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PubMed code 1875350

Compile data set for download or QSAR
Found 20 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
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50009568
PNG
((Thiocolchicine)N-(1,2,3-Trimethoxy-10-methylsulfa...)
Show SMILES COc1cc2CC[C@H](NC(C)=O)c3cc(=O)c(SC)ccc3-c2c(OC)c1OC
Show InChI InChI=1S/C22H25NO5S/c1-12(24)23-16-8-6-13-10-18(26-2)21(27-3)22(28-4)20(13)14-7-9-19(29-5)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 1.40E+3n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Ability to inhibit Tubulin polymerization in Bovine brain


J Med Chem 34: 2579-88 (1991)


Article DOI: 10.1021/jm00112a036
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
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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n/an/a 1.90E+3n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Ability to inhibit Tubulin polymerization in Bovine brain


J Med Chem 34: 2579-88 (1991)


Article DOI: 10.1021/jm00112a036
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50035218
PNG
(CHEMBL61 | PODOFILOX | Podophyllinic acid lactone ...)
Show SMILES COc1cc(cc(OC)c1OC)[C@H]1[C@@H]2[C@H](COC2=O)[C@@H](O)c2cc3OCOc3cc12
Show InChI InChI=1S/C22H22O8/c1-25-16-4-10(5-17(26-2)21(16)27-3)18-11-6-14-15(30-9-29-14)7-12(11)20(23)13-8-28-22(24)19(13)18/h4-7,13,18-20,23H,8-9H2,1-3H3/t13-,18+,19-,20-/m0/s1
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n/an/a 2.10E+3n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Ability to inhibit Tubulin polymerization in Bovine brain


J Med Chem 34: 2579-88 (1991)


Article DOI: 10.1021/jm00112a036
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
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 2.20E+3n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Ability to inhibit Tubulin polymerization in Bovine brain


J Med Chem 34: 2579-88 (1991)


Article DOI: 10.1021/jm00112a036
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50229500
PNG
(CHEMBL86736)
Show SMILES COc1cc(\C=C/c2ccc(Br)cc2)cc(OC)c1OC
Show InChI InChI=1S/C17H17BrO3/c1-19-15-10-13(11-16(20-2)17(15)21-3)5-4-12-6-8-14(18)9-7-12/h4-11H,1-3H3/b5-4-
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n/an/a 3.10E+3n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Ability to inhibit Tubulin polymerization in Bovine brain


J Med Chem 34: 2579-88 (1991)


Article DOI: 10.1021/jm00112a036
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50005478
PNG
(2-Methoxy-5-[2-(3,4,5-trimethoxy-phenyl)-ethyl]-ph...)
Show SMILES COc1ccc(CCc2cc(OC)c(OC)c(OC)c2)cc1O
Show InChI InChI=1S/C18H22O5/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/h7-11,19H,5-6H2,1-4H3
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n/an/a 3.30E+3n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Ability to inhibit Tubulin polymerization in Bovine brain


J Med Chem 34: 2579-88 (1991)


Article DOI: 10.1021/jm00112a036
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
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 3.40E+3n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Ability to inhibit Tubulin polymerization in Bovine brain


J Med Chem 34: 2579-88 (1991)


Article DOI: 10.1021/jm00112a036
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50229498
PNG
(CHEMBL315717)
Show SMILES COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)c(Cl)c1
Show InChI InChI=1S/C18H19ClO4/c1-20-14-8-7-13(15(19)11-14)6-5-12-9-16(21-2)18(23-4)17(10-12)22-3/h5-11H,1-4H3/b6-5-
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n/an/a 3.50E+3n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Ability to inhibit Tubulin polymerization in Bovine brain


J Med Chem 34: 2579-88 (1991)


Article DOI: 10.1021/jm00112a036
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50229493
PNG
(CHEMBL315640)
Show SMILES COc1cc(\C=C/c2ccc(Cl)cc2)cc(OC)c1OC
Show InChI InChI=1S/C17H17ClO3/c1-19-15-10-13(11-16(20-2)17(15)21-3)5-4-12-6-8-14(18)9-7-12/h4-11H,1-3H3/b5-4-
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n/an/a 4.80E+3n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Ability to inhibit Tubulin polymerization in Bovine brain


J Med Chem 34: 2579-88 (1991)


Article DOI: 10.1021/jm00112a036
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50229496
PNG
(CHEMBL45348)
Show SMILES COc1ccc(CCc2cc(OC)c(OC)c(OC)c2)cc1
Show InChI InChI=1S/C18H22O4/c1-19-15-9-7-13(8-10-15)5-6-14-11-16(20-2)18(22-4)17(12-14)21-3/h7-12H,5-6H2,1-4H3
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n/an/a 7.90E+3n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Ability to inhibit Tubulin polymerization in Bovine brain


J Med Chem 34: 2579-88 (1991)


Article DOI: 10.1021/jm00112a036
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50229492
PNG
(CHEMBL315541)
Show SMILES COc1cccc(\C=C/c2cc(OC)c(OC)c(OC)c2)c1
Show InChI InChI=1S/C18H20O4/c1-19-15-7-5-6-13(10-15)8-9-14-11-16(20-2)18(22-4)17(12-14)21-3/h5-12H,1-4H3/b9-8-
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n/an/a 8.80E+3n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Ability to inhibit Tubulin polymerization in Bovine brain


J Med Chem 34: 2579-88 (1991)


Article DOI: 10.1021/jm00112a036
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50009562
PNG
((4-Methoxy-phenyl)-(3,4,5-trimethoxy-benzyl)-amine...)
Show SMILES COc1ccc(NCc2cc(OC)c(OC)c(OC)c2)cc1
Show InChI InChI=1S/C17H21NO4/c1-19-14-7-5-13(6-8-14)18-11-12-9-15(20-2)17(22-4)16(10-12)21-3/h5-10,18H,11H2,1-4H3
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n/an/a 2.30E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Ability to inhibit Tubulin polymerization in Bovine brain


J Med Chem 34: 2579-88 (1991)


Article DOI: 10.1021/jm00112a036
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50229494
PNG
(CHEMBL87209)
Show SMILES COc1cc(\C=C/c2ccc(OC(C)=O)cc2)cc(OC)c1OC
Show InChI InChI=1S/C19H20O5/c1-13(20)24-16-9-7-14(8-10-16)5-6-15-11-17(21-2)19(23-4)18(12-15)22-3/h5-12H,1-4H3/b6-5-
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n/an/a 2.90E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Ability to inhibit Tubulin polymerization in Bovine brain


J Med Chem 34: 2579-88 (1991)


Article DOI: 10.1021/jm00112a036
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50229490
PNG
(CHEMBL87250)
Show SMILES COc1ccc(NCc2cc(OC)cc(OC)c2)cc1
Show InChI InChI=1S/C16H19NO3/c1-18-14-6-4-13(5-7-14)17-11-12-8-15(19-2)10-16(9-12)20-3/h4-10,17H,11H2,1-3H3
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n/an/a 2.90E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Ability to inhibit Tubulin polymerization in Bovine brain


J Med Chem 34: 2579-88 (1991)


Article DOI: 10.1021/jm00112a036
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50229495
PNG
(CHEMBL314500)
Show SMILES COc1cc(CCc2ccc(cc2)N(C)C)cc(OC)c1OC
Show InChI InChI=1S/C19H25NO3/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/h8-13H,6-7H2,1-5H3
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n/an/a 2.90E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Ability to inhibit Tubulin polymerization in Bovine brain


J Med Chem 34: 2579-88 (1991)


Article DOI: 10.1021/jm00112a036
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50229501
PNG
(CHEMBL87162)
Show SMILES COc1cc(\C=C/c2ccccc2)cc(OC)c1OC
Show InChI InChI=1S/C17H18O3/c1-18-15-11-14(12-16(19-2)17(15)20-3)10-9-13-7-5-4-6-8-13/h4-12H,1-3H3/b10-9-
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n/an/a 3.60E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Ability to inhibit Tubulin polymerization in Bovine brain


J Med Chem 34: 2579-88 (1991)


Article DOI: 10.1021/jm00112a036
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50009561
PNG
((E)-5-(3,4,5-trimethoxystyryl)-2-methoxyphenol | 2...)
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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n/an/a>5.00E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Ability to inhibit Tubulin polymerization in Bovine brain


J Med Chem 34: 2579-88 (1991)


Article DOI: 10.1021/jm00112a036
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50229499
PNG
(CHEMBL87353)
Show SMILES COc1ccc(CNc2cc(OC)c(OC)c(OC)c2)cc1
Show InChI InChI=1S/C17H21NO4/c1-19-14-7-5-12(6-8-14)11-18-13-9-15(20-2)17(22-4)16(10-13)21-3/h5-10,18H,11H2,1-4H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Ability to inhibit Tubulin polymerization in Bovine brain


J Med Chem 34: 2579-88 (1991)


Article DOI: 10.1021/jm00112a036
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50229491
PNG
((E)-3,4,5,4''-Tetramethoxystilbene | 10E-3,4,4'',5...)
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>5.00E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Ability to inhibit Tubulin polymerization in Bovine brain


J Med Chem 34: 2579-88 (1991)


Article DOI: 10.1021/jm00112a036
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50229497
PNG
(CHEMBL89291)
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>5.00E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Ability to inhibit Tubulin polymerization in Bovine brain


J Med Chem 34: 2579-88 (1991)


Article DOI: 10.1021/jm00112a036
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%