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PubMed code 8765520

Compile data set for download or QSAR
Found 3 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Topoisomerase II alpha (HuTopoIIα)


(Homo sapiens (Human))
BDBM50369152
PNG
(CHEMBL1627911)
Show SMILES Cc1c2CN(C=Cc2c(C)c2[nH]c3ccccc3c12)C(=O)NCCCCCCNC(=O)C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C
Show InChI InChI=1S/C44H54N4O4/c1-27-36-26-48(23-18-31(36)28(2)41-40(27)35-10-6-7-11-38(35)47-41)42(51)46-22-9-5-4-8-21-45-39(50)25-44(52)20-17-37-34-14-12-29-24-30(49)13-15-32(29)33(34)16-19-43(37,44)3/h6-7,10-11,13,15,18,23-24,33-34,37,47,49,52H,4-5,8-9,12,14,16-17,19-22,25-26H2,1-3H3,(H,45,50)(H,46,51)/t33-,34-,37+,43+,44-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.41E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibitory activity against topoisomerase II determined in catenation inhibition assay


J Med Chem 39: 3367-74 (1996)


Article DOI: 10.1021/jm9602930
BindingDB Entry DOI: 10.7270/Q2736RKT
More data for this
Ligand-Target Pair
Topoisomerase II alpha (HuTopoIIα)


(Homo sapiens (Human))
BDBM50369153
PNG
(CHEMBL1628076)
Show SMILES Cc1c2n(CC(=O)NCCCCCCNC(=O)C[C@]3(O)CC[C@H]4[C@@H]5CCc6cc(O)ccc6[C@H]5CC[C@]34C)c3ccccc3c2c(C)c2cnccc12
Show InChI InChI=1S/C45H54N4O4/c1-28-37-26-46-23-18-32(37)29(2)43-42(28)36-10-6-7-11-39(36)49(43)27-41(52)48-22-9-5-4-8-21-47-40(51)25-45(53)20-17-38-35-14-12-30-24-31(50)13-15-33(30)34(35)16-19-44(38,45)3/h6-7,10-11,13,15,18,23-24,26,34-35,38,50,53H,4-5,8-9,12,14,16-17,19-22,25,27H2,1-3H3,(H,47,51)(H,48,52)/t34-,35-,38+,44+,45-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>2.00E+5n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibitory activity against topoisomerase II determined in catenation inhibition assay


J Med Chem 39: 3367-74 (1996)


Article DOI: 10.1021/jm9602930
BindingDB Entry DOI: 10.7270/Q2736RKT
More data for this
Ligand-Target Pair
Topoisomerase II alpha (HuTopoIIα)


(Homo sapiens (Human))
BDBM50369151
PNG
(CHEMBL1627914)
Show SMILES Cc1c2[nH]c3ccc(cc3c2c(C)c2cnccc12)C(=O)NCCCCCCNC(=O)C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C
Show InChI InChI=1S/C44H52N4O4/c1-26-36-25-45-21-16-31(36)27(2)41-40(26)35-23-29(9-13-38(35)48-41)42(51)47-20-7-5-4-6-19-46-39(50)24-44(52)18-15-37-34-11-8-28-22-30(49)10-12-32(28)33(34)14-17-43(37,44)3/h9-10,12-13,16,21-23,25,33-34,37,48-49,52H,4-8,11,14-15,17-20,24H2,1-3H3,(H,46,50)(H,47,51)/t33-,34-,37+,43+,44-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>2.00E+5n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibitory activity against topoisomerase II determined in catenation inhibition assay


J Med Chem 39: 3367-74 (1996)


Article DOI: 10.1021/jm9602930
BindingDB Entry DOI: 10.7270/Q2736RKT
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%