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PubMed code 26418966

Compile data set for download or QSAR
Found 16 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/Tubulin beta-2B chain


(Bos taurus)		BDBM50125182
PNG
(CHEMBL3623606)
Show SMILES CCn1ccc2c1ccc1nc(cc(OC(=O)OCc3ccccc3)c21)-c1ccccc1
Show InChI InChI=1S/C27H22N2O3/c1-2-29-16-15-21-24(29)14-13-22-26(21)25(17-23(28-22)20-11-7-4-8-12-20)32-27(30)31-18-19-9-5-3-6-10-19/h3-17H,2,18H2,1H3
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n/an/a 740n/an/an/an/an/an/a



University of Padova

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin polymerization assessed as protein assembly after 20 mins by turbidimetric analysis

J Med Chem 58: 7991-8010 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00805
BindingDB Entry DOI: 10.7270/Q29G5PMG
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1/Tubulin beta-2B chain


(Bos taurus)		BDBM50125226
PNG
(CHEMBL3623611)
Show SMILES CCOC(=O)CCn1ccc2c1ccc1[nH]c(cc(=O)c21)-c1ccccc1
Show InChI InChI=1S/C22H20N2O3/c1-2-27-21(26)11-13-24-12-10-16-19(24)9-8-17-22(16)20(25)14-18(23-17)15-6-4-3-5-7-15/h3-10,12,14H,2,11,13H2,1H3,(H,23,25)
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n/an/a 750n/an/an/an/an/an/a



University of Padova

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin polymerization assessed as protein assembly after 20 mins by turbidimetric analysis

J Med Chem 58: 7991-8010 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00805
BindingDB Entry DOI: 10.7270/Q29G5PMG
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1/Tubulin beta-2B chain


(Bos taurus)		BDBM50125113
PNG
(CHEMBL3623600)
Show SMILES CCC(=O)n1ccc2c1ccc1[nH]c(cc(=O)c21)-c1ccccc1
Show InChI InChI=1S/C20H16N2O2/c1-2-19(24)22-11-10-14-17(22)9-8-15-20(14)18(23)12-16(21-15)13-6-4-3-5-7-13/h3-12H,2H2,1H3,(H,21,23)
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n/an/a 990n/an/an/an/an/an/a



University of Padova

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin polymerization assessed as protein assembly after 20 mins by turbidimetric analysis

J Med Chem 58: 7991-8010 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00805
BindingDB Entry DOI: 10.7270/Q29G5PMG
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1/Tubulin beta-2B chain


(Bos taurus)		BDBM50125114
PNG
(CHEMBL3623601)
Show SMILES O=C(C1CC1)n1ccc2c1ccc1[nH]c(cc(=O)c21)-c1ccccc1
Show InChI InChI=1S/C21H16N2O2/c24-19-12-17(13-4-2-1-3-5-13)22-16-8-9-18-15(20(16)19)10-11-23(18)21(25)14-6-7-14/h1-5,8-12,14H,6-7H2,(H,22,24)
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n/an/a 990n/an/an/an/an/an/a



University of Padova

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin polymerization assessed as protein assembly after 20 mins by turbidimetric analysis

J Med Chem 58: 7991-8010 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00805
BindingDB Entry DOI: 10.7270/Q29G5PMG
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1/Tubulin beta-2B chain


(Bos taurus)		BDBM50125184
PNG
(CHEMBL3623607)
Show SMILES OCCCn1ccc2c1ccc1[nH]c(cc(=O)c21)-c1ccccc1
Show InChI InChI=1S/C20H18N2O2/c23-12-4-10-22-11-9-15-18(22)8-7-16-20(15)19(24)13-17(21-16)14-5-2-1-3-6-14/h1-3,5-9,11,13,23H,4,10,12H2,(H,21,24)
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n/an/a 1.20E+3n/an/an/an/an/an/a



University of Padova

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin polymerization assessed as protein assembly after 20 mins by turbidimetric analysis

J Med Chem 58: 7991-8010 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00805
BindingDB Entry DOI: 10.7270/Q29G5PMG
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1/Tubulin beta-2B chain


(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 1.20E+3n/an/an/an/an/an/a



University of Padova

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin polymerization assessed as protein assembly after 20 mins by turbidimetric analysis

J Med Chem 58: 7991-8010 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00805
BindingDB Entry DOI: 10.7270/Q29G5PMG
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Similar to alpha-tubulin isoform 1/Tubulin beta-2B chain


(Bos taurus)		BDBM50125090
PNG
(CHEMBL3623597)
Show SMILES O=c1cc([nH]c2ccc3n(CCC#N)ccc3c12)-c1ccccc1
Show InChI InChI=1S/C20H15N3O/c21-10-4-11-23-12-9-15-18(23)8-7-16-20(15)19(24)13-17(22-16)14-5-2-1-3-6-14/h1-3,5-9,12-13H,4,11H2,(H,22,24)
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n/an/a 1.30E+3n/an/an/an/an/an/a



University of Padova

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin polymerization assessed as protein assembly after 20 mins by turbidimetric analysis

J Med Chem 58: 7991-8010 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00805
BindingDB Entry DOI: 10.7270/Q29G5PMG
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1/Tubulin beta-2B chain


(Bos taurus)		BDBM50125183
PNG
(CHEMBL3621230)
Show SMILES CCn1ccc2c1ccc1n(C)c(cc(=O)c21)-c1ccccc1
Show InChI InChI=1S/C20H18N2O/c1-3-22-12-11-15-16(22)9-10-17-20(15)19(23)13-18(21(17)2)14-7-5-4-6-8-14/h4-13H,3H2,1-2H3
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n/an/a 1.80E+3n/an/an/an/an/an/a



University of Padova

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin polymerization assessed as protein assembly after 20 mins by turbidimetric analysis

J Med Chem 58: 7991-8010 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00805
BindingDB Entry DOI: 10.7270/Q29G5PMG
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1/Tubulin beta-2B chain


(Bos taurus)		BDBM50125115
PNG
(CHEMBL3623602)
Show SMILES O=C(C1CC1)N1CCc2c1ccc1[nH]c(cc(=O)c21)-c1ccccc1
Show InChI InChI=1S/C21H18N2O2/c24-19-12-17(13-4-2-1-3-5-13)22-16-8-9-18-15(20(16)19)10-11-23(18)21(25)14-6-7-14/h1-5,8-9,12,14H,6-7,10-11H2,(H,22,24)
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n/an/a 2.60E+3n/an/an/an/an/an/a



University of Padova

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin polymerization assessed as protein assembly after 20 mins by turbidimetric analysis

J Med Chem 58: 7991-8010 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00805
BindingDB Entry DOI: 10.7270/Q29G5PMG
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1/Tubulin beta-2B chain


(Bos taurus)		BDBM50125088
PNG
(CHEMBL3623598)
Show SMILES OCCn1ccc2c1ccc1[nH]c(cc(=O)c21)-c1ccccc1
Show InChI InChI=1S/C19H16N2O2/c22-11-10-21-9-8-14-17(21)7-6-15-19(14)18(23)12-16(20-15)13-4-2-1-3-5-13/h1-9,12,22H,10-11H2,(H,20,23)
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n/an/a 2.90E+3n/an/an/an/an/an/a



University of Padova

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin polymerization assessed as protein assembly after 20 mins by turbidimetric analysis

J Med Chem 58: 7991-8010 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00805
BindingDB Entry DOI: 10.7270/Q29G5PMG
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1/Tubulin beta-2B chain


(Bos taurus)		BDBM50125181
PNG
(CHEMBL3623603)
Show SMILES CCn1ccc2c1ccc1nc(cc(OC)c21)-c1ccccc1
Show InChI InChI=1S/C20H18N2O/c1-3-22-12-11-15-18(22)10-9-16-20(15)19(23-2)13-17(21-16)14-7-5-4-6-8-14/h4-13H,3H2,1-2H3
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n/an/a 5.70E+3n/an/an/an/an/an/a



University of Padova

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin polymerization assessed as protein assembly after 20 mins by turbidimetric analysis

J Med Chem 58: 7991-8010 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00805
BindingDB Entry DOI: 10.7270/Q29G5PMG
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1/Tubulin beta-2B chain


(Bos taurus)		BDBM50125091
PNG
(CHEMBL3623596)
Show SMILES CCOC(=O)Cn1ccc2c1ccc1[nH]c(cc(=O)c21)-c1ccccc1
Show InChI InChI=1S/C21H18N2O3/c1-2-26-20(25)13-23-11-10-15-18(23)9-8-16-21(15)19(24)12-17(22-16)14-6-4-3-5-7-14/h3-12H,2,13H2,1H3,(H,22,24)
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n/an/a 6.60E+3n/an/an/an/an/an/a



University of Padova

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin polymerization assessed as protein assembly after 20 mins by turbidimetric analysis

J Med Chem 58: 7991-8010 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00805
BindingDB Entry DOI: 10.7270/Q29G5PMG
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1/Tubulin beta-2B chain


(Bos taurus)		BDBM50125185
PNG
(CHEMBL3623608)
Show SMILES OC(=O)CCn1ccc2c1ccc1[nH]c(cc(=O)c21)-c1ccccc1
Show InChI InChI=1S/C20H16N2O3/c23-18-12-16(13-4-2-1-3-5-13)21-15-6-7-17-14(20(15)18)8-10-22(17)11-9-19(24)25/h1-8,10,12H,9,11H2,(H,21,23)(H,24,25)
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n/an/a 8.00E+3n/an/an/an/an/an/a



University of Padova

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin polymerization assessed as protein assembly after 20 mins by turbidimetric analysis

J Med Chem 58: 7991-8010 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00805
BindingDB Entry DOI: 10.7270/Q29G5PMG
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1/Tubulin beta-2B chain


(Bos taurus)		BDBM50125186
PNG
(CHEMBL3623609)
Show SMILES OC(=O)Cn1ccc2c1ccc1[nH]c(cc(=O)c21)-c1ccccc1
Show InChI InChI=1S/C19H14N2O3/c22-17-10-15(12-4-2-1-3-5-12)20-14-6-7-16-13(19(14)17)8-9-21(16)11-18(23)24/h1-10H,11H2,(H,20,22)(H,23,24)
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n/an/a>2.00E+4n/an/an/an/an/an/a



University of Padova

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin polymerization assessed as protein assembly after 20 mins by turbidimetric analysis

J Med Chem 58: 7991-8010 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00805
BindingDB Entry DOI: 10.7270/Q29G5PMG
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1/Tubulin beta-2B chain


(Bos taurus)		BDBM50125193
PNG
(CHEMBL3623610)
Show SMILES Cl.NCCCn1ccc2c1ccc1nc(cc(O)c21)-c1ccccc1
Show InChI InChI=1S/C20H19N3O.ClH/c21-10-4-11-23-12-9-15-18(23)8-7-16-20(15)19(24)13-17(22-16)14-5-2-1-3-6-14;/h1-3,5-9,12-13H,4,10-11,21H2,(H,22,24);1H
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n/an/a>2.00E+4n/an/an/an/an/an/a



University of Padova

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin polymerization assessed as protein assembly after 20 mins by turbidimetric analysis

J Med Chem 58: 7991-8010 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00805
BindingDB Entry DOI: 10.7270/Q29G5PMG
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1/Tubulin beta-2B chain


(Bos taurus)		BDBM50125089
PNG
(CHEMBL3623599)
Show SMILES COc1ccc(cc1OC)-c1cc(=O)c2c3ccn(CC4CC4)c3ccc2[nH]1
Show InChI InChI=1S/C23H22N2O3/c1-27-21-8-5-15(11-22(21)28-2)18-12-20(26)23-16-9-10-25(13-14-3-4-14)19(16)7-6-17(23)24-18/h5-12,14H,3-4,13H2,1-2H3,(H,24,26)
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n/an/a>2.00E+4n/an/an/an/an/an/a



University of Padova

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin polymerization assessed as protein assembly after 20 mins by turbidimetric analysis

J Med Chem 58: 7991-8010 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00805
BindingDB Entry DOI: 10.7270/Q29G5PMG
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%