Found 5 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
(Homo sapiens (Human)) | BDBM50400785
(CHEMBL449350)Show SMILES CC(C)C(=C)CCC([C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC[C@]12C)C(O)=O |c:28,t:13| Show InChI InChI=1S/C31H46O3/c1-19(2)20(3)9-10-21(27(33)34)22-13-17-31(8)24-11-12-25-28(4,5)26(32)15-16-29(25,6)23(24)14-18-30(22,31)7/h11,14,19,21-22,25H,3,9-10,12-13,15-18H2,1-2,4-8H3,(H,33,34)/t21?,22-,25+,29-,30-,31+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of topoisomerase 2 |
J Nat Prod 75: 2016-2044 (2012)
Article DOI: 10.1021/np300412h
BindingDB Entry DOI: 10.7270/Q2HX1DTP |
More data for this
Ligand-Target Pair | |
DNA topoisomerase 2-alpha
(Homo sapiens (Human)) | BDBM50356920
(CHEMBL1915761)Show SMILES [#6]-[#6@H](-[#6]-[#6]\[#6]=[#6](/[#6]-[#8])-[#6]-[#8])-[#6@H]1-[#6]-[#6][C@@]2([#6])[#6]-3=[#6]-[#6]-[#6@H]4C([#6])([#6])[#6](=O)-[#6]-[#6][C@]4([#6])[#6]-3=[#6]-[#6][C@]12[#6] |r,c:30,t:15| Show InChI InChI=1S/C30H46O3/c1-20(8-7-9-21(18-31)19-32)22-12-16-30(6)24-10-11-25-27(2,3)26(33)14-15-28(25,4)23(24)13-17-29(22,30)5/h9-10,13,20,22,25,31-32H,7-8,11-12,14-19H2,1-6H3/t20-,22-,25+,28-,29-,30+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of topoisomerase 2 |
J Nat Prod 75: 2016-2044 (2012)
Article DOI: 10.1021/np300412h
BindingDB Entry DOI: 10.7270/Q2HX1DTP |
More data for this
Ligand-Target Pair | |
DNA topoisomerase 2-alpha
(Homo sapiens (Human)) | BDBM50400784
(CHEMBL2205004)Show SMILES C[C@H](CC\C=C(/C)C(O)=O)[C@H]1C[C@H](OC(C)=O)[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C |r,c:34,t:19| Show InChI InChI=1S/C32H48O5/c1-19(10-9-11-20(2)28(35)36)24-18-27(37-21(3)33)32(8)23-12-13-25-29(4,5)26(34)15-16-30(25,6)22(23)14-17-31(24,32)7/h11-12,14,19,24-27,34H,9-10,13,15-18H2,1-8H3,(H,35,36)/b20-11+/t19-,24-,25+,26+,27+,30-,31-,32-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of topoisomerase 2a in human HuH7 cells |
J Nat Prod 75: 2016-2044 (2012)
Article DOI: 10.1021/np300412h
BindingDB Entry DOI: 10.7270/Q2HX1DTP |
More data for this
Ligand-Target Pair | |
DNA topoisomerase 1
(Homo sapiens (Human)) | BDBM50400784
(CHEMBL2205004)Show SMILES C[C@H](CC\C=C(/C)C(O)=O)[C@H]1C[C@H](OC(C)=O)[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C |r,c:34,t:19| Show InChI InChI=1S/C32H48O5/c1-19(10-9-11-20(2)28(35)36)24-18-27(37-21(3)33)32(8)23-12-13-25-29(4,5)26(34)15-16-30(25,6)22(23)14-17-31(24,32)7/h11-12,14,19,24-27,34H,9-10,13,15-18H2,1-8H3,(H,35,36)/b20-11+/t19-,24-,25+,26+,27+,30-,31-,32-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of topoisomerase 1 in human HuH7 cells |
J Nat Prod 75: 2016-2044 (2012)
Article DOI: 10.1021/np300412h
BindingDB Entry DOI: 10.7270/Q2HX1DTP |
More data for this
Ligand-Target Pair | |
DNA topoisomerase 1
(Homo sapiens (Human)) | BDBM50356920
(CHEMBL1915761)Show SMILES [#6]-[#6@H](-[#6]-[#6]\[#6]=[#6](/[#6]-[#8])-[#6]-[#8])-[#6@H]1-[#6]-[#6][C@@]2([#6])[#6]-3=[#6]-[#6]-[#6@H]4C([#6])([#6])[#6](=O)-[#6]-[#6][C@]4([#6])[#6]-3=[#6]-[#6][C@]12[#6] |r,c:30,t:15| Show InChI InChI=1S/C30H46O3/c1-20(8-7-9-21(18-31)19-32)22-12-16-30(6)24-10-11-25-27(2,3)26(33)14-15-28(25,4)23(24)13-17-29(22,30)5/h9-10,13,20,22,25,31-32H,7-8,11-12,14-19H2,1-6H3/t20-,22-,25+,28-,29-,30+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.06E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of topoisomerase 1 |
J Nat Prod 75: 2016-2044 (2012)
Article DOI: 10.1021/np300412h
BindingDB Entry DOI: 10.7270/Q2HX1DTP |
More data for this
Ligand-Target Pair | |
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