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PubMed code 25768706

Compile data set for download or QSAR
Found 6 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)
BDBM50012278
PNG
((2ALPHA,2''BETA,3BETA,4ALPHA,5BETA)-VINCALEUKOBLAS...)
Show SMILES CC[C@]1(O)C[C@@H]2CN(C1)CCc1c([nH]c3ccccc13)[C@@](C2)(C(=O)OC)c1cc2c(cc1OC)N(C)[C@@H]1[C@]22CCN3CC=C[C@](CC)([C@@H]23)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC |r,c:48|
Show InChI InChI=1S/C46H58N4O9/c1-8-42(54)23-28-24-45(40(52)57-6,36-30(15-19-49(25-28)26-42)29-13-10-11-14-33(29)47-36)32-21-31-34(22-35(32)56-5)48(4)38-44(31)17-20-50-18-12-16-43(9-2,37(44)50)39(59-27(3)51)46(38,55)41(53)58-7/h10-14,16,21-22,28,37-39,47,54-55H,8-9,15,17-20,23-26H2,1-7H3/t28-,37-,38+,39+,42-,43+,44+,45-,46-/m0/s1
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Article
PubMed
n/an/a 600n/an/an/an/an/an/a



Special Design and Construction Bureau SDCB"Technolog"

Curated by ChEMBL


Assay Description
Inhibition of bovine tubulin polymerization by turbidity assay


Eur J Med Chem 94: 237-51 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.051
BindingDB Entry DOI: 10.7270/Q2FN17XK
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50081640
PNG
(CHEMBL3422133)
Show SMILES Nc1nonc1-c1nc2ccccc2n1Cc1cccc(Br)c1
Show InChI InChI=1S/C16H12BrN5O/c17-11-5-3-4-10(8-11)9-22-13-7-2-1-6-12(13)19-16(22)14-15(18)21-23-20-14/h1-8H,9H2,(H2,18,21)
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n/an/a 2.04E+3n/an/an/an/an/an/a



Special Design and Construction Bureau SDCB"Technolog"

Curated by ChEMBL


Assay Description
Inhibition of bovine tubulin polymerization by turbidity assay


Eur J Med Chem 94: 237-51 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.051
BindingDB Entry DOI: 10.7270/Q2FN17XK
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50081638
PNG
(CHEMBL3422152)
Show SMILES Nc1nonc1-c1nc2ccccc2n1Cc1cccc2ccccc12
Show InChI InChI=1S/C20H15N5O/c21-19-18(23-26-24-19)20-22-16-10-3-4-11-17(16)25(20)12-14-8-5-7-13-6-1-2-9-15(13)14/h1-11H,12H2,(H2,21,24)
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PubMed
n/an/a 7.03E+3n/an/an/an/an/an/a



Special Design and Construction Bureau SDCB"Technolog"

Curated by ChEMBL


Assay Description
Inhibition of bovine tubulin polymerization by turbidity assay


Eur J Med Chem 94: 237-51 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.051
BindingDB Entry DOI: 10.7270/Q2FN17XK
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50081637
PNG
(CHEMBL3422177)
Show SMILES Nc1nonc1-c1nc2ccccc2n1CC(=O)Nc1ccccc1Cl
Show InChI InChI=1S/C17H13ClN6O2/c18-10-5-1-2-6-11(10)20-14(25)9-24-13-8-4-3-7-12(13)21-17(24)15-16(19)23-26-22-15/h1-8H,9H2,(H2,19,23)(H,20,25)
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n/an/a 7.36E+3n/an/an/an/an/an/a



Special Design and Construction Bureau SDCB"Technolog"

Curated by ChEMBL


Assay Description
Inhibition of bovine tubulin polymerization by turbidity assay


Eur J Med Chem 94: 237-51 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.051
BindingDB Entry DOI: 10.7270/Q2FN17XK
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50081641
PNG
(CHEMBL3422131)
Show SMILES Nc1nonc1-c1nc2ccccc2n1Cc1cccc(F)c1
Show InChI InChI=1S/C16H12FN5O/c17-11-5-3-4-10(8-11)9-22-13-7-2-1-6-12(13)19-16(22)14-15(18)21-23-20-14/h1-8H,9H2,(H2,18,21)
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PubMed
n/an/a 7.90E+3n/an/an/an/an/an/a



Special Design and Construction Bureau SDCB"Technolog"

Curated by ChEMBL


Assay Description
Inhibition of bovine tubulin polymerization by turbidity assay


Eur J Med Chem 94: 237-51 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.051
BindingDB Entry DOI: 10.7270/Q2FN17XK
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50081639
PNG
(CHEMBL3422134)
Show SMILES Nc1nonc1-c1nc2ccccc2n1Cc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C17H12F3N5O/c18-17(19,20)11-5-3-4-10(8-11)9-25-13-7-2-1-6-12(13)22-16(25)14-15(21)24-26-23-14/h1-8H,9H2,(H2,21,24)
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PubMed
n/an/a 1.33E+4n/an/an/an/an/an/a



Special Design and Construction Bureau SDCB"Technolog"

Curated by ChEMBL


Assay Description
Inhibition of bovine tubulin polymerization by turbidity assay


Eur J Med Chem 94: 237-51 (2015)


Article DOI: 10.1016/j.ejmech.2015.02.051
BindingDB Entry DOI: 10.7270/Q2FN17XK
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%