Found 17 hits with Last Name = 'kruczynski' 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 topoisomerase 1
(Homo sapiens (Human)) | BDBM50372625
(CHEMBL406538)Show SMILES NCCc1c([nH]c2cc(Br)ccc12)C(c1c[nH]c2ccccc12)c1[nH]c2cc(Br)ccc2c1CCNC(=O)C(F)(F)F |w:13.26| Show InChI InChI=1S/C31H26Br2F3N5O/c32-16-5-7-19-21(9-11-37)28(40-25(19)13-16)27(23-15-39-24-4-2-1-3-18(23)24)29-22(10-12-38-30(42)31(34,35)36)20-8-6-17(33)14-26(20)41-29/h1-8,13-15,27,39-41H,9-12,37H2,(H,38,42) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Paris-sud 11
Curated by ChEMBL
| Assay Description
Inhibition of topoisomerase 1-mediated DNA relaxation |
Bioorg Med Chem Lett 18: 1212-6 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.113
BindingDB Entry DOI: 10.7270/Q2NV9K2G |
More data for this
Ligand-Target Pair | |
DNA topoisomerase 1
(Homo sapiens (Human)) | BDBM50372627
(CHEMBL406537)Show SMILES NCCc1c([nH]c2cc(Br)ccc12)C(c1cn(c2ccccc12)S(=O)(=O)c1ccccc1)c1[nH]c2cc(Br)ccc2c1CCNC(=O)C(F)(F)F |w:13.36| Show InChI InChI=1S/C37H30Br2F3N5O3S/c38-21-10-12-24-27(14-16-43)34(45-30(24)18-21)33(29-20-47(32-9-5-4-8-26(29)32)51(49,50)23-6-2-1-3-7-23)35-28(15-17-44-36(48)37(40,41)42)25-13-11-22(39)19-31(25)46-35/h1-13,18-20,33,45-46H,14-17,43H2,(H,44,48) | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
| Article
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| n/a | n/a | 9.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Paris-sud 11
Curated by ChEMBL
| Assay Description
Inhibition of topoisomerase 1-mediated DNA relaxation |
Bioorg Med Chem Lett 18: 1212-6 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.113
BindingDB Entry DOI: 10.7270/Q2NV9K2G |
More data for this
Ligand-Target Pair | |
DNA topoisomerase 2-alpha
(Homo sapiens (Human)) | BDBM50372625
(CHEMBL406538)Show SMILES NCCc1c([nH]c2cc(Br)ccc12)C(c1c[nH]c2ccccc12)c1[nH]c2cc(Br)ccc2c1CCNC(=O)C(F)(F)F |w:13.26| Show InChI InChI=1S/C31H26Br2F3N5O/c32-16-5-7-19-21(9-11-37)28(40-25(19)13-16)27(23-15-39-24-4-2-1-3-18(23)24)29-22(10-12-38-30(42)31(34,35)36)20-8-6-17(33)14-26(20)41-29/h1-8,13-15,27,39-41H,9-12,37H2,(H,38,42) | PDB
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Paris-sud 11
Curated by ChEMBL
| Assay Description
Inhibition of topoisomerase 2 meadiated DNA relaxation |
Bioorg Med Chem Lett 18: 1212-6 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.113
BindingDB Entry DOI: 10.7270/Q2NV9K2G |
More data for this
Ligand-Target Pair | |
DNA topoisomerase 2-alpha
(Homo sapiens (Human)) | BDBM50372627
(CHEMBL406537)Show SMILES NCCc1c([nH]c2cc(Br)ccc12)C(c1cn(c2ccccc12)S(=O)(=O)c1ccccc1)c1[nH]c2cc(Br)ccc2c1CCNC(=O)C(F)(F)F |w:13.36| Show InChI InChI=1S/C37H30Br2F3N5O3S/c38-21-10-12-24-27(14-16-43)34(45-30(24)18-21)33(29-20-47(32-9-5-4-8-26(29)32)51(49,50)23-6-2-1-3-7-23)35-28(15-17-44-36(48)37(40,41)42)25-13-11-22(39)19-31(25)46-35/h1-13,18-20,33,45-46H,14-17,43H2,(H,44,48) | PDB
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| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Paris-sud 11
Curated by ChEMBL
| Assay Description
Inhibition of topoisomerase 2 meadiated DNA relaxation |
Bioorg Med Chem Lett 18: 1212-6 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.113
BindingDB Entry DOI: 10.7270/Q2NV9K2G |
More data for this
Ligand-Target Pair | |
DNA topoisomerase 2-alpha
(Homo sapiens (Human)) | BDBM50372626
(BENGACARBOLINE)Show SMILES NCCc1c([nH]c2ccccc12)C1(NCCc2c1[nH]c1ccccc21)c1c[nH]c2ccccc12 |w:12.29| Show InChI InChI=1S/C29H27N5/c30-15-13-20-18-7-1-5-11-25(18)33-27(20)29(23-17-31-24-10-4-3-9-22(23)24)28-21(14-16-32-29)19-8-2-6-12-26(19)34-28/h1-12,17,31-34H,13-16,30H2 | PDB
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| PC cid
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| Article
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| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Paris-sud 11
Curated by ChEMBL
| Assay Description
Inhibition of topoisomerase 2 meadiated DNA relaxation |
Bioorg Med Chem Lett 18: 1212-6 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.113
BindingDB Entry DOI: 10.7270/Q2NV9K2G |
More data for this
Ligand-Target Pair | |
DNA topoisomerase 2-alpha/2-beta
(Homo sapiens (Human)) | BDBM50471912
(CHEMBL139335)Show SMILES [H][C@]12COC(=O)[C@]1([H])[C@H](c1cc(OC)c(O)c(OC)c1)c1cc3OCOc3cc1[C@H]2OC1CC(N)C(O)C(C)O1 Show InChI InChI=1S/C27H31NO10/c1-11-24(29)16(28)8-21(37-11)38-26-14-7-18-17(35-10-36-18)6-13(14)22(23-15(26)9-34-27(23)31)12-4-19(32-2)25(30)20(5-12)33-3/h4-7,11,15-16,21-24,26,29-30H,8-10,28H2,1-3H3/t11?,15-,16?,21?,22+,23-,24?,26+/m0/s1 | PDB
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| PC cid
PC sid
UniChem
| Article
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| n/a | n/a | n/a | n/a | 5.60E+3 | n/a | n/a | n/a | n/a |
UMR 176 CNRS/Institut Curie
Curated by ChEMBL
| Assay Description
Concentration of compound at which inhibitory activity detected against DNA topoisomerase II |
J Med Chem 41: 4475-85 (1998)
Article DOI: 10.1021/jm9800752
BindingDB Entry DOI: 10.7270/Q2251MZB |
More data for this
Ligand-Target Pair | |
DNA topoisomerase 2-alpha/2-beta
(Homo sapiens (Human)) | BDBM50471913
(NK-611)Show SMILES [H][C@@]12C(COC1=O)C(OC1OC3COC(C)OC3C(O)C1N)c1cc3OCOc3cc1[C@H]2c1cc(OC)c(O)c(OC)c1 Show InChI InChI=1S/C29H33NO12/c1-11-36-9-20-27(40-11)25(32)23(30)29(41-20)42-26-14-7-17-16(38-10-39-17)6-13(14)21(22-15(26)8-37-28(22)33)12-4-18(34-2)24(31)19(5-12)35-3/h4-7,11,15,20-23,25-27,29,31-32H,8-10,30H2,1-3H3/t11?,15?,20?,21-,22+,23?,25?,26?,27?,29?/m1/s1 | PDB
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| PC cid
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UniChem
| Article
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| n/a | n/a | n/a | n/a | 5.60E+4 | n/a | n/a | n/a | n/a |
UMR 176 CNRS/Institut Curie
Curated by ChEMBL
| Assay Description
In vitro inhibitory activity against DNA topoisomerase II |
J Med Chem 41: 4475-85 (1998)
Article DOI: 10.1021/jm9800752
BindingDB Entry DOI: 10.7270/Q2251MZB |
More data for this
Ligand-Target Pair | |
DNA topoisomerase 2-alpha/2-beta
(Homo sapiens (Human)) | BDBM50471914
(CHEMBL336443)Show SMILES [H][C@]12COC(=O)[C@]1([H])[C@H](c1cc(OC)c(O)c(OC)c1)c1cc3OCOc3cc1[C@H]2OC1CC(NCCN)C2OC(C)OCC2O1 Show InChI InChI=1S/C31H38N2O11/c1-14-38-12-24-30(42-14)19(33-5-4-32)10-25(43-24)44-29-17-9-21-20(40-13-41-21)8-16(17)26(27-18(29)11-39-31(27)35)15-6-22(36-2)28(34)23(7-15)37-3/h6-9,14,18-19,24-27,29-30,33-34H,4-5,10-13,32H2,1-3H3/t14?,18-,19?,24?,25?,26+,27-,29+,30?/m0/s1 | PDB
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| PC cid
PC sid
UniChem
| Article
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| n/a | n/a | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a |
UMR 176 CNRS/Institut Curie
Curated by ChEMBL
| Assay Description
Concentration of compound at which inhibitory activity detected against DNA topoisomerase II |
J Med Chem 41: 4475-85 (1998)
Article DOI: 10.1021/jm9800752
BindingDB Entry DOI: 10.7270/Q2251MZB |
More data for this
Ligand-Target Pair | |
DNA topoisomerase 2-alpha/2-beta
(Homo sapiens (Human)) | BDBM50471909
(CHEMBL433875)Show SMILES [H][C@]12COC(=O)[C@]1([H])[C@H](c1cc(OC)c(O)c(OC)c1)c1cc3OCOc3cc1[C@H]2OC1CC(C2OC(C)OCC2O1)N(C)C Show InChI InChI=1S/C31H37NO11/c1-14-37-12-24-30(41-14)19(32(2)3)10-25(42-24)43-29-17-9-21-20(39-13-40-21)8-16(17)26(27-18(29)11-38-31(27)34)15-6-22(35-4)28(33)23(7-15)36-5/h6-9,14,18-19,24-27,29-30,33H,10-13H2,1-5H3/t14?,18-,19?,24?,25?,26+,27-,29+,30?/m0/s1 | PDB
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| PC cid
PC sid
UniChem
| Article
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| n/a | n/a | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a |
UMR 176 CNRS/Institut Curie
Curated by ChEMBL
| Assay Description
Concentration of compound at which inhibitory activity detected against DNA topoisomerase II |
J Med Chem 41: 4475-85 (1998)
Article DOI: 10.1021/jm9800752
BindingDB Entry DOI: 10.7270/Q2251MZB |
More data for this
Ligand-Target Pair | |
DNA topoisomerase 2-alpha/2-beta
(Homo sapiens (Human)) | BDBM50471915
(CHEMBL434650)Show SMILES [H][C@]12COC(=O)[C@]1([H])[C@H](c1cc(OC)c(O)c(OC)c1)c1cc3OCOc3cc1[C@H]2OC1CC(NCC#N)C2OC(C)OCC2O1 Show InChI InChI=1S/C31H34N2O11/c1-14-38-12-24-30(42-14)19(33-5-4-32)10-25(43-24)44-29-17-9-21-20(40-13-41-21)8-16(17)26(27-18(29)11-39-31(27)35)15-6-22(36-2)28(34)23(7-15)37-3/h6-9,14,18-19,24-27,29-30,33-34H,5,10-13H2,1-3H3/t14?,18-,19?,24?,25?,26+,27-,29+,30?/m0/s1 | PDB
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| PC cid
PC sid
UniChem
| Article
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| n/a | n/a | n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a |
UMR 176 CNRS/Institut Curie
Curated by ChEMBL
| Assay Description
Concentration of compound at which inhibitory activity detected against DNA topoisomerase II |
J Med Chem 41: 4475-85 (1998)
Article DOI: 10.1021/jm9800752
BindingDB Entry DOI: 10.7270/Q2251MZB |
More data for this
Ligand-Target Pair | |
DNA topoisomerase 2-alpha/2-beta
(Homo sapiens (Human)) | BDBM50127140
((-)-etoposide | (5S,5aR,8aR,9R)-9-(4-hydroxy-3,5-d...)Show SMILES COc1cc(cc(OC)c1O)[C@H]1[C@@H]2[C@H](COC2=O)[C@H](O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)c2cc3OCOc3cc12 |r| Show InChI InChI=1S/C29H32O13/c1-11-36-9-20-27(40-11)24(31)25(32)29(41-20)42-26-14-7-17-16(38-10-39-17)6-13(14)21(22-15(26)8-37-28(22)33)12-4-18(34-2)23(30)19(5-12)35-3/h4-7,11,15,20-22,24-27,29-32H,8-10H2,1-3H3/t11-,15+,20-,21-,22+,24-,25-,26-,27-,29+/m1/s1 | PDB
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Patents
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| PDB
Article
PubMed
| n/a | n/a | n/a | n/a | 5.60E+4 | n/a | n/a | n/a | n/a |
UMR 176 CNRS/Institut Curie
Curated by ChEMBL
| Assay Description
Concentration of compound at which inhibitory activity detected against DNA topoisomerase II |
J Med Chem 41: 4475-85 (1998)
Article DOI: 10.1021/jm9800752
BindingDB Entry DOI: 10.7270/Q2251MZB |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
DNA topoisomerase 2-alpha/2-beta
(Homo sapiens (Human)) | BDBM50471911
(CHEMBL342844)Show SMILES [H][C@]12COC(=O)[C@]1([H])[C@H](c1cc(OC)c(O)c(OC)c1)c1cc3OCOc3cc1[C@H]2OC1CC(C2OC(C)OCC2O1)N1CCOCC1 Show InChI InChI=1S/C33H39NO12/c1-16-40-14-26-32(44-16)21(34-4-6-39-7-5-34)12-27(45-26)46-31-19-11-23-22(42-15-43-23)10-18(19)28(29-20(31)13-41-33(29)36)17-8-24(37-2)30(35)25(9-17)38-3/h8-11,16,20-21,26-29,31-32,35H,4-7,12-15H2,1-3H3/t16?,20-,21?,26?,27?,28+,29-,31+,32?/m0/s1 | PDB
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| PC cid
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UniChem
| Article
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| n/a | n/a | n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a |
UMR 176 CNRS/Institut Curie
Curated by ChEMBL
| Assay Description
Concentration of compound at which inhibitory activity detected against DNA topoisomerase II |
J Med Chem 41: 4475-85 (1998)
Article DOI: 10.1021/jm9800752
BindingDB Entry DOI: 10.7270/Q2251MZB |
More data for this
Ligand-Target Pair | |
DNA topoisomerase 2-alpha/2-beta
(Homo sapiens (Human)) | BDBM50471916
(CHEMBL140036)Show SMILES [H][C@]12COC(=O)[C@]1([H])[C@H](c1cc(OC)c(O)c(OC)c1)c1cc3OCOc3cc1[C@H]2OC1CC(N)C(O)C(CN)O1 Show InChI InChI=1S/C27H32N2O10/c1-33-18-3-11(4-19(34-2)25(18)31)22-12-5-16-17(37-10-36-16)6-13(12)26(14-9-35-27(32)23(14)22)39-21-7-15(29)24(30)20(8-28)38-21/h3-6,14-15,20-24,26,30-31H,7-10,28-29H2,1-2H3/t14-,15?,20?,21?,22+,23-,24?,26+/m0/s1 | PDB
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| PC cid
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| Article
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| n/a | n/a | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a |
UMR 176 CNRS/Institut Curie
Curated by ChEMBL
| Assay Description
Concentration of compound at which inhibitory activity detected against DNA topoisomerase II |
J Med Chem 41: 4475-85 (1998)
Article DOI: 10.1021/jm9800752
BindingDB Entry DOI: 10.7270/Q2251MZB |
More data for this
Ligand-Target Pair | |
DNA topoisomerase 2-alpha/2-beta
(Homo sapiens (Human)) | BDBM50471908
(CHEMBL142016)Show SMILES [H][C@]12COC(=O)[C@]1([H])[C@H](c1cc(OC)c(O)c(OC)c1)c1cc3OCOc3cc1[C@H]2OC1CC(N)C2OC(C)OCC2O1 Show InChI InChI=1S/C29H33NO11/c1-12-35-10-22-28(39-12)17(30)8-23(40-22)41-27-15-7-19-18(37-11-38-19)6-14(15)24(25-16(27)9-36-29(25)32)13-4-20(33-2)26(31)21(5-13)34-3/h4-7,12,16-17,22-25,27-28,31H,8-11,30H2,1-3H3/t12?,16-,17?,22?,23?,24+,25-,27+,28?/m0/s1 | PDB
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| Article
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| n/a | n/a | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a |
UMR 176 CNRS/Institut Curie
Curated by ChEMBL
| Assay Description
Concentration of compound at which inhibitory activity detected against DNA topoisomerase II |
J Med Chem 41: 4475-85 (1998)
Article DOI: 10.1021/jm9800752
BindingDB Entry DOI: 10.7270/Q2251MZB |
More data for this
Ligand-Target Pair | |
DNA topoisomerase 2-alpha/2-beta
(Homo sapiens (Human)) | BDBM50471909
(CHEMBL433875)Show SMILES [H][C@]12COC(=O)[C@]1([H])[C@H](c1cc(OC)c(O)c(OC)c1)c1cc3OCOc3cc1[C@H]2OC1CC(C2OC(C)OCC2O1)N(C)C Show InChI InChI=1S/C31H37NO11/c1-14-37-12-24-30(41-14)19(32(2)3)10-25(42-24)43-29-17-9-21-20(39-13-40-21)8-16(17)26(27-18(29)11-38-31(27)34)15-6-22(35-4)28(33)23(7-15)36-5/h6-9,14,18-19,24-27,29-30,33H,10-13H2,1-5H3/t14?,18-,19?,24?,25?,26+,27-,29+,30?/m0/s1 | PDB
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| PC cid
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| n/a | n/a | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a |
UMR 176 CNRS/Institut Curie
Curated by ChEMBL
| Assay Description
Concentration of compound at which inhibitory activity detected against DNA topoisomerase II |
J Med Chem 41: 4475-85 (1998)
Article DOI: 10.1021/jm9800752
BindingDB Entry DOI: 10.7270/Q2251MZB |
More data for this
Ligand-Target Pair | |
DNA topoisomerase 2-alpha/2-beta
(Homo sapiens (Human)) | BDBM50471908
(CHEMBL142016)Show SMILES [H][C@]12COC(=O)[C@]1([H])[C@H](c1cc(OC)c(O)c(OC)c1)c1cc3OCOc3cc1[C@H]2OC1CC(N)C2OC(C)OCC2O1 Show InChI InChI=1S/C29H33NO11/c1-12-35-10-22-28(39-12)17(30)8-23(40-22)41-27-15-7-19-18(37-11-38-19)6-14(15)24(25-16(27)9-36-29(25)32)13-4-20(33-2)26(31)21(5-13)34-3/h4-7,12,16-17,22-25,27-28,31H,8-11,30H2,1-3H3/t12?,16-,17?,22?,23?,24+,25-,27+,28?/m0/s1 | PDB
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| PC cid
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| Article
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| n/a | n/a | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a |
UMR 176 CNRS/Institut Curie
Curated by ChEMBL
| Assay Description
Concentration of compound at which inhibitory activity detected against DNA topoisomerase II |
J Med Chem 41: 4475-85 (1998)
Article DOI: 10.1021/jm9800752
BindingDB Entry DOI: 10.7270/Q2251MZB |
More data for this
Ligand-Target Pair | |
DNA topoisomerase 2-alpha/2-beta
(Homo sapiens (Human)) | BDBM50471910
(CHEMBL344226)Show SMILES [H][C@]12COC(=O)[C@]1([H])[C@H](c1cc(OC)c(O)c(OC)c1)c1cc3OCOc3cc1[C@H]2O[C@@H]1CC(N)C2OC(C)OCC2O1 Show InChI InChI=1S/C29H33NO11/c1-12-35-10-22-28(39-12)17(30)8-23(40-22)41-27-15-7-19-18(37-11-38-19)6-14(15)24(25-16(27)9-36-29(25)32)13-4-20(33-2)26(31)21(5-13)34-3/h4-7,12,16-17,22-25,27-28,31H,8-11,30H2,1-3H3/t12?,16-,17?,22?,23+,24+,25-,27+,28?/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a |
UMR 176 CNRS/Institut Curie
Curated by ChEMBL
| Assay Description
Concentration of compound at which inhibitory activity detected against DNA topoisomerase II |
J Med Chem 41: 4475-85 (1998)
Article DOI: 10.1021/jm9800752
BindingDB Entry DOI: 10.7270/Q2251MZB |
More data for this
Ligand-Target Pair | |
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