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PubMed code 11294380

Compile data set for download or QSAR
Found 9 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 alpha-1A chain


(Sus scrofa (Pig))
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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PubMed
n/an/a 1.20E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit polymerization of tubulin


Bioorg Med Chem Lett 11: 871-4 (2001)


BindingDB Entry DOI: 10.7270/Q25X2867
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tubulin alpha-1A chain


(Sus scrofa (Pig))
BDBM50006677
PNG
(1,2,3-Trimethoxy-5-[(Z)-2-(4-methoxy-phenyl)-vinyl...)
Show SMILES COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc1
Show InChI InChI=1S/C18H20O4/c1-19-15-9-7-13(8-10-15)5-6-14-11-16(20-2)18(22-4)17(12-14)21-3/h5-12H,1-4H3/b6-5-
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n/an/a 1.30E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit polymerization of tubulin


Bioorg Med Chem Lett 11: 871-4 (2001)


BindingDB Entry DOI: 10.7270/Q25X2867
More data for this
Ligand-Target Pair
Tubulin alpha-1A chain


(Sus scrofa (Pig))
BDBM50098052
PNG
(3,4,5-Trimethoxy-benzenesulfonic acid 1-methyl-1H-...)
Show SMILES COc1cc(cc(OC)c1OC)S(=O)(=O)Oc1ccc2n(C)ccc2c1
Show InChI InChI=1S/C18H19NO6S/c1-19-8-7-12-9-13(5-6-15(12)19)25-26(20,21)14-10-16(22-2)18(24-4)17(11-14)23-3/h5-11H,1-4H3
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n/an/a 1.40E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit polymerization of tubulin


Bioorg Med Chem Lett 11: 871-4 (2001)


BindingDB Entry DOI: 10.7270/Q25X2867
More data for this
Ligand-Target Pair
Tubulin alpha-1A chain


(Sus scrofa (Pig))
BDBM50009565
PNG
(CHEMBL312992 | Dimethyl-{4-[(Z)-2-(3,4,5-trimethox...)
Show SMILES COc1cc(\C=C/c2ccc(cc2)N(C)C)cc(OC)c1OC
Show InChI InChI=1S/C19H23NO3/c1-20(2)16-10-8-14(9-11-16)6-7-15-12-17(21-3)19(23-5)18(13-15)22-4/h6-13H,1-5H3/b7-6-
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n/an/a 1.70E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit polymerization of tubulin


Bioorg Med Chem Lett 11: 871-4 (2001)


BindingDB Entry DOI: 10.7270/Q25X2867
More data for this
Ligand-Target Pair
Tubulin alpha-1A chain


(Sus scrofa (Pig))
BDBM50098051
PNG
(3,4,5-Trimethoxy-benzenesulfonic acid 1H-indol-5-y...)
Show SMILES COc1cc(cc(OC)c1OC)S(=O)(=O)Oc1ccc2[nH]ccc2c1
Show InChI InChI=1S/C17H17NO6S/c1-21-15-9-13(10-16(22-2)17(15)23-3)25(19,20)24-12-4-5-14-11(8-12)6-7-18-14/h4-10,18H,1-3H3
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n/an/a 6.60E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit polymerization of tubulin


Bioorg Med Chem Lett 11: 871-4 (2001)


BindingDB Entry DOI: 10.7270/Q25X2867
More data for this
Ligand-Target Pair
Tubulin alpha-1A chain


(Sus scrofa (Pig))
BDBM50098053
PNG
(3-Amino-4-methoxy-benzenesulfonic acid 3,4,5-trime...)
Show SMILES COc1ccc(cc1N)S(=O)(=O)Oc1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C16H19NO7S/c1-20-13-6-5-11(9-12(13)17)25(18,19)24-10-7-14(21-2)16(23-4)15(8-10)22-3/h5-9H,17H2,1-4H3
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n/an/a 6.70E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit polymerization of tubulin


Bioorg Med Chem Lett 11: 871-4 (2001)


BindingDB Entry DOI: 10.7270/Q25X2867
More data for this
Ligand-Target Pair
Tubulin alpha-1A chain


(Sus scrofa (Pig))
BDBM50098050
PNG
(4-Methoxy-benzenesulfonic acid 3,4,5-trimethoxy-ph...)
Show SMILES COc1ccc(cc1)S(=O)(=O)Oc1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C16H18O7S/c1-19-11-5-7-13(8-6-11)24(17,18)23-12-9-14(20-2)16(22-4)15(10-12)21-3/h5-10H,1-4H3
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PubMed
n/an/a 8.20E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit polymerization of tubulin


Bioorg Med Chem Lett 11: 871-4 (2001)


BindingDB Entry DOI: 10.7270/Q25X2867
More data for this
Ligand-Target Pair
Tubulin alpha-1A chain


(Sus scrofa (Pig))
BDBM50098049
PNG
(4-Dimethylamino-benzenesulfonic acid 3,4,5-trimeth...)
Show SMILES COc1cc(OS(=O)(=O)c2ccc(cc2)N(C)C)cc(OC)c1OC
Show InChI InChI=1S/C17H21NO6S/c1-18(2)12-6-8-14(9-7-12)25(19,20)24-13-10-15(21-3)17(23-5)16(11-13)22-4/h6-11H,1-5H3
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n/an/a 1.60E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit polymerization of tubulin


Bioorg Med Chem Lett 11: 871-4 (2001)


BindingDB Entry DOI: 10.7270/Q25X2867
More data for this
Ligand-Target Pair
Tubulin alpha-1A chain


(Sus scrofa (Pig))
BDBM50098057
PNG
(CHEMBL169800 | Toluene-4-sulfonic acid 3,4,5-trime...)
Show SMILES COc1cc(OS(=O)(=O)c2ccc(C)cc2)cc(OC)c1OC
Show InChI InChI=1S/C16H18O6S/c1-11-5-7-13(8-6-11)23(17,18)22-12-9-14(19-2)16(21-4)15(10-12)20-3/h5-10H,1-4H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Concentration required to inhibit polymerization of tubulin


Bioorg Med Chem Lett 11: 871-4 (2001)


BindingDB Entry DOI: 10.7270/Q25X2867
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%