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PubMed code 26852340

Compile data set for download or QSAR
Found 10 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)
BDBM50147584
PNG
(CHEMBL2022434)
Show SMILES COc1ccc2C(=CCCc2c1N)c1cc(OC)c(OC)c(OC)c1 |c:6|
Show InChI InChI=1S/C20H23NO4/c1-22-16-9-8-14-13(6-5-7-15(14)19(16)21)12-10-17(23-2)20(25-4)18(11-12)24-3/h6,8-11H,5,7,21H2,1-4H3
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PubMed
n/an/a 620n/an/an/an/an/an/a



Baylor University

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin polymerization preincubated for 15 mins by spectrophotometric analysis


Bioorg Med Chem 24: 938-56 (2016)


Article DOI: 10.1016/j.bmc.2016.01.007
BindingDB Entry DOI: 10.7270/Q24Q7WVQ
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50147364
PNG
(CHEMBL217041)
Show SMILES COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)c(N)c1
Show InChI InChI=1S/C18H21NO4/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,19H2,1-4H3/b6-5-
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n/an/a 1.10E+3n/an/an/an/an/an/a



Baylor University

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin polymerization preincubated for 15 mins by spectrophotometric analysis


Bioorg Med Chem 24: 938-56 (2016)


Article DOI: 10.1016/j.bmc.2016.01.007
BindingDB Entry DOI: 10.7270/Q24Q7WVQ
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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PubMed
n/an/a 1.20E+3n/an/an/an/an/an/a



Baylor University

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin polymerization preincubated for 15 mins by spectrophotometric analysis


Bioorg Med Chem 24: 938-56 (2016)


Article DOI: 10.1016/j.bmc.2016.01.007
BindingDB Entry DOI: 10.7270/Q24Q7WVQ
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50147362
PNG
(CHEMBL330407 | ST-3100)
Show SMILES COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc1N
Show InChI InChI=1S/C18H21NO4/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/h5-11H,19H2,1-4H3/b6-5-
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n/an/a 1.20E+3n/an/an/an/an/an/a



Baylor University

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin polymerization preincubated for 15 mins by spectrophotometric analysis


Bioorg Med Chem 24: 938-56 (2016)


Article DOI: 10.1016/j.bmc.2016.01.007
BindingDB Entry DOI: 10.7270/Q24Q7WVQ
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50147588
PNG
(CHEMBL3087395)
Show SMILES COc1ccc2c(CCCC=C2c2cc(OC)c(OC)c(OC)c2)c1N |c:10|
Show InChI InChI=1S/C21H25NO4/c1-23-17-10-9-15-14(7-5-6-8-16(15)20(17)22)13-11-18(24-2)21(26-4)19(12-13)25-3/h7,9-12H,5-6,8,22H2,1-4H3
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UniProtKB/TrEMBL

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n/an/a 1.30E+3n/an/an/an/an/an/a



Baylor University

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin polymerization preincubated for 15 mins by spectrophotometric analysis


Bioorg Med Chem 24: 938-56 (2016)


Article DOI: 10.1016/j.bmc.2016.01.007
BindingDB Entry DOI: 10.7270/Q24Q7WVQ
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50147365
PNG
(CHEMBL256278)
Show SMILES COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)c(N)c1N
Show InChI InChI=1S/C18H22N2O4/c1-21-13-8-7-12(16(19)17(13)20)6-5-11-9-14(22-2)18(24-4)15(10-11)23-3/h5-10H,19-20H2,1-4H3/b6-5-
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UniProtKB/TrEMBL

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PC sid
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PubMed
n/an/a 1.50E+3n/an/an/an/an/an/a



Baylor University

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin polymerization preincubated for 15 mins by spectrophotometric analysis


Bioorg Med Chem 24: 938-56 (2016)


Article DOI: 10.1016/j.bmc.2016.01.007
BindingDB Entry DOI: 10.7270/Q24Q7WVQ
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50147365
PNG
(CHEMBL256278)
Show SMILES COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)c(N)c1N
Show InChI InChI=1S/C18H22N2O4/c1-21-13-8-7-12(16(19)17(13)20)6-5-11-9-14(22-2)18(24-4)15(10-11)23-3/h5-10H,19-20H2,1-4H3/b6-5-
PDB

UniProtKB/TrEMBL

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PC sid
UniChem

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Article
PubMed
n/an/a 2.30E+3n/an/an/an/an/an/a



Baylor University

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin polymerization preincubated for 15 mins by spectrophotometric analysis


Bioorg Med Chem 24: 938-56 (2016)


Article DOI: 10.1016/j.bmc.2016.01.007
BindingDB Entry DOI: 10.7270/Q24Q7WVQ
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50147364
PNG
(CHEMBL217041)
Show SMILES COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)c(N)c1
Show InChI InChI=1S/C18H21NO4/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,19H2,1-4H3/b6-5-
PDB

UniProtKB/TrEMBL

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PC sid
UniChem

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Article
PubMed
n/an/a 2.50E+3n/an/an/an/an/an/a



Baylor University

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin polymerization preincubated for 15 mins by spectrophotometric analysis


Bioorg Med Chem 24: 938-56 (2016)


Article DOI: 10.1016/j.bmc.2016.01.007
BindingDB Entry DOI: 10.7270/Q24Q7WVQ
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50147363
PNG
(CHEMBL572284)
Show SMILES COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)[C@@H](N)CO |r|
Show InChI InChI=1S/C21H26N2O6/c1-26-17-8-7-13(9-16(17)23-21(25)15(22)12-24)5-6-14-10-18(27-2)20(29-4)19(11-14)28-3/h5-11,15,24H,12,22H2,1-4H3,(H,23,25)/b6-5-/t15-/m0/s1
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CHEMBL
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Article
PubMed
n/an/a 1.30E+4n/an/an/an/an/an/a



Baylor University

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin polymerization preincubated for 15 mins by spectrophotometric analysis


Bioorg Med Chem 24: 938-56 (2016)


Article DOI: 10.1016/j.bmc.2016.01.007
BindingDB Entry DOI: 10.7270/Q24Q7WVQ
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50147363
PNG
(CHEMBL572284)
Show SMILES COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)[C@@H](N)CO |r|
Show InChI InChI=1S/C21H26N2O6/c1-26-17-8-7-13(9-16(17)23-21(25)15(22)12-24)5-6-14-10-18(27-2)20(29-4)19(11-14)28-3/h5-11,15,24H,12,22H2,1-4H3,(H,23,25)/b6-5-/t15-/m0/s1
PDB

UniProtKB/TrEMBL

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CHEMBL
MCE
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Article
PubMed
n/an/a 1.40E+4n/an/an/an/an/an/a



Baylor University

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin polymerization preincubated for 15 mins by spectrophotometric analysis


Bioorg Med Chem 24: 938-56 (2016)


Article DOI: 10.1016/j.bmc.2016.01.007
BindingDB Entry DOI: 10.7270/Q24Q7WVQ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%