Found 29 hits of Enzyme Inhibition Constant Data 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)) | BDBM50341751
(3-amino-6-(4-((1-(dimethylamino)propan-2-yl)sulfon...)Show SMILES CC(CN(C)C)S(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)C(=O)Nc1ccccc1 Show InChI InChI=1S/C22H25N5O3S/c1-15(14-27(2)3)31(29,30)18-11-9-16(10-12-18)19-13-24-21(23)20(26-19)22(28)25-17-7-5-4-6-8-17/h4-13,15H,14H2,1-3H3,(H2,23,24)(H,25,28) | PDB
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| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of DNA-PK |
Bioorg Med Chem Lett 22: 5352-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.053
BindingDB Entry DOI: 10.7270/Q23J3F2G |
More data for this
Ligand-Target Pair | |
DNA-dependent protein kinase catalytic subunit
(Homo sapiens (Human)) | BDBM15234
((1R,3R,5S,9R,18S)-18-(methoxymethyl)-1,5-dimethyl-...)Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)C[C@@H](OC(C)=O)C1=C2C(=O)c2occ3c2[C@]1(C)[C@@H](COC)OC3=O |r,c:15| Show InChI InChI=1S/C23H24O8/c1-10(24)30-13-7-22(2)12(5-6-14(22)25)16-18(13)23(3)15(9-28-4)31-21(27)11-8-29-20(17(11)23)19(16)26/h8,12-13,15H,5-7,9H2,1-4H3/t12-,13+,15+,22-,23-/m0/s1 | PDB
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Article
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| 120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of DNA-PK isolated from human HeLa cell extract |
Bioorg Med Chem Lett 22: 5352-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.053
BindingDB Entry DOI: 10.7270/Q23J3F2G |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
DNA-dependent protein kinase catalytic subunit
(Homo sapiens (Human)) | BDBM12915
(2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one |...)Show InChI InChI=1S/C19H17NO3/c21-17-13-18(20-9-11-22-12-10-20)23-19-15(7-4-8-16(17)19)14-5-2-1-3-6-14/h1-8,13H,9-12H2 | PDB
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| 6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Competitive inhibition of DNA-PK |
Bioorg Med Chem Lett 22: 5352-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.053
BindingDB Entry DOI: 10.7270/Q23J3F2G |
More data for this
Ligand-Target Pair | |
DNA-dependent protein kinase catalytic subunit
(Homo sapiens (Human)) | BDBM50319926
(2-(4-ethylpiperazin-1-yl)-N-(4-(2-morpholino-4-oxo...)Show SMILES CCN1CCN(CC(=O)Nc2ccc(-c3cccc4c3oc(cc4=O)N3CCOCC3)c3sc4ccccc4c23)CC1 Show InChI InChI=1S/C33H34N4O4S/c1-2-35-12-14-36(15-13-35)21-29(39)34-26-11-10-23(33-31(26)25-6-3-4-9-28(25)42-33)22-7-5-8-24-27(38)20-30(41-32(22)24)37-16-18-40-19-17-37/h3-11,20H,2,12-19,21H2,1H3,(H,34,39) | PDB
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| 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 DNA-PK |
Bioorg Med Chem Lett 22: 5352-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.053
BindingDB Entry DOI: 10.7270/Q23J3F2G |
More data for this
Ligand-Target Pair | |
Serine-protein kinase ATM
(Homo sapiens (Human)) | BDBM50208517
(2-morpholin-4-yl-6-thianthren-1-yl-pyran-4-one | C...)Show SMILES O=c1cc(oc(c1)-c1cccc2Sc3ccccc3Sc12)N1CCOCC1 Show InChI InChI=1S/C21H17NO3S2/c23-14-12-16(25-20(13-14)22-8-10-24-11-9-22)15-4-3-7-19-21(15)27-18-6-2-1-5-17(18)26-19/h1-7,12-13H,8-11H2 | PDB
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| 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 ATM isolated from human HeLa cell extract using glutathione S-transferase-p53N66 as substrate by ELISA |
Bioorg Med Chem Lett 22: 5352-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.053
BindingDB Entry DOI: 10.7270/Q23J3F2G |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
DNA-dependent protein kinase catalytic subunit
(Homo sapiens (Human)) | BDBM50341733
(3-amino-6-(4-(methylsulfonyl)phenyl)-N-phenylpyraz...)Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cnc(N)c(n1)C(=O)Nc1ccccc1 Show InChI InChI=1S/C18H16N4O3S/c1-26(24,25)14-9-7-12(8-10-14)15-11-20-17(19)16(22-15)18(23)21-13-5-3-2-4-6-13/h2-11H,1H3,(H2,19,20)(H,21,23) | PDB
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| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of DNA-PK |
Bioorg Med Chem Lett 22: 5352-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.053
BindingDB Entry DOI: 10.7270/Q23J3F2G |
More data for this
Ligand-Target Pair | |
DNA-dependent protein kinase catalytic subunit
(Homo sapiens (Human)) | BDBM50156495
(8-(dibenzo[b,d]thiophen-4-yl)-2-morpholino-4H-chro...)Show SMILES O=c1cc(oc2c(cccc12)-c1cccc2c3ccccc3sc12)N1CCOCC1 Show InChI InChI=1S/C25H19NO3S/c27-21-15-23(26-11-13-28-14-12-26)29-24-17(6-3-9-20(21)24)19-8-4-7-18-16-5-1-2-10-22(16)30-25(18)19/h1-10,15H,11-14H2 | PDB
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| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of DNA-PK autophosphorylation at Ser2056 residue in human CLL cells by Western blot method |
Bioorg Med Chem Lett 22: 5352-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.053
BindingDB Entry DOI: 10.7270/Q23J3F2G |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
DNA-dependent protein kinase catalytic subunit
(Mus musculus (Mouse)) | BDBM50398035
(CHEMBL2181111)Show SMILES Oc1cc(N2CCOCC2)c(-c2ccccc2)c2oc(cc(=O)c12)-c1ccccc1 Show InChI InChI=1S/C25H21NO4/c27-20-15-19(26-11-13-29-14-12-26)23(18-9-5-2-6-10-18)25-24(20)21(28)16-22(30-25)17-7-3-1-4-8-17/h1-10,15-16,27H,11-14H2 | UniProtKB/SwissProt
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| 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 DNA-PK in C57BL6 mouse endothelial cells |
Bioorg Med Chem Lett 22: 5352-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.053
BindingDB Entry DOI: 10.7270/Q23J3F2G |
More data for this
Ligand-Target Pair | |
DNA-dependent protein kinase catalytic subunit
(Mus musculus (Mouse)) | BDBM50398036
(CHEMBL1317546)Show InChI InChI=1S/C12H15NO3/c1-9(14)11-3-2-10(8-12(11)15)13-4-6-16-7-5-13/h2-3,8,15H,4-7H2,1H3 | UniProtKB/SwissProt
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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 DNA-PK in C57BL6 mouse endothelial cells |
Bioorg Med Chem Lett 22: 5352-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.053
BindingDB Entry DOI: 10.7270/Q23J3F2G |
More data for this
Ligand-Target Pair | |
DNA-dependent protein kinase catalytic subunit
(Homo sapiens (Human)) | BDBM50398042
(CHEMBL2181108)Show SMILES CCc1[nH]c(\C=C2/C(=O)Nc3ccc(cc23)S(=O)(=O)Nc2ccccc2)c(CC)c1CCC(O)=O Show InChI InChI=1S/C26H27N3O5S/c1-3-18-19(11-13-25(30)31)22(4-2)27-24(18)15-21-20-14-17(10-12-23(20)28-26(21)32)35(33,34)29-16-8-6-5-7-9-16/h5-10,12,14-15,27,29H,3-4,11,13H2,1-2H3,(H,28,32)(H,30,31)/b21-15- | PDB
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| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Competitive inhibition of DNA-PK |
Bioorg Med Chem Lett 22: 5352-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.053
BindingDB Entry DOI: 10.7270/Q23J3F2G |
More data for this
Ligand-Target Pair | |
DNA-dependent protein kinase catalytic subunit
(Homo sapiens (Human)) | BDBM50245504
(8-(biphenyl-3-yl)-2-morpholino-4H-chromen-4-one | ...)Show SMILES O=c1cc(oc2c(cccc12)-c1cccc(c1)-c1ccccc1)N1CCOCC1 Show InChI InChI=1S/C25H21NO3/c27-23-17-24(26-12-14-28-15-13-26)29-25-21(10-5-11-22(23)25)20-9-4-8-19(16-20)18-6-2-1-3-7-18/h1-11,16-17H,12-15H2 | PDB
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| 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 DNA-PK |
Bioorg Med Chem Lett 22: 5352-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.053
BindingDB Entry DOI: 10.7270/Q23J3F2G |
More data for this
Ligand-Target Pair | |
DNA-dependent protein kinase catalytic subunit
(Homo sapiens (Human)) | BDBM50132361
(2-(4-Methoxy-phenyl)-6-morpholin-4-yl-pyran-4-one ...)Show InChI InChI=1S/C16H17NO4/c1-19-14-4-2-12(3-5-14)15-10-13(18)11-16(21-15)17-6-8-20-9-7-17/h2-5,10-11H,6-9H2,1H3 | PDB
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| n/a | n/a | 220 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of DNA-PK |
Bioorg Med Chem Lett 22: 5352-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.053
BindingDB Entry DOI: 10.7270/Q23J3F2G |
More data for this
Ligand-Target Pair | |
Serine-protein kinase ATM
(Homo sapiens (Human)) | BDBM50398033
(CHEMBL2181114)Show InChI InChI=1S/C11H14O6/c1-4-15-9(13)11(10(14)16-5-2)6-17-8(12)7(11)3/h3-6H2,1-2H3 | PDB
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| n/a | n/a | 250 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of ATM isolated from human HeLa cell extract using glutathione S-transferase-p53N66 as substrate by ELISA |
Bioorg Med Chem Lett 22: 5352-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.053
BindingDB Entry DOI: 10.7270/Q23J3F2G |
More data for this
Ligand-Target Pair | |
DNA-dependent protein kinase catalytic subunit
(Homo sapiens (Human)) | BDBM50132365
(2-(4-Methoxy-phenyl)-6-morpholin-4-yl-thiopyran-4-...)Show InChI InChI=1S/C16H17NO3S/c1-19-14-4-2-12(3-5-14)15-10-13(18)11-16(21-15)17-6-8-20-9-7-17/h2-5,10-11H,6-9H2,1H3 | PDB
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| n/a | n/a | 280 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of DNA-PK |
Bioorg Med Chem Lett 22: 5352-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.053
BindingDB Entry DOI: 10.7270/Q23J3F2G |
More data for this
Ligand-Target Pair | |
DNA-dependent protein kinase catalytic subunit
(Homo sapiens (Human)) | BDBM50398037
(CHEMBL2181110)Show InChI InChI=1S/C11H13NO3/c13-8-9-1-2-10(7-11(9)14)12-3-5-15-6-4-12/h1-2,7-8,14H,3-6H2 | PDB
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| n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of DNA-PK isolated from human HeLa cell extract assessed as inhibition of p53 peptide fragment phosphorylation after 10 mins |
Bioorg Med Chem Lett 22: 5352-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.053
BindingDB Entry DOI: 10.7270/Q23J3F2G |
More data for this
Ligand-Target Pair | |
Serine-protein kinase ATM
(Homo sapiens (Human)) | BDBM50398034
(CHEMBL2181113)Show SMILES C=C1[C@H](COC1=O)C(=O)N1Cc2cc3ccccc3nc2C1 |r| Show InChI InChI=1S/C17H14N2O3/c1-10-13(9-22-17(10)21)16(20)19-7-12-6-11-4-2-3-5-14(11)18-15(12)8-19/h2-6,13H,1,7-9H2/t13-/m0/s1 | PDB
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| n/a | n/a | 600 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of ATM isolated from human HeLa cell extract using glutathione S-transferase-p53N66 as substrate by ELISA |
Bioorg Med Chem Lett 22: 5352-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.053
BindingDB Entry DOI: 10.7270/Q23J3F2G |
More data for this
Ligand-Target Pair | |
DNA-dependent protein kinase catalytic subunit
(Homo sapiens (Human)) | BDBM50341712
(3-amino-N,6-diphenylpyrazine-2-carboxamide | CHEMB...)Show InChI InChI=1S/C17H14N4O/c18-16-15(17(22)20-13-9-5-2-6-10-13)21-14(11-19-16)12-7-3-1-4-8-12/h1-11H,(H2,18,19)(H,20,22) | PDB
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| n/a | n/a | 620 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Competitive inhibition of DNA-PK |
Bioorg Med Chem Lett 22: 5352-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.053
BindingDB Entry DOI: 10.7270/Q23J3F2G |
More data for this
Ligand-Target Pair | |
DNA-dependent protein kinase catalytic subunit
(Homo sapiens (Human)) | BDBM50398041
(CHEMBL2181112)Show SMILES Cc1ccc2c3ccccc3sc2c1-c1cccc2c1oc(cc2=O)N1CCOCC1 |(19.79,-10.3,;18.46,-9.52,;18.46,-7.98,;17.12,-7.21,;15.77,-7.99,;14.3,-7.52,;13.67,-6.13,;12.14,-5.98,;11.25,-7.24,;11.89,-8.63,;13.41,-8.77,;14.32,-10.01,;15.78,-9.53,;17.12,-10.29,;17.12,-11.83,;15.78,-12.6,;15.79,-14.15,;17.12,-14.91,;18.45,-14.14,;18.45,-12.6,;19.78,-11.83,;21.12,-12.59,;21.12,-14.14,;19.79,-14.91,;19.79,-16.46,;22.44,-11.81,;23.78,-12.58,;25.11,-11.8,;25.11,-10.26,;23.76,-9.49,;22.43,-10.28,)| Show InChI InChI=1S/C26H21NO3S/c1-16-9-10-18-17-5-2-3-8-22(17)31-26(18)24(16)20-7-4-6-19-21(28)15-23(30-25(19)20)27-11-13-29-14-12-27/h2-10,15H,11-14H2,1H3 | PDB
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| n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of DNA-PK |
Bioorg Med Chem Lett 22: 5352-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.053
BindingDB Entry DOI: 10.7270/Q23J3F2G |
More data for this
Ligand-Target Pair | |
DNA-dependent protein kinase catalytic subunit
(Homo sapiens (Human)) | BDBM50398038
(CHEMBL2181107)Show SMILES CO[C@@H]1C[C@H](C)Cc2c(O)c(NC(=O)C(C)=CC=C[C@@H](OC)[C@H](OC(N)=O)\C(C)=C\[C@@H](C)[C@@H]1O)cc(O)c2N=CCCCCCOc1ccc2c(c1)oc(cc2=O)N1CCOCC1 |r,w:17.16,14.14,38.39,t:28| Show InChI InChI=1S/C47H62N4O12/c1-28-22-34-42(49-16-9-7-8-10-19-61-32-14-15-33-36(52)27-41(62-39(33)25-32)51-17-20-60-21-18-51)37(53)26-35(44(34)55)50-46(56)29(2)12-11-13-38(58-5)45(63-47(48)57)31(4)24-30(3)43(54)40(23-28)59-6/h11-16,24-28,30,38,40,43,45,53-55H,7-10,17-23H2,1-6H3,(H2,48,57)(H,50,56)/b13-11?,29-12?,31-24+,49-16?/t28-,30-,38-,40-,43+,45-/m1/s1 | PDB
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| n/a | n/a | 6.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of DNA-PK |
Bioorg Med Chem Lett 22: 5352-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.053
BindingDB Entry DOI: 10.7270/Q23J3F2G |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM5566
(2,6-Diamino-4-cyclohexylmethoxy-5-nitrosopyrimidin...)Show InChI InChI=1S/C11H17N5O2/c12-9-8(16-17)10(15-11(13)14-9)18-6-7-4-2-1-3-5-7/h7H,1-6H2,(H4,12,13,14,15) | PDB
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| Article
PubMed
| n/a | n/a | 6.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of flag-tagged ATR expressed in HEK293T cells using PHAS-1 as substrate after 20 mins by autoradiography |
Bioorg Med Chem Lett 22: 5352-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.053
BindingDB Entry DOI: 10.7270/Q23J3F2G |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase ATR
(Homo sapiens (Human)) | BDBM50341711
(CHEMBL479488 | schisandrin B)Show SMILES COc1cc2CC(C)C(C)Cc3cc4OCOc4c(OC)c3-c2c(OC)c1OC Show InChI InChI=1S/C23H28O6/c1-12-7-14-9-16(24-3)20(25-4)22(26-5)18(14)19-15(8-13(12)2)10-17-21(23(19)27-6)29-11-28-17/h9-10,12-13H,7-8,11H2,1-6H3 | PDB
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PubMed
| n/a | n/a | 7.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of flag-tagged ATR expressed in HEK293T cells using PHAS-1 as substrate after 20 mins by autoradiography |
Bioorg Med Chem Lett 22: 5352-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.053
BindingDB Entry DOI: 10.7270/Q23J3F2G |
More data for this
Ligand-Target Pair | |
DNA-dependent protein kinase catalytic subunit
(Homo sapiens (Human)) | BDBM50105673
(2-Hydrazonomethyl-6-oxo-1,6-dihydro-[3,4']bipyridi...)Show InChI InChI=1S/C12H9N5O/c13-6-9-5-10(8-1-3-15-4-2-8)11(7-16-14)17-12(9)18/h1-5,14H,7H2,(H,17,18) | PDB
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| n/a | n/a | 8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Competitive inhibition of DNA-PK |
Bioorg Med Chem Lett 22: 5352-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.053
BindingDB Entry DOI: 10.7270/Q23J3F2G |
More data for this
Ligand-Target Pair | |
DNA-dependent protein kinase catalytic subunit
(Homo sapiens (Human)) | BDBM50398040
(CHEMBL1332518)Show InChI InChI=1S/C9H9NO5/c1-14-8-3-6(5-11)7(10(12)13)4-9(8)15-2/h3-5H,1-2H3 | PDB
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| n/a | n/a | 1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of DNA-PK assessed as inhibition of p53 peptide phosphorylation |
Bioorg Med Chem Lett 22: 5352-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.053
BindingDB Entry DOI: 10.7270/Q23J3F2G |
More data for this
Ligand-Target Pair | |
DNA-dependent protein kinase catalytic subunit
(Homo sapiens (Human)) | BDBM50398039
(CHEMBL2181109)Show InChI InChI=1S/C9H9BrO3/c1-12-8-3-6(5-11)7(10)4-9(8)13-2/h3-5H,1-2H3 | PDB
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| n/a | n/a | 3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of DNA-PK assessed as inhibition of p53 peptide phosphorylation |
Bioorg Med Chem Lett 22: 5352-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.053
BindingDB Entry DOI: 10.7270/Q23J3F2G |
More data for this
Ligand-Target Pair | |
DNA-dependent protein kinase catalytic subunit
(Homo sapiens (Human)) | BDBM79181
(10-[3-(4-methyl-1-piperazinyl)propyl]-2-(trifluoro...)Show SMILES CN1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1 Show InChI InChI=1S/C21H24F3N3S/c1-25-11-13-26(14-12-25)9-4-10-27-17-5-2-3-6-19(17)28-20-8-7-16(15-18(20)27)21(22,23)24/h2-3,5-8,15H,4,9-14H2,1H3 | PDB
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| n/a | n/a | 1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of DNA-PK in human U1810 cells after 30 mins |
Bioorg Med Chem Lett 22: 5352-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.053
BindingDB Entry DOI: 10.7270/Q23J3F2G |
More data for this
Ligand-Target Pair | |
DNA-dependent protein kinase catalytic subunit
(Homo sapiens (Human)) | BDBM50208535
(6-(4-methoxyphenyl)-2-morpholin-4-ylpyridin-4-ol |...)Show InChI InChI=1S/C16H18N2O3/c1-20-14-4-2-12(3-5-14)15-10-13(19)11-16(17-15)18-6-8-21-9-7-18/h2-5,10-11H,6-9H2,1H3,(H,17,19) | PDB
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| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of DNA-PK |
Bioorg Med Chem Lett 22: 5352-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.053
BindingDB Entry DOI: 10.7270/Q23J3F2G |
More data for this
Ligand-Target Pair | |
DNA-dependent protein kinase catalytic subunit
(Homo sapiens (Human)) | BDBM50105673
(2-Hydrazonomethyl-6-oxo-1,6-dihydro-[3,4']bipyridi...)Show InChI InChI=1S/C12H9N5O/c13-6-9-5-10(8-1-3-15-4-2-8)11(7-16-14)17-12(9)18/h1-5,14H,7H2,(H,17,18) | PDB
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| n/a | n/a | 1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of DNA-PK |
Bioorg Med Chem Lett 22: 5352-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.053
BindingDB Entry DOI: 10.7270/Q23J3F2G |
More data for this
Ligand-Target Pair | |
DNA-dependent protein kinase catalytic subunit
(Homo sapiens (Human)) | BDBM50177405
(3-methoxy-4-hydroxybenzaldehyde | 4-hydroxy-3-meth...)Show InChI InChI=1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3 | PDB
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| n/a | n/a | 1.50E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of DNA-PK assessed as inhibition of p53 peptide phosphorylation |
Bioorg Med Chem Lett 22: 5352-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.053
BindingDB Entry DOI: 10.7270/Q23J3F2G |
More data for this
Ligand-Target Pair | |
Heat shock protein HSP 90-beta
(Homo sapiens (Human)) | BDBM50398038
(CHEMBL2181107)Show SMILES CO[C@@H]1C[C@H](C)Cc2c(O)c(NC(=O)C(C)=CC=C[C@@H](OC)[C@H](OC(N)=O)\C(C)=C\[C@@H](C)[C@@H]1O)cc(O)c2N=CCCCCCOc1ccc2c(c1)oc(cc2=O)N1CCOCC1 |r,w:17.16,14.14,38.39,t:28| Show InChI InChI=1S/C47H62N4O12/c1-28-22-34-42(49-16-9-7-8-10-19-61-32-14-15-33-36(52)27-41(62-39(33)25-32)51-17-20-60-21-18-51)37(53)26-35(44(34)55)50-46(56)29(2)12-11-13-38(58-5)45(63-47(48)57)31(4)24-30(3)43(54)40(23-28)59-6/h11-16,24-28,30,38,40,43,45,53-55H,7-10,17-23H2,1-6H3,(H2,48,57)(H,50,56)/b13-11?,29-12?,31-24+,49-16?/t28-,30-,38-,40-,43+,45-/m1/s1 | PDB
MMDB
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| n/a | n/a | n/a | n/a | 4.00E+3 | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Inhibition of Hsp90 |
Bioorg Med Chem Lett 22: 5352-9 (2012)
Article DOI: 10.1016/j.bmcl.2012.06.053
BindingDB Entry DOI: 10.7270/Q23J3F2G |
More data for this
Ligand-Target Pair | |
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