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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Topoiomerase 1B' AND taxid = 10280   
Target
(Institution)
LigandTarget
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
Topoiomerase 1B


(Molluscum contagiosum virus subtype 1)
BDBM50088251
PNG
(4,4',7,7'-tetrabromo-3,3,3',3'-tetramethyl-1,1'-sp...)
Show SMILES CC1(C)CC2(CC(C)(C)c3c2c(Br)c(O)c(O)c3Br)c2c1c(Br)c(O)c(O)c2Br
Show InChI InChI=1S/C21H20Br4O4/c1-19(2)5-21(9-7(19)11(22)15(26)17(28)13(9)24)6-20(3,4)8-10(21)14(25)18(29)16(27)12(8)23/h26-29H,5-6H2,1-4H3
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
AffyNet 
PubMed
n/an/a 5.00E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
DNA cleavage and religation activity as inhibition of type 1B topoisomerase of molluscum contagiosum virus (MCV)


J Med Chem 43: 2031-9 (2000)

More data for this
Ligand-Target Pair
Topoiomerase 1B


(Molluscum contagiosum virus subtype 1)
BDBM50088252
PNG
(3,3,3',3'-tetramethyl-1,1'-spirobi(indan)-4,4',7,7...)
Show SMILES CC1(C)CC2(CC(C)(C)c3c2c(Br)c(OS([O-])(=O)=O)c(OS([O-])(=O)=O)c3Br)c2c1c(Br)c(OS([O-])(=O)=O)c(OS([O-])(=O)=O)c2Br
Show InChI InChI=1S/C21H20Br4O16S4/c1-19(2)5-21(9-7(19)11(22)15(38-42(26,27)28)17(13(9)24)40-44(32,33)34)6-20(3,4)8-10(21)14(25)18(41-45(35,36)37)16(12(8)23)39-43(29,30)31/h5-6H2,1-4H3,(H,26,27,28)(H,29,30,31)(H,32,33,34)(H,35,36,37)/p-4
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
AffyNet 
PubMed
n/an/a 7.50E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
DNA cleavage and religation activity as inhibition of type 1B topoisomerase of molluscum contagiosum virus (MCV)


J Med Chem 43: 2031-9 (2000)

More data for this
Ligand-Target Pair