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PubMed code 26927488

Compile data set for download or QSAR
Found 4 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
Tubulin beta chain


(Sus scrofa)
BDBM50152675
PNG
(CHEMBL3780099)
Show SMILES COc1ccc(CNc2c(nc3ccc(F)cn23)-c2ccccc2O)cc1
Show InChI InChI=1S/C21H18FN3O2/c1-27-16-9-6-14(7-10-16)12-23-21-20(17-4-2-3-5-18(17)26)24-19-11-8-15(22)13-25(19)21/h2-11,13,23,26H,12H2,1H3
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PubMed
n/an/a 3.41E+3n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of porcine tubulin polymerization by UV-Vis microplate reader analysis


Eur J Med Chem 112: 367-72 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.004
BindingDB Entry DOI: 10.7270/Q2ZK5JHD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tubulin beta chain


(Sus scrofa)
BDBM50014846
PNG
((S)-N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-...)
Show SMILES COc1cc2CC[C@H](NC(C)=O)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC |r|
Show InChI InChI=1S/C22H25NO6/c1-12(24)23-16-8-6-13-10-19(27-3)21(28-4)22(29-5)20(13)14-7-9-18(26-2)17(25)11-15(14)16/h7,9-11,16H,6,8H2,1-5H3,(H,23,24)/t16-/m0/s1
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n/an/a 3.79E+3n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of porcine tubulin polymerization by UV-Vis microplate reader analysis


Eur J Med Chem 112: 367-72 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.004
BindingDB Entry DOI: 10.7270/Q2ZK5JHD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tubulin beta chain


(Sus scrofa)
BDBM50152676
PNG
(CHEMBL3780828)
Show SMILES COc1ccc(CNc2c(nc3ccccn23)-c2ccccc2O)cc1
Show InChI InChI=1S/C21H19N3O2/c1-26-16-11-9-15(10-12-16)14-22-21-20(17-6-2-3-7-18(17)25)23-19-8-4-5-13-24(19)21/h2-13,22,25H,14H2,1H3
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n/an/a 4.35E+3n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of porcine tubulin polymerization by UV-Vis microplate reader analysis


Eur J Med Chem 112: 367-72 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.004
BindingDB Entry DOI: 10.7270/Q2ZK5JHD
More data for this
Ligand-Target Pair
Tubulin beta chain


(Sus scrofa)
BDBM50152677
PNG
(CHEMBL3780715)
Show SMILES COc1ccc(CNc2c(nc3cnccn23)-c2ccccc2O)cc1
Show InChI InChI=1S/C20H18N4O2/c1-26-15-8-6-14(7-9-15)12-22-20-19(16-4-2-3-5-17(16)25)23-18-13-21-10-11-24(18)20/h2-11,13,22,25H,12H2,1H3
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n/an/a 7.16E+3n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Inhibition of porcine tubulin polymerization by UV-Vis microplate reader analysis


Eur J Med Chem 112: 367-72 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.004
BindingDB Entry DOI: 10.7270/Q2ZK5JHD
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%