)) | BDBM50599251
(CHEMBL5198414 | US11884671, Example 42)Show SMILES CN1CC[C@@H](C1)n1c2nc(Nc3cc4cccnc4cc3C)ncc2n(C)c1=O |r| | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00172
BindingDB Entry DOI: 10.7270/Q2MP57BC |
More data for this
Ligand-Target Pair | |
DNA-dependent protein kinase catalytic subunit
(Homo sapiens (Human)) | BDBM50599250
(CHEMBL5178837)Show SMILES Cc1cc2ncccc2cc1Nc1ncc2n(C)c(=O)n([C@@H]3CNC[C@@H]3F)c2n1 |r| | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00172
BindingDB Entry DOI: 10.7270/Q2MP57BC |
More data for this
Ligand-Target Pair | |
DNA-dependent protein kinase catalytic subunit
(Homo sapiens (Human)) | BDBM50599246
(CHEMBL5204870)Show SMILES COCCN1CC[C@@H](C1)n1c2nc(Nc3cc4cccnc4cc3C)ncc2n(C)c1=O |r| | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00172
BindingDB Entry DOI: 10.7270/Q2MP57BC |
More data for this
Ligand-Target Pair | |
DNA-dependent protein kinase catalytic subunit
(Homo sapiens (Human)) | BDBM50599244
(CHEMBL5182028 | US11884671, Example 41)Show SMILES CN1CC[C@H](C1)n1c2nc(Nc3cc4cccnc4cc3C)ncc2n(C)c1=O |r| | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00172
BindingDB Entry DOI: 10.7270/Q2MP57BC |
More data for this
Ligand-Target Pair | |
DNA-dependent protein kinase catalytic subunit
(Homo sapiens (Human)) | BDBM50599249
(CHEMBL5182752)Show SMILES CN1C[C@H](F)[C@@H](C1)n1c2nc(Nc3cc4cccnc4cc3C)ncc2n(C)c1=O |r| | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00172
BindingDB Entry DOI: 10.7270/Q2MP57BC |
More data for this
Ligand-Target Pair | |
DNA-dependent protein kinase catalytic subunit
(Homo sapiens (Human)) | BDBM50599236
(CHEMBL5186637 | US11884671, Example 44)Show SMILES CN1CCC(CC1)n1c2nc(Nc3cc4cccnc4cc3C)ncc2n(C)c1=O | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00172
BindingDB Entry DOI: 10.7270/Q2MP57BC |
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
Reactome pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| 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-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)) | 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
Reactome pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
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-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)) | 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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| 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 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)) | 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
Reactome pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
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-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
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-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)) | 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-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)) | 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
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 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)) | 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
Reactome pathway
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
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-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)) | 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
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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 | |
DNA-dependent protein kinase catalytic subunit
(Homo sapiens (Human)) | BDBM50599237
(CHEMBL5180090 | US11884671, Example 30)Show SMILES Cc1cc2ncccc2cc1Nc1ncc2n(C)c(=O)n(C3CCOCC3)c2n1 | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00172
BindingDB Entry DOI: 10.7270/Q2MP57BC |
More data for this
Ligand-Target Pair | |
DNA-dependent protein kinase catalytic subunit
(Homo sapiens (Human)) | BDBM50599235
(CHEMBL5171684)Show SMILES CN1CCC(CC1)n1c2nc(Nc3cn4ncnc4cc3C)ncc2n(C)c1=O | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00172
BindingDB Entry DOI: 10.7270/Q2MP57BC |
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
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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 | |
DNA-dependent protein kinase catalytic subunit
(Homo sapiens (Human)) | BDBM50599241
(CHEMBL5198162 | US11884671, Example 43)Show SMILES CN1CCC(CC1)n1c2nc(Nc3cc4ccnnc4cc3C)ncc2n(C)c1=O | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00172
BindingDB Entry DOI: 10.7270/Q2MP57BC |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM50427296
(CHEMBL2325440)Show SMILES CS(=O)(=O)C1(CC1)c1cc(nc(n1)-c1cc(Cl)cc2[nH]ccc12)N1CCOCC1 Show InChI InChI=1S/C20H21ClN4O3S/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
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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 | |
DNA-dependent protein kinase catalytic subunit
(Homo sapiens (Human)) | BDBM50599239
(CHEMBL5184141 | US11884671, Example 32)Show SMILES Cc1cc2ncncc2cc1Nc1ncc2n(C)c(=O)n(C3CCOCC3)c2n1 | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00172
BindingDB Entry DOI: 10.7270/Q2MP57BC |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM50427295
(CHEMBL2325695)Show SMILES COc1cc(-c2nc(cc(n2)C2(CC2)S(C)(=O)=O)N2CCOCC2)c2cc[nH]c2c1 Show InChI InChI=1S/C21H24N4O4S/c1-28-14-11-16(15-3-6-22-17(15)12-14)20-23-18(21(4-5-21)30(2,26)27)13-19(24-20)25-7-9-29-10-8-25/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 | |
DNA-dependent protein kinase catalytic subunit
(Homo sapiens (Human)) | BDBM50599240
(CHEMBL5194436 | US11884671, Example 31)Show SMILES Cc1cc2nccnc2cc1Nc1ncc2n(C)c(=O)n(C3CCOCC3)c2n1 | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00172
BindingDB Entry DOI: 10.7270/Q2MP57BC |
More data for this
Ligand-Target Pair | |
DNA-dependent protein kinase catalytic subunit
(Homo sapiens (Human)) | BDBM50599238
(CHEMBL5181303 | US11884671, Example 29)Show SMILES Cc1cc2nnccc2cc1Nc1ncc2n(C)c(=O)n(C3CCOCC3)c2n1 | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00172
BindingDB Entry DOI: 10.7270/Q2MP57BC |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM50427307
(CHEMBL2325718)Show SMILES Cc1cc2c(cccc2[nH]1)-c1nc(cc(n1)C1(CC1)S(C)(=O)=O)N1CCOCC1 Show InChI InChI=1S/C21H24N4O3S/c1-14-12-16-15(4-3-5-17(16)22-14)20-23-18(21(6-7-21)29(2,26)27)13-19(24-20)25-8-10-28-11-9-25/h3-5,12-13,22H,6-11H2,1-2H3 | 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)) | BDBM50384254
(CHEMBL2030442)Show SMILES CS(=O)(=O)Cc1cc(nc(n1)-c1cccc2[nH]ccc12)N1CCOCC1 Show InChI InChI=1S/C18H20N4O3S/c1-26(23,24)12-13-11-17(22-7-9-25-10-8-22)21-18(20-13)15-3-2-4-16-14(15)5-6-19-16/h2-6,11,19H,7-10,12H2,1H3 | 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)) | BDBM50427313
(CHEMBL2325712)Show SMILES O=S(=O)(c1ccccn1)C1(CC1)c1cc(nc(n1)-c1cccc2[nH]ccc12)N1CCOCC1 Show InChI InChI=1S/C24H23N5O3S/c30-33(31,22-6-1-2-10-26-22)24(8-9-24)20-16-21(29-12-14-32-15-13-29)28-23(27-20)18-4-3-5-19-17(18)7-11-25-19/h1-7,10-11,16,25H,8-9,12-15H2 | 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)) | BDBM50427316
(CHEMBL2325709)Show SMILES O=S(=O)(C1CCOCC1)C1(CC1)c1cc(nc(n1)-c1cccc2[nH]ccc12)N1CCOCC1 Show InChI InChI=1S/C24H28N4O4S/c29-33(30,17-5-12-31-13-6-17)24(7-8-24)21-16-22(28-10-14-32-15-11-28)27-23(26-21)19-2-1-3-20-18(19)4-9-25-20/h1-4,9,16-17,25H,5-8,10-15H2 | 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)) | BDBM50427329
(CHEMBL2325696)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-/m0/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 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
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AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of mTOR-mediated AKT phosphorylation at serine 473 in human MDA-MB-468 cells |
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 | |
DNA-dependent protein kinase catalytic subunit
(Homo sapiens (Human)) | BDBM50599247
(CHEMBL5197250)Show SMILES Cc1cc2ncccc2cc1Nc1ncc2n(C)c(=O)n([C@H]3CCN(C3)C3COC3)c2n1 |r| | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00172
BindingDB Entry DOI: 10.7270/Q2MP57BC |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM50427298
(CHEMBL2325438)Show SMILES CS(=O)(=O)C1(CC1)c1cc(nc(n1)-c1cc(cc2[nH]ccc12)C(N)=O)N1CCOCC1 Show InChI InChI=1S/C21H23N5O4S/c1-31(28,29)21(3-4-21)17-12-18(26-6-8-30-9-7-26)25-20(24-17)15-10-13(19(22)27)11-16-14(15)2-5-23-16/h2,5,10-12,23H,3-4,6-9H2,1H3,(H2,22,27) | 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)) | BDBM50427315
(CHEMBL2325710)Show SMILES O=S(=O)(C1CCNCC1)C1(CC1)c1cc(nc(n1)-c1cccc2[nH]ccc12)N1CCOCC1 Show InChI InChI=1S/C24H29N5O3S/c30-33(31,17-4-9-25-10-5-17)24(7-8-24)21-16-22(29-12-14-32-15-13-29)28-23(27-21)19-2-1-3-20-18(19)6-11-26-20/h1-3,6,11,16-17,25-26H,4-5,7-10,12-15H2 | 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)) | 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-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)) | BDBM50427318
(CHEMBL2325707)Show SMILES CN1CCC(CC1)(c1cc(nc(n1)-c1cccc2[nH]ccc12)N1CCOCC1)S(C)(=O)=O Show InChI InChI=1S/C23H29N5O3S/c1-27-10-7-23(8-11-27,32(2,29)30)20-16-21(28-12-14-31-15-13-28)26-22(25-20)18-4-3-5-19-17(18)6-9-24-19/h3-6,9,16,24H,7-8,10-15H2,1-2H3 | 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)) | BDBM50427301
(CHEMBL2325724)Show SMILES CS(=O)(=O)C1(CC1)c1cc(nc(n1)-c1cc(cc2[nH]ccc12)C#N)N1CCOCC1 Show InChI InChI=1S/C21H21N5O3S/c1-30(27,28)21(3-4-21)18-12-19(26-6-8-29-9-7-26)25-20(24-18)16-10-14(13-22)11-17-15(16)2-5-23-17/h2,5,10-12,23H,3-4,6-9H2,1H3 | PDB
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| n/a | n/a | 66 | 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 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 | |
DNA-dependent protein kinase catalytic subunit
(Homo sapiens (Human)) | BDBM413450
(7-methyl-2-((7-methyl-[1,2,4]triazolo[1,5-a]pyridi...)Show SMILES Cc1cc2ncnn2cc1Nc1ncc2n(C)c(=O)n(C3CCOCC3)c2n1 Show InChI InChI=1S/C18H20N8O2/c1-11-7-15-20-10-21-25(15)9-13(11)22-17-19-8-14-16(23-17)26(18(27)24(14)2)12-3-5-28-6-4-12/h7-10,12H,3-6H2,1-2H3,(H,19,22,23) | PDB
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MCE
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 92 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00172
BindingDB Entry DOI: 10.7270/Q2MP57BC |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
DNA-dependent protein kinase catalytic subunit
(Homo sapiens (Human)) | BDBM50599242
(CHEMBL5196848 | US11884671, Example 45)Show SMILES CN1CCC(CC1)n1c2nc(Nc3cc4nccnc4cc3C)ncc2n(C)c1=O | PDB
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| Article
PubMed
| n/a | n/a | 107 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00172
BindingDB Entry DOI: 10.7270/Q2MP57BC |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM50427310
(CHEMBL2325715)Show SMILES CS(=O)(=O)C1(CC1)c1cc(nc(n1)-c1cccc2NC(=O)Cc12)N1CCOCC1 Show InChI InChI=1S/C20H22N4O4S/c1-29(26,27)20(5-6-20)16-12-17(24-7-9-28-10-8-24)23-19(22-16)13-3-2-4-15-14(13)11-18(25)21-15/h2-4,12H,5-11H2,1H3,(H,21,25) | PDB
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antibodypedia
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| 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-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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