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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Beta tubulin' and Ligand = 'BDBM50005480'   
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
Beta tubulin


(Leishmania donovani)
BDBM50005480
PNG
((-)-combretastatin | (Z)-3'-hydroxy-3,4,4',5-tetra...)
Show SMILES COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc1O
Show InChI InChI=1S/C18H20O5/c1-20-15-8-7-12(9-14(15)19)5-6-13-10-16(21-2)18(23-4)17(11-13)22-3/h5-11,19H,1-4H3/b6-5-
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CHEMBL
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
n/an/a 1.90E+3n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization interacting at the colchicine binding site.


Bioorg Med Chem Lett 15: 1051-4 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.026
BindingDB Entry DOI: 10.7270/Q22Z151S
More data for this
Ligand-Target Pair
Beta tubulin


(Leishmania donovani)
BDBM50005480
PNG
((-)-combretastatin | (Z)-3'-hydroxy-3,4,4',5-tetra...)
Show SMILES COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc1O
Show InChI InChI=1S/C18H20O5/c1-20-15-8-7-12(9-14(15)19)5-6-13-10-16(21-2)18(23-4)17(11-13)22-3/h5-11,19H,1-4H3/b6-5-
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



Universitá di Ferrara

Curated by ChEMBL


Assay Description
Concentration required to inhibit tubulin polymerization at 10 uM


Bioorg Med Chem Lett 15: 4048-52 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.022
BindingDB Entry DOI: 10.7270/Q2XP74GG
More data for this
Ligand-Target Pair