Found 9 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 topoisomerase 2-alpha/2-beta
(Homo sapiens (Human)) | BDBM50474910
(CHEMBL189836)Show SMILES [H][C@@]1(CC[C@]2(C)C3CCC4C(C)(C)C(=O)C(C=O)=C[C@]4(C)C3=CC[C@]12C)[C@H](C)CC[C@@H](O)C(C)(C)O |c:17,23| Show InChI InChI=1S/C31H48O4/c1-19(9-12-25(33)28(4,5)35)21-13-15-31(8)23-10-11-24-27(2,3)26(34)20(18-32)17-29(24,6)22(23)14-16-30(21,31)7/h14,17-19,21,23-25,33,35H,9-13,15-16H2,1-8H3/t19-,21-,23?,24?,25-,29-,30-,31-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.86E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Osaka University of Pharmaceutical Sciences
Curated by ChEMBL
| Assay Description
Inhibitory concentration against human DNA topoisomerase II |
Bioorg Med Chem Lett 15: 2966-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.052
BindingDB Entry DOI: 10.7270/Q2NZ8BDQ |
More data for this
Ligand-Target Pair | |
DNA topoisomerase 2-alpha/2-beta
(Homo sapiens (Human)) | BDBM50474907
(CHEMBL193251)Show SMILES [H][C@@]1(CC[C@]2(C)C3CCC4C(C)(C)C(=O)C(Br)=C[C@]4(C)C3=CC[C@]12C)[C@H](C)CC[C@@H](O)C(C)(C)O |c:16,22| Show InChI InChI=1S/C30H47BrO3/c1-18(9-12-24(32)27(4,5)34)19-13-15-30(8)21-10-11-23-26(2,3)25(33)22(31)17-28(23,6)20(21)14-16-29(19,30)7/h14,17-19,21,23-24,32,34H,9-13,15-16H2,1-8H3/t18-,19-,21?,23?,24-,28-,29-,30-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.83E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Osaka University of Pharmaceutical Sciences
Curated by ChEMBL
| Assay Description
Inhibitory concentration against human DNA topoisomerase II |
Bioorg Med Chem Lett 15: 2966-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.052
BindingDB Entry DOI: 10.7270/Q2NZ8BDQ |
More data for this
Ligand-Target Pair | |
DNA topoisomerase 2-alpha/2-beta
(Homo sapiens (Human)) | BDBM50474904
(CHEMBL191216)Show SMILES [H][C@@]1(CC[C@]2(C)C3CCC4C(C)(C)C(=O)C(OC)=C[C@]4(C)C3=CC[C@]12C)[C@H](C)CC[C@@H](O)C(C)(C)O |c:17,23| Show InChI InChI=1S/C31H50O4/c1-19(10-13-25(32)28(4,5)34)20-14-16-31(8)22-11-12-24-27(2,3)26(33)23(35-9)18-29(24,6)21(22)15-17-30(20,31)7/h15,18-20,22,24-25,32,34H,10-14,16-17H2,1-9H3/t19-,20-,22?,24?,25-,29-,30-,31-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.27E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Osaka University of Pharmaceutical Sciences
Curated by ChEMBL
| Assay Description
Inhibitory concentration against human DNA topoisomerase II |
Bioorg Med Chem Lett 15: 2966-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.052
BindingDB Entry DOI: 10.7270/Q2NZ8BDQ |
More data for this
Ligand-Target Pair | |
DNA topoisomerase 2-alpha/2-beta
(Homo sapiens (Human)) | BDBM50474909
(CHEMBL189793)Show SMILES [H][C@@]1(CC[C@]2(C)C3CCC4C(C)(C)C(=O)C(=C[C@]4(C)C3=CC[C@]12C)C(O)=O)[C@H](C)CC[C@@H](O)C(C)(C)O |c:15,21| Show InChI InChI=1S/C31H48O5/c1-18(9-12-24(32)28(4,5)36)20-13-15-31(8)22-10-11-23-27(2,3)25(33)19(26(34)35)17-29(23,6)21(22)14-16-30(20,31)7/h14,17-18,20,22-24,32,36H,9-13,15-16H2,1-8H3,(H,34,35)/t18-,20-,22?,23?,24-,29-,30-,31-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.38E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Osaka University of Pharmaceutical Sciences
Curated by ChEMBL
| Assay Description
Inhibitory concentration against human DNA topoisomerase II |
Bioorg Med Chem Lett 15: 2966-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.052
BindingDB Entry DOI: 10.7270/Q2NZ8BDQ |
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
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 5.04E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Osaka University of Pharmaceutical Sciences
Curated by ChEMBL
| Assay Description
Inhibitory concentration against human DNA topoisomerase II |
Bioorg Med Chem Lett 15: 2966-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.052
BindingDB Entry DOI: 10.7270/Q2NZ8BDQ |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
DNA topoisomerase 2-alpha/2-beta
(Homo sapiens (Human)) | BDBM50474905
(CHEMBL426087)Show SMILES [H][C@@]1(CC[C@]2(C)C3CCC4C(C)(C)C(=O)C(=C[C@]4(C)C3=CC[C@]12C)C(=O)OC)[C@H](C)CC[C@@H](O)C(C)(C)O |c:15,21| Show InChI InChI=1S/C32H50O5/c1-19(10-13-25(33)29(4,5)36)21-14-16-32(8)23-11-12-24-28(2,3)26(34)20(27(35)37-9)18-30(24,6)22(23)15-17-31(21,32)7/h15,18-19,21,23-25,33,36H,10-14,16-17H2,1-9H3/t19-,21-,23?,24?,25-,30-,31-,32-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6.65E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Osaka University of Pharmaceutical Sciences
Curated by ChEMBL
| Assay Description
Inhibitory concentration against human DNA topoisomerase II |
Bioorg Med Chem Lett 15: 2966-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.052
BindingDB Entry DOI: 10.7270/Q2NZ8BDQ |
More data for this
Ligand-Target Pair | |
DNA topoisomerase 2-alpha/2-beta
(Homo sapiens (Human)) | BDBM50474908
(CHEMBL191001)Show SMILES [H][C@@]1(CC[C@]2(C)C3CCC4C(C)(C)C(=O)C(=C[C@]4(C)C3=CC[C@]12C)C#N)[C@H](C)CC[C@@H](O)C(C)(C)O |c:15,21| Show InChI InChI=1S/C31H47NO3/c1-19(9-12-25(33)28(4,5)35)21-13-15-31(8)23-10-11-24-27(2,3)26(34)20(18-32)17-29(24,6)22(23)14-16-30(21,31)7/h14,17,19,21,23-25,33,35H,9-13,15-16H2,1-8H3/t19-,21-,23?,24?,25-,29-,30-,31-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8.32E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Osaka University of Pharmaceutical Sciences
Curated by ChEMBL
| Assay Description
Inhibitory concentration against human DNA topoisomerase II |
Bioorg Med Chem Lett 15: 2966-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.052
BindingDB Entry DOI: 10.7270/Q2NZ8BDQ |
More data for this
Ligand-Target Pair | |
DNA topoisomerase 2-alpha/2-beta
(Homo sapiens (Human)) | BDBM50474903
(CHEMBL193002)Show SMILES [H][C@@]1(CC[C@]2(C)C3CCC4C(C)(C)C(=O)C(Cl)=C[C@]4(C)C3=CC[C@]12C)[C@H](C)CC[C@@H](O)C(C)(C)O |c:16,22| Show InChI InChI=1S/C30H47ClO3/c1-18(9-12-24(32)27(4,5)34)19-13-15-30(8)21-10-11-23-26(2,3)25(33)22(31)17-28(23,6)20(21)14-16-29(19,30)7/h14,17-19,21,23-24,32,34H,9-13,15-16H2,1-8H3/t18-,19-,21?,23?,24-,28-,29-,30-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.07E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Osaka University of Pharmaceutical Sciences
Curated by ChEMBL
| Assay Description
Inhibitory concentration against human DNA topoisomerase II |
Bioorg Med Chem Lett 15: 2966-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.052
BindingDB Entry DOI: 10.7270/Q2NZ8BDQ |
More data for this
Ligand-Target Pair | |
DNA topoisomerase 2-alpha/2-beta
(Homo sapiens (Human)) | BDBM50474906
(CHEMBL190841)Show SMILES [H][C@@]1(CC[C@]2(C)C3CCC4C(C)(C)C(=O)C=C[C@]4(C)C3=CC[C@]12C)[C@H](C)CC[C@@H](O)C(C)(C)O |c:15,21| Show InChI InChI=1S/C30H48O3/c1-19(9-12-25(32)27(4,5)33)20-13-17-30(8)22-10-11-23-26(2,3)24(31)15-16-28(23,6)21(22)14-18-29(20,30)7/h14-16,19-20,22-23,25,32-33H,9-13,17-18H2,1-8H3/t19-,20-,22?,23?,25-,28-,29-,30-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.50E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Osaka University of Pharmaceutical Sciences
Curated by ChEMBL
| Assay Description
Inhibitory concentration against human DNA topoisomerase II |
Bioorg Med Chem Lett 15: 2966-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.052
BindingDB Entry DOI: 10.7270/Q2NZ8BDQ |
More data for this
Ligand-Target Pair | |
Search and Browse
