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PubMed code 1324981

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
DNA topoisomerase 1


(Homo sapiens (Human))		BDBM50250996
PNG
(CHEMBL525240 | TANNIN | chebulagic acid | chebulan...)
Show SMILES O[C@H]1[C@H]2[C@H](CC(O)=O)C(=O)O[C@@H]3[C@H]4COC(=O)c5cc(c(O)c(O)c5O)-c5c(O)c(O)c(O)cc5C(=O)O[C@@H]3[C@@H](OC(=O)c3cc(O)c(O)c(OC1=O)c23)[C@H](OC(=O)c1cc(O)c(O)c(O)c1)O4 |r|
Show InChI InChI=1S/C41H30O27/c42-14-1-8(2-15(43)25(14)50)35(56)68-41-34-33-31(64-39(60)12(6-19(46)47)21-22-11(38(59)67-34)5-17(45)27(52)32(22)65-40(61)29(21)54)18(63-41)7-62-36(57)13-3-9(23(48)30(55)24(13)49)20-10(37(58)66-33)4-16(44)26(51)28(20)53/h1-5,12,18,21,29,31,33-34,41-45,48-55H,6-7H2,(H,46,47)/t12-,18+,21-,29-,31+,33-,34+,41-/m0/s1
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n/an/a 50n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human COLO201 cellular topoisomerase-1 mediated plasmid DNA cleavage by electrophoresis in presence of 14 units of enzyme

J Nat Prod 55: 401-413 (1992)


Article DOI: 10.1021/np50082a001
BindingDB Entry DOI: 10.7270/Q2542NNP
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Homo sapiens (Human))		BDBM50250996
PNG
(CHEMBL525240 | TANNIN | chebulagic acid | chebulan...)
Show SMILES O[C@H]1[C@H]2[C@H](CC(O)=O)C(=O)O[C@@H]3[C@H]4COC(=O)c5cc(c(O)c(O)c5O)-c5c(O)c(O)c(O)cc5C(=O)O[C@@H]3[C@@H](OC(=O)c3cc(O)c(O)c(OC1=O)c23)[C@H](OC(=O)c1cc(O)c(O)c(O)c1)O4 |r|
Show InChI InChI=1S/C41H30O27/c42-14-1-8(2-15(43)25(14)50)35(56)68-41-34-33-31(64-39(60)12(6-19(46)47)21-22-11(38(59)67-34)5-17(45)27(52)32(22)65-40(61)29(21)54)18(63-41)7-62-36(57)13-3-9(23(48)30(55)24(13)49)20-10(37(58)66-33)4-16(44)26(51)28(20)53/h1-5,12,18,21,29,31,33-34,41-45,48-55H,6-7H2,(H,46,47)/t12-,18+,21-,29-,31+,33-,34+,41-/m0/s1
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n/an/a 100n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human COLO201 cellular topoisomerase-1 mediated plasmid DNA cleavage by electrophoresis in presence of 70 units of enzyme

J Nat Prod 55: 401-413 (1992)


Article DOI: 10.1021/np50082a001
BindingDB Entry DOI: 10.7270/Q2542NNP
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Homo sapiens (Human))		BDBM50242279
PNG
(6,7,8,11,12,13,22,23-octahydroxy-3,16-dioxo-21-(3,...)
Show SMILES O[C@@H]1[C@H]2COC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c(O)cc3C(=O)O[C@@H]1[C@@H](O)[C@H](OC(=O)c1cc(O)c(O)c(O)c1)O2 |r|
Show InChI InChI=1S/C27H22O18/c28-9-1-6(2-10(29)16(9)32)24(39)45-27-22(38)23-19(35)13(43-27)5-42-25(40)7-3-11(30)17(33)20(36)14(7)15-8(26(41)44-23)4-12(31)18(34)21(15)37/h1-4,13,19,22-23,27-38H,5H2/t13-,19-,22-,23+,27+/m1/s1
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n/an/a 4.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human COLO201 cellular topoisomerase-1 mediated plasmid DNA cleavage by electrophoresis in presence of 70 units of enzyme

J Nat Prod 55: 401-413 (1992)


Article DOI: 10.1021/np50082a001
BindingDB Entry DOI: 10.7270/Q2542NNP
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%