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PubMed code 31059248

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)		BDBM50513145
PNG
(CHEMBL4559526)
Show SMILES COc1cc(cc(OC)c1OC)C1=CCCc2c1ccc(OC)c2C#N |t:13|
Show InChI InChI=1S/C21H21NO4/c1-23-18-9-8-16-14(6-5-7-15(16)17(18)12-22)13-10-19(24-2)21(26-4)20(11-13)25-3/h6,8-11H,5,7H2,1-4H3
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UniProtKB/TrEMBL

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n/an/a 370n/an/an/an/an/an/a



Baylor University

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin polymerization preincubated for 15 mins followed by GTP addition and measured for 20 mins by turbidimetry-based sp...

J Med Chem 62: 5594-5615 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00551
BindingDB Entry DOI: 10.7270/Q2MG7STZ
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)		BDBM50513135
PNG
(CHEMBL4474504)
Show SMILES COc1ccc2c(CCCC(Br)=C2c2cc(OC)c(OC)c(OC)c2)c1O |c:11|
Show InChI InChI=1S/C21H23BrO5/c1-24-16-9-8-13-14(20(16)23)6-5-7-15(22)19(13)12-10-17(25-2)21(27-4)18(11-12)26-3/h8-11,23H,5-7H2,1-4H3
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UniProtKB/TrEMBL

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Baylor University

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin polymerization preincubated for 15 mins followed by GTP addition and measured for 20 mins by turbidimetry-based sp...

J Med Chem 62: 5594-5615 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00551
BindingDB Entry DOI: 10.7270/Q2MG7STZ
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)		BDBM50513137
PNG
(CHEMBL3093134)
Show SMILES COc1ccc2c(CC=CC=C2c2cc(OC)c(OC)c(OC)c2)c1O |c:8,10|
Show InChI InChI=1S/C21H22O5/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/h5-7,9-12,22H,8H2,1-4H3
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UniProtKB/TrEMBL

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Baylor University

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin polymerization preincubated for 15 mins followed by GTP addition and measured for 20 mins by turbidimetry-based sp...

J Med Chem 62: 5594-5615 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00551
BindingDB Entry DOI: 10.7270/Q2MG7STZ
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)		BDBM50513140
PNG
(CHEMBL2022435)
Show SMILES COc1ccc2C(=CCCc2c1O)c1cc(OC)c(OC)c(OC)c1 |c:6|
Show InChI InChI=1S/C20H22O5/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/h6,8-11,21H,5,7H2,1-4H3
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Baylor University

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin polymerization preincubated for 15 mins followed by GTP addition and measured for 20 mins by turbidimetry-based sp...

J Med Chem 62: 5594-5615 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00551
BindingDB Entry DOI: 10.7270/Q2MG7STZ
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)		BDBM50513147
PNG
(CHEMBL4469572)
Show SMILES COc1ccc2c(CCCC=C2c2cc(OC)c(OC)c(OC)c2)c1CO |c:10|
Show InChI InChI=1S/C22H26O5/c1-24-19-10-9-17-15(7-5-6-8-16(17)18(19)13-23)14-11-20(25-2)22(27-4)21(12-14)26-3/h7,9-12,23H,5-6,8,13H2,1-4H3
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n/an/a 630n/an/an/an/an/an/a



Baylor University

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin polymerization preincubated for 15 mins followed by GTP addition and measured for 20 mins by turbidimetry-based sp...

J Med Chem 62: 5594-5615 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00551
BindingDB Entry DOI: 10.7270/Q2MG7STZ
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)		BDBM50513139
PNG
(CHEMBL518054)
Show SMILES COc1ccc2c(CCCC=C2c2cc(OC)c(OC)c(OC)c2)c1O |c:10|
Show InChI InChI=1S/C21H24O5/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/h7,9-12,22H,5-6,8H2,1-4H3
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Baylor University

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin polymerization preincubated for 15 mins followed by GTP addition and measured for 20 mins by turbidimetry-based sp...

J Med Chem 62: 5594-5615 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00551
BindingDB Entry DOI: 10.7270/Q2MG7STZ
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)		BDBM50513146
PNG
(CHEMBL4465371)
Show SMILES CCOC(=O)c1c(OC)ccc2c1CCCC=C2c1cc(OC)c(OC)c(OC)c1 |c:17|
Show InChI InChI=1S/C24H28O6/c1-6-30-24(25)22-18-10-8-7-9-16(17(18)11-12-19(22)26-2)15-13-20(27-3)23(29-5)21(14-15)28-4/h9,11-14H,6-8,10H2,1-5H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



Baylor University

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin polymerization preincubated for 15 mins followed by GTP addition and measured for 20 mins by turbidimetry-based sp...

J Med Chem 62: 5594-5615 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00551
BindingDB Entry DOI: 10.7270/Q2MG7STZ
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)		BDBM50513144
PNG
(CHEMBL4570141)
Show SMILES COc1cc(cc(OC)c1OC)C1=CCCCc2c1ccc(OC)c2C#N |t:13|
Show InChI InChI=1S/C22H23NO4/c1-24-19-10-9-17-15(7-5-6-8-16(17)18(19)13-23)14-11-20(25-2)22(27-4)21(12-14)26-3/h7,9-12H,5-6,8H2,1-4H3
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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 followed by GTP addition and measured for 20 mins by turbidimetry-based sp...

J Med Chem 62: 5594-5615 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00551
BindingDB Entry DOI: 10.7270/Q2MG7STZ
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)		BDBM50513153
PNG
(CHEMBL4571005)
Show SMILES COc1ccc2c(CCCC(=O)C2(O)c2cc(OC)c(OC)c(OC)c2)c1O
Show InChI InChI=1S/C21H24O7/c1-25-15-9-8-14-13(19(15)23)6-5-7-18(22)21(14,24)12-10-16(26-2)20(28-4)17(11-12)27-3/h8-11,23-24H,5-7H2,1-4H3
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UniProtKB/TrEMBL

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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 followed by GTP addition and measured for 20 mins by turbidimetry-based sp...

J Med Chem 62: 5594-5615 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00551
BindingDB Entry DOI: 10.7270/Q2MG7STZ
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)		BDBM50513151
PNG
(CHEMBL4563329)
Show SMILES COc1ccc2c(CCCC=C2c2cc(OC)c(OC)c(OC)c2)c1C=O |c:10|
Show InChI InChI=1S/C22H24O5/c1-24-19-10-9-17-15(7-5-6-8-16(17)18(19)13-23)14-11-20(25-2)22(27-4)21(12-14)26-3/h7,9-13H,5-6,8H2,1-4H3
PDB

UniProtKB/TrEMBL

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n/an/a 3.20E+3n/an/an/an/an/an/a



Baylor University

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin polymerization preincubated for 15 mins followed by GTP addition and measured for 20 mins by turbidimetry-based sp...

J Med Chem 62: 5594-5615 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00551
BindingDB Entry DOI: 10.7270/Q2MG7STZ
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)		BDBM50513148
PNG
(CHEMBL4469445)
Show SMILES COc1ccc2c(CCC(O)C=C2c2cc(OC)c(OC)c(OC)c2)c1OC |c:11|
Show InChI InChI=1S/C22H26O6/c1-24-18-9-8-15-16(21(18)27-4)7-6-14(23)12-17(15)13-10-19(25-2)22(28-5)20(11-13)26-3/h8-12,14,23H,6-7H2,1-5H3
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UniProtKB/TrEMBL

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n/an/a 3.80E+3n/an/an/an/an/an/a



Baylor University

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin polymerization preincubated for 15 mins followed by GTP addition and measured for 20 mins by turbidimetry-based sp...

J Med Chem 62: 5594-5615 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00551
BindingDB Entry DOI: 10.7270/Q2MG7STZ
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)		BDBM50513150
PNG
(CHEMBL4583629)
Show SMILES COc1ccc2c(CCCC(Br)=C2c2cc(OC)c(OC)c(OC)c2)c1C |c:11|
Show InChI InChI=1S/C22H25BrO4/c1-13-15-7-6-8-17(23)21(16(15)9-10-18(13)24-2)14-11-19(25-3)22(27-5)20(12-14)26-4/h9-12H,6-8H2,1-5H3
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UniProtKB/TrEMBL

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n/an/a 4.90E+3n/an/an/an/an/an/a



Baylor University

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin polymerization preincubated for 15 mins followed by GTP addition and measured for 20 mins by turbidimetry-based sp...

J Med Chem 62: 5594-5615 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00551
BindingDB Entry DOI: 10.7270/Q2MG7STZ
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)		BDBM50513138
PNG
(CHEMBL4557472)
Show SMILES [Na;v0+].[Na;v0+].[#6]-[#8]-c1ccc-2c(-[#6]-[#6]=[#6]-[#6]=[#6]-2-c2cc(-[#8]-[#6])c(-[#8]-[#6])c(-[#8]-[#6])c2)c1-[#8]P([#8-])([#8-])=O |c:8,10|
Show InChI InChI=1S/C21H23O8P/c1-25-17-10-9-15-14(7-5-6-8-16(15)20(17)29-30(22,23)24)13-11-18(26-2)21(28-4)19(12-13)27-3/h5-7,9-12H,8H2,1-4H3,(H2,22,23,24)/p-2
PDB

UniProtKB/TrEMBL

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n/an/a 1.60E+4n/an/an/an/an/an/a



Baylor University

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin polymerization preincubated for 15 mins followed by GTP addition and measured for 20 mins by turbidimetry-based sp...

J Med Chem 62: 5594-5615 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00551
BindingDB Entry DOI: 10.7270/Q2MG7STZ
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)		BDBM50513136
PNG
(CHEMBL4436363)
Show SMILES COc1ccc2c(CCC(NC(C)=O)C=C2c2cc(OC)c(OC)c(OC)c2)c1O |c:14|
Show InChI InChI=1S/C23H27NO6/c1-13(25)24-15-6-7-17-16(8-9-19(27-2)22(17)26)18(12-15)14-10-20(28-3)23(30-5)21(11-14)29-4/h8-12,15,26H,6-7H2,1-5H3,(H,24,25)
PDB

UniProtKB/TrEMBL

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n/an/a>2.00E+4n/an/an/an/an/an/a



Baylor University

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin polymerization preincubated for 15 mins followed by GTP addition and measured for 20 mins by turbidimetry-based sp...

J Med Chem 62: 5594-5615 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00551
BindingDB Entry DOI: 10.7270/Q2MG7STZ
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)		BDBM50513142
PNG
(CHEMBL4547567)
Show SMILES COc1ccc2c(CCCC=C2c2cc(OC)c(OC)c(OC)c2)c1OCCO |c:10|
Show InChI InChI=1S/C23H28O6/c1-25-19-10-9-17-16(7-5-6-8-18(17)22(19)29-12-11-24)15-13-20(26-2)23(28-4)21(14-15)27-3/h7,9-10,13-14,24H,5-6,8,11-12H2,1-4H3
PDB

UniProtKB/TrEMBL

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Baylor University

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin polymerization preincubated for 15 mins followed by GTP addition and measured for 20 mins by turbidimetry-based sp...

J Med Chem 62: 5594-5615 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00551
BindingDB Entry DOI: 10.7270/Q2MG7STZ
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)		BDBM50513154
PNG
(CHEMBL4536467)
Show SMILES COc1ccc2c(CCC=CC2(O)c2cc(OC)c(OC)c(OC)c2)c1OC |c:9|
Show InChI InChI=1S/C22H26O6/c1-24-17-10-9-16-15(20(17)27-4)8-6-7-11-22(16,23)14-12-18(25-2)21(28-5)19(13-14)26-3/h7,9-13,23H,6,8H2,1-5H3
PDB

UniProtKB/TrEMBL

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Baylor University

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin polymerization preincubated for 15 mins followed by GTP addition and measured for 20 mins by turbidimetry-based sp...

J Med Chem 62: 5594-5615 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00551
BindingDB Entry DOI: 10.7270/Q2MG7STZ
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)		BDBM50513152
PNG
(CHEMBL4446352)
Show SMILES COc1ccc2c(CCC(CC2=O)c2cc(OC)c(OC)c(OC)c2)c1OC
Show InChI InChI=1S/C22H26O6/c1-24-18-9-8-15-16(21(18)27-4)7-6-13(10-17(15)23)14-11-19(25-2)22(28-5)20(12-14)26-3/h8-9,11-13H,6-7,10H2,1-5H3
PDB

UniProtKB/TrEMBL

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Baylor University

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin polymerization preincubated for 15 mins followed by GTP addition and measured for 20 mins by turbidimetry-based sp...

J Med Chem 62: 5594-5615 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00551
BindingDB Entry DOI: 10.7270/Q2MG7STZ
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)		BDBM50513149
PNG
(CHEMBL4580089)
Show SMILES COc1ccc2c(CCCCC2(O)c2cc(OC)c(OC)c(OC)c2)c1O
Show InChI InChI=1S/C21H26O6/c1-24-16-9-8-15-14(19(16)22)7-5-6-10-21(15,23)13-11-17(25-2)20(27-4)18(12-13)26-3/h8-9,11-12,22-23H,5-7,10H2,1-4H3
PDB

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n/an/a>2.00E+4n/an/an/an/an/an/a



Baylor University

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin polymerization preincubated for 15 mins followed by GTP addition and measured for 20 mins by turbidimetry-based sp...

J Med Chem 62: 5594-5615 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00551
BindingDB Entry DOI: 10.7270/Q2MG7STZ
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)		BDBM50513141
PNG
(CHEMBL4542794)
Show SMILES COCCOCCOc1c(OC)ccc2c1CCCC=C2c1cc(OC)c(OC)c(OC)c1 |c:20|
Show InChI InChI=1S/C26H34O7/c1-27-12-13-32-14-15-33-25-21-9-7-6-8-19(20(21)10-11-22(25)28-2)18-16-23(29-3)26(31-5)24(17-18)30-4/h8,10-11,16-17H,6-7,9,12-15H2,1-5H3
PDB

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Baylor University

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin polymerization preincubated for 15 mins followed by GTP addition and measured for 20 mins by turbidimetry-based sp...

J Med Chem 62: 5594-5615 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00551
BindingDB Entry DOI: 10.7270/Q2MG7STZ
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)		BDBM50513143
PNG
(CHEMBL4462776)
Show SMILES COc1ccc2c(CCCC(O)C2(O)c2cc(OC)c(OC)c(OC)c2)c1O
Show InChI InChI=1S/C21H26O7/c1-25-15-9-8-14-13(19(15)23)6-5-7-18(22)21(14,24)12-10-16(26-2)20(28-4)17(11-12)27-3/h8-11,18,22-24H,5-7H2,1-4H3
PDB

UniProtKB/TrEMBL

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Baylor University

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin polymerization preincubated for 15 mins followed by GTP addition and measured for 20 mins by turbidimetry-based sp...

J Med Chem 62: 5594-5615 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00551
BindingDB Entry DOI: 10.7270/Q2MG7STZ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%