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Compile Data Set for Download or QSAR

Found 48 hits with Last Name = 'sackett' and Initial = 'dl'   
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
Tubulin--tyrosine ligase


(Homo sapiens (Human))
BDBM18129
PNG
((2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid | L...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1
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2.50E+4 -27.3n/an/an/an/an/a6.837



Binghamton University



Assay Description
Inhibition of [3H]-L-tyrosine incorporation into tubulin by enzyme tubulin tyrosine ligase (TTL).


ACS Chem Biol 5: 777-85 (2010)


Article DOI: 10.1021/cb100060v
BindingDB Entry DOI: 10.7270/Q25H7DM1
More data for this
Ligand-Target Pair
Tubulin--tyrosine ligase


(Homo sapiens (Human))
BDBM36555
PNG
(3-Aminotyrosine)
Show SMILES NC(Cc1ccc(O)c(N)c1)C(O)=O
Show InChI InChI=1S/C9H12N2O3/c10-6-3-5(1-2-8(6)12)4-7(11)9(13)14/h1-3,7,12H,4,10-11H2,(H,13,14)
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2.00E+5 -22.0n/an/an/an/an/a6.837



Binghamton University



Assay Description
Inhibition of [3H]-L-tyrosine incorporation into tubulin by enzyme tubulin tyrosine ligase (TTL).


ACS Chem Biol 5: 777-85 (2010)


Article DOI: 10.1021/cb100060v
BindingDB Entry DOI: 10.7270/Q25H7DM1
More data for this
Ligand-Target Pair
Tubulin--tyrosine ligase


(Homo sapiens (Human))
BDBM36556
PNG
(3-Azidotyrosine)
Show SMILES NC(Cc1ccc(O)c(c1)N=[N]#N)C(O)=O
Show InChI InChI=1S/C9H10N4O3/c10-6(9(15)16)3-5-1-2-8(14)7(4-5)12-13-11/h1-2,4,6,14H,3,10H2,(H,15,16)
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2.00E+5 -22.0n/an/an/an/an/a6.837



Binghamton University



Assay Description
Inhibition of [3H]-L-tyrosine incorporation into tubulin by enzyme tubulin tyrosine ligase (TTL).


ACS Chem Biol 5: 777-85 (2010)


Article DOI: 10.1021/cb100060v
BindingDB Entry DOI: 10.7270/Q25H7DM1
More data for this
Ligand-Target Pair
Tubulin--tyrosine ligase


(Homo sapiens (Human))
BDBM36557
PNG
(3-Formyltyrosine)
Show SMILES NC(Cc1ccc(O)c(C=O)c1)C(O)=O
Show InChI InChI=1S/C10H11NO4/c11-8(10(14)15)4-6-1-2-9(13)7(3-6)5-12/h1-3,5,8,13H,4,11H2,(H,14,15)
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3.00E+5 -20.9n/an/an/an/an/a6.837



Binghamton University



Assay Description
Inhibition of [3H]-L-tyrosine incorporation into tubulin by enzyme tubulin tyrosine ligase (TTL).


ACS Chem Biol 5: 777-85 (2010)


Article DOI: 10.1021/cb100060v
BindingDB Entry DOI: 10.7270/Q25H7DM1
More data for this
Ligand-Target Pair
Tubulin--tyrosine ligase


(Homo sapiens (Human))
BDBM36554
PNG
(3-Nitrotyrosine)
Show SMILES NC(Cc1ccc(O)c(c1)N(=O)=O)C(O)=O
Show InChI InChI=1S/C9H10N2O5/c10-6(9(13)14)3-5-1-2-8(12)7(4-5)11(15)16/h1-2,4,6,12H,3,10H2,(H,13,14)
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4.00E+5 -20.2n/an/an/an/an/a6.837



Binghamton University



Assay Description
Inhibition of [3H]-L-tyrosine incorporation into tubulin by enzyme tubulin tyrosine ligase (TTL).


ACS Chem Biol 5: 777-85 (2010)


Article DOI: 10.1021/cb100060v
BindingDB Entry DOI: 10.7270/Q25H7DM1
More data for this
Ligand-Target Pair
Tubulin--tyrosine ligase


(Homo sapiens (Human))
BDBM36558
PNG
(4-Aminophenylalanine)
Show SMILES NC(Cc1ccc(N)cc1)C(O)=O
Show InChI InChI=1S/C9H12N2O2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,10-11H2,(H,12,13)
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>4.00E+6>-14.2n/an/an/an/an/a6.837



Binghamton University



Assay Description
Inhibition of [3H]-L-tyrosine incorporation into tubulin by enzyme tubulin tyrosine ligase (TTL).


ACS Chem Biol 5: 777-85 (2010)


Article DOI: 10.1021/cb100060v
BindingDB Entry DOI: 10.7270/Q25H7DM1
More data for this
Ligand-Target Pair
Tubulin alpha-1A chain


(Sus scrofa (Pig))
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 |r|
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 1.40E+3n/an/an/an/an/an/a



The Ohio State University



Assay Description
In vitro activity assay using leishmania tarentolae and porcine brain tubulin.


Chem Biol Drug Des 72: 513-24 (2008)


Article DOI: 10.1111/j.1747-0285.2008.00729.x
BindingDB Entry DOI: 10.7270/Q2SQ8XWV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tubulin beta chain


(Sus scrofa)
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 |r|
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 1.56E+3n/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of porcine brain tubulin polymerization by GTP-induced assembly


Bioorg Med Chem Lett 15: 5382-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.001
BindingDB Entry DOI: 10.7270/Q2Z322D9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tubulin beta chain


(Sus scrofa)
BDBM50475544
PNG
(CHEMBL372120)
Show SMILES COc1ccc2\C(=C/c3cc(OC)c(OC)c(OC)c3)C(=O)Nc2c1
Show InChI InChI=1S/C19H19NO5/c1-22-12-5-6-13-14(19(21)20-15(13)10-12)7-11-8-16(23-2)18(25-4)17(9-11)24-3/h5-10H,1-4H3,(H,20,21)/b14-7+
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n/an/a 4.50E+3n/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of porcine brain tubulin polymerization by GTP-induced assembly


Bioorg Med Chem Lett 15: 5382-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.001
BindingDB Entry DOI: 10.7270/Q2Z322D9
More data for this
Ligand-Target Pair
Tubulin alpha-1A chain


(Sus scrofa (Pig))
BDBM81747
PNG
(Chembridge No 9067250, Class 1, 8)
Show SMILES COC(=O)c1ccccc1NS(=O)(=O)c1ccc(OC)c(F)c1
Show InChI InChI=1S/C15H14FNO5S/c1-21-14-8-7-10(9-12(14)16)23(19,20)17-13-6-4-3-5-11(13)15(18)22-2/h3-9,17H,1-2H3
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n/an/a 5.20E+3n/an/an/an/an/an/a



The Ohio State University



Assay Description
In vitro activity assay using leishmania tarentolae and porcine brain tubulin.


Chem Biol Drug Des 72: 513-24 (2008)


Article DOI: 10.1111/j.1747-0285.2008.00729.x
BindingDB Entry DOI: 10.7270/Q2SQ8XWV
More data for this
Ligand-Target Pair
Tubulin alpha chain


(Leishmania tarentolae (Sauroleishmania tarentolae))
BDBM81744
PNG
(Oryzalin Analogue, 3)
Show SMILES CCCN(CCC)c1c(cc(cc1N(=O)=O)S(=O)(=O)Nc1ccccc1)N(=O)=O
Show InChI InChI=1S/C18H22N4O6S/c1-3-10-20(11-4-2)18-16(21(23)24)12-15(13-17(18)22(25)26)29(27,28)19-14-8-6-5-7-9-14/h5-9,12-13,19H,3-4,10-11H2,1-2H3
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n/an/a 6.40E+3n/an/an/an/an/an/a



The Ohio State University



Assay Description
In vitro activity assay using leishmania tarentolae and porcine brain tubulin.


Chem Biol Drug Des 72: 513-24 (2008)


Article DOI: 10.1111/j.1747-0285.2008.00729.x
BindingDB Entry DOI: 10.7270/Q2SQ8XWV
More data for this
Ligand-Target Pair
Tubulin alpha chain


(Leishmania tarentolae (Sauroleishmania tarentolae))
BDBM81745
PNG
(Oryzalin Analogue, 4)
Show SMILES CCCN(CCC)c1c(cc(cc1C#N)S(=O)(=O)Nc1ccccc1)C#N
Show InChI InChI=1S/C20H22N4O2S/c1-3-10-24(11-4-2)20-16(14-21)12-19(13-17(20)15-22)27(25,26)23-18-8-6-5-7-9-18/h5-9,12-13,23H,3-4,10-11H2,1-2H3
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n/an/a 6.60E+3n/an/an/an/an/an/a



The Ohio State University



Assay Description
In vitro activity assay using leishmania tarentolae and porcine brain tubulin.


Chem Biol Drug Des 72: 513-24 (2008)


Article DOI: 10.1111/j.1747-0285.2008.00729.x
BindingDB Entry DOI: 10.7270/Q2SQ8XWV
More data for this
Ligand-Target Pair
Tubulin beta chain


(Sus scrofa)
BDBM50475546
PNG
(CHEMBL382519)
Show SMILES COc1ccc2\C(=C/c3cccc(O)c3)C(=O)Nc2c1
Show InChI InChI=1S/C16H13NO3/c1-20-12-5-6-13-14(16(19)17-15(13)9-12)8-10-3-2-4-11(18)7-10/h2-9,18H,1H3,(H,17,19)/b14-8+
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n/an/a 9.10E+3n/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of porcine brain tubulin polymerization by GTP-induced assembly


Bioorg Med Chem Lett 15: 5382-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.001
BindingDB Entry DOI: 10.7270/Q2Z322D9
More data for this
Ligand-Target Pair
Tubulin alpha chain


(Leishmania tarentolae (Sauroleishmania tarentolae))
BDBM81746
PNG
(Chembridge No 7992831, 5)
Show SMILES COc1cc(cc(I)c1CCC#C)C#N
Show InChI InChI=1S/C12H10INO/c1-3-4-5-10-11(13)6-9(8-14)7-12(10)15-2/h1,6-7H,4-5H2,2H3
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n/an/a 1.30E+4n/an/an/an/an/an/a



The Ohio State University



Assay Description
In vitro activity assay using leishmania tarentolae and porcine brain tubulin.


Chem Biol Drug Des 72: 513-24 (2008)


Article DOI: 10.1111/j.1747-0285.2008.00729.x
BindingDB Entry DOI: 10.7270/Q2SQ8XWV
More data for this
Ligand-Target Pair
Tubulin beta chain


(Sus scrofa)
BDBM50475541
PNG
(CHEMBL196754)
Show SMILES COc1ccc2\C(=C/c3ccc(O)cc3)C(=O)Nc2c1
Show InChI InChI=1S/C16H13NO3/c1-20-12-6-7-13-14(16(19)17-15(13)9-12)8-10-2-4-11(18)5-3-10/h2-9,18H,1H3,(H,17,19)/b14-8+
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n/an/a 1.80E+4n/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of porcine brain tubulin polymerization by GTP-induced assembly


Bioorg Med Chem Lett 15: 5382-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.001
BindingDB Entry DOI: 10.7270/Q2Z322D9
More data for this
Ligand-Target Pair
Tubulin alpha-1A chain


(Sus scrofa (Pig))
BDBM81746
PNG
(Chembridge No 7992831, 5)
Show SMILES COc1cc(cc(I)c1CCC#C)C#N
Show InChI InChI=1S/C12H10INO/c1-3-4-5-10-11(13)6-9(8-14)7-12(10)15-2/h1,6-7H,4-5H2,2H3
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n/an/a 3.80E+4n/an/an/an/an/an/a



The Ohio State University



Assay Description
In vitro activity assay using leishmania tarentolae and porcine brain tubulin.


Chem Biol Drug Des 72: 513-24 (2008)


Article DOI: 10.1111/j.1747-0285.2008.00729.x
BindingDB Entry DOI: 10.7270/Q2SQ8XWV
More data for this
Ligand-Target Pair
Tubulin alpha chain


(Leishmania tarentolae (Sauroleishmania tarentolae))
BDBM81743
PNG
(Oryzalin, 1)
Show SMILES CCCN(CCC)c1c(cc(cc1N(=O)=O)S(N)(=O)=O)N(=O)=O
Show InChI InChI=1S/C12H18N4O6S/c1-3-5-14(6-4-2)12-10(15(17)18)7-9(23(13,21)22)8-11(12)16(19)20/h7-8H,3-6H2,1-2H3,(H2,13,21,22)
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n/an/a>4.00E+4n/an/an/an/an/an/a



The Ohio State University



Assay Description
In vitro activity assay using leishmania tarentolae and porcine brain tubulin.


Chem Biol Drug Des 72: 513-24 (2008)


Article DOI: 10.1111/j.1747-0285.2008.00729.x
BindingDB Entry DOI: 10.7270/Q2SQ8XWV
More data for this
Ligand-Target Pair
Tubulin alpha-1A chain


(Sus scrofa (Pig))
BDBM81744
PNG
(Oryzalin Analogue, 3)
Show SMILES CCCN(CCC)c1c(cc(cc1N(=O)=O)S(=O)(=O)Nc1ccccc1)N(=O)=O
Show InChI InChI=1S/C18H22N4O6S/c1-3-10-20(11-4-2)18-16(21(23)24)12-15(13-17(18)22(25)26)29(27,28)19-14-8-6-5-7-9-14/h5-9,12-13,19H,3-4,10-11H2,1-2H3
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The Ohio State University



Assay Description
In vitro activity assay using leishmania tarentolae and porcine brain tubulin.


Chem Biol Drug Des 72: 513-24 (2008)


Article DOI: 10.1111/j.1747-0285.2008.00729.x
BindingDB Entry DOI: 10.7270/Q2SQ8XWV
More data for this
Ligand-Target Pair
Tubulin beta chain


(Sus scrofa)
BDBM50475545
PNG
(CHEMBL381416)
Show SMILES Oc1ccc(\C=C2\C(=O)Nc3cc(O)ccc23)cc1
Show InChI InChI=1S/C15H11NO3/c17-10-3-1-9(2-4-10)7-13-12-6-5-11(18)8-14(12)16-15(13)19/h1-8,17-18H,(H,16,19)/b13-7+
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n/an/a>4.00E+4n/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of porcine brain tubulin polymerization by GTP-induced assembly


Bioorg Med Chem Lett 15: 5382-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.001
BindingDB Entry DOI: 10.7270/Q2Z322D9
More data for this
Ligand-Target Pair
Tubulin beta chain


(Sus scrofa)
BDBM50131995
PNG
((E)-3-(4-hydroxybenzylidene)indolin-2-one | 3-(4-H...)
Show SMILES Oc1ccc(\C=C2\C(=O)Nc3ccccc23)cc1
Show InChI InChI=1S/C15H11NO2/c17-11-7-5-10(6-8-11)9-13-12-3-1-2-4-14(12)16-15(13)18/h1-9,17H,(H,16,18)/b13-9+
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The Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of porcine brain tubulin polymerization by GTP-induced assembly


Bioorg Med Chem Lett 15: 5382-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.001
BindingDB Entry DOI: 10.7270/Q2Z322D9
More data for this
Ligand-Target Pair
Tubulin beta chain


(Sus scrofa)
BDBM50475543
PNG
(CHEMBL382323)
Show SMILES Oc1cccc(\C=C2\C(=O)Nc3ccccc23)c1
Show InChI InChI=1S/C15H11NO2/c17-11-5-3-4-10(8-11)9-13-12-6-1-2-7-14(12)16-15(13)18/h1-9,17H,(H,16,18)/b13-9+
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n/an/a>4.00E+4n/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of porcine brain tubulin polymerization by GTP-induced assembly


Bioorg Med Chem Lett 15: 5382-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.001
BindingDB Entry DOI: 10.7270/Q2Z322D9
More data for this
Ligand-Target Pair
Tubulin beta chain


(Sus scrofa)
BDBM4810
PNG
((3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-...)
Show SMILES Cc1cc(C)c(\C=C2/C(=O)Nc3ccccc23)[nH]1
Show InChI InChI=1S/C15H14N2O/c1-9-7-10(2)16-14(9)8-12-11-5-3-4-6-13(11)17-15(12)18/h3-8,16H,1-2H3,(H,17,18)/b12-8-
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The Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of porcine brain tubulin polymerization by GTP-induced assembly


Bioorg Med Chem Lett 15: 5382-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.001
BindingDB Entry DOI: 10.7270/Q2Z322D9
More data for this
Ligand-Target Pair
Tubulin beta chain


(Sus scrofa)
BDBM50475542
PNG
(CHEMBL378162)
Show SMILES Oc1ccc2\C(=C/c3cccc(O)c3)C(=O)Nc2c1
Show InChI InChI=1S/C15H11NO3/c17-10-3-1-2-9(6-10)7-13-12-5-4-11(18)8-14(12)16-15(13)19/h1-8,17-18H,(H,16,19)/b13-7+
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The Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of porcine brain tubulin polymerization by GTP-induced assembly


Bioorg Med Chem Lett 15: 5382-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.001
BindingDB Entry DOI: 10.7270/Q2Z322D9
More data for this
Ligand-Target Pair
Tubulin alpha-1A chain


(Sus scrofa (Pig))
BDBM81743
PNG
(Oryzalin, 1)
Show SMILES CCCN(CCC)c1c(cc(cc1N(=O)=O)S(N)(=O)=O)N(=O)=O
Show InChI InChI=1S/C12H18N4O6S/c1-3-5-14(6-4-2)12-10(15(17)18)7-9(23(13,21)22)8-11(12)16(19)20/h7-8H,3-6H2,1-2H3,(H2,13,21,22)
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The Ohio State University



Assay Description
In vitro activity assay using leishmania tarentolae and porcine brain tubulin.


Chem Biol Drug Des 72: 513-24 (2008)


Article DOI: 10.1111/j.1747-0285.2008.00729.x
BindingDB Entry DOI: 10.7270/Q2SQ8XWV
More data for this
Ligand-Target Pair
Tubulin alpha-1A chain


(Sus scrofa (Pig))
BDBM81745
PNG
(Oryzalin Analogue, 4)
Show SMILES CCCN(CCC)c1c(cc(cc1C#N)S(=O)(=O)Nc1ccccc1)C#N
Show InChI InChI=1S/C20H22N4O2S/c1-3-10-24(11-4-2)20-16(14-21)12-19(13-17(20)15-22)27(25,26)23-18-8-6-5-7-9-18/h5-9,12-13,23H,3-4,10-11H2,1-2H3
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The Ohio State University



Assay Description
In vitro activity assay using leishmania tarentolae and porcine brain tubulin.


Chem Biol Drug Des 72: 513-24 (2008)


Article DOI: 10.1111/j.1747-0285.2008.00729.x
BindingDB Entry DOI: 10.7270/Q2SQ8XWV
More data for this
Ligand-Target Pair
Tubulin alpha chain


(Leishmania tarentolae (Sauroleishmania tarentolae))
BDBM81747
PNG
(Chembridge No 9067250, Class 1, 8)
Show SMILES COC(=O)c1ccccc1NS(=O)(=O)c1ccc(OC)c(F)c1
Show InChI InChI=1S/C15H14FNO5S/c1-21-14-8-7-10(9-12(14)16)23(19,20)17-13-6-4-3-5-11(13)15(18)22-2/h3-9,17H,1-2H3
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The Ohio State University



Assay Description
In vitro activity assay using leishmania tarentolae and porcine brain tubulin.


Chem Biol Drug Des 72: 513-24 (2008)


Article DOI: 10.1111/j.1747-0285.2008.00729.x
BindingDB Entry DOI: 10.7270/Q2SQ8XWV
More data for this
Ligand-Target Pair
Tubulin alpha chain


(Leishmania tarentolae (Sauroleishmania tarentolae))
BDBM81748
PNG
(Chembridge No 7946770, Class 1, 9)
Show SMILES CCOc1cccc(c1)C(=O)Nc1ccc(cc1)S(=O)(=O)N1CCCC1
Show InChI InChI=1S/C19H22N2O4S/c1-2-25-17-7-5-6-15(14-17)19(22)20-16-8-10-18(11-9-16)26(23,24)21-12-3-4-13-21/h5-11,14H,2-4,12-13H2,1H3,(H,20,22)
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The Ohio State University



Assay Description
In vitro activity assay using leishmania tarentolae and porcine brain tubulin.


Chem Biol Drug Des 72: 513-24 (2008)


Article DOI: 10.1111/j.1747-0285.2008.00729.x
BindingDB Entry DOI: 10.7270/Q2SQ8XWV
More data for this
Ligand-Target Pair
Tubulin alpha chain


(Leishmania tarentolae (Sauroleishmania tarentolae))
BDBM81753
PNG
(Chembridge No 9035165, Class 2, 13)
Show SMILES O=C(N1CCN(CC1)c1oc(nc1C#N)-c1ccccc1)c1cccs1
Show InChI InChI=1S/C19H16N4O2S/c20-13-15-19(25-17(21-15)14-5-2-1-3-6-14)23-10-8-22(9-11-23)18(24)16-7-4-12-26-16/h1-7,12H,8-11H2
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The Ohio State University



Assay Description
In vitro activity assay using leishmania tarentolae and porcine brain tubulin.


Chem Biol Drug Des 72: 513-24 (2008)


Article DOI: 10.1111/j.1747-0285.2008.00729.x
BindingDB Entry DOI: 10.7270/Q2SQ8XWV
More data for this
Ligand-Target Pair
Tubulin alpha-1A chain


(Sus scrofa (Pig))
BDBM81752
PNG
(Chembridge No 9035650, Class 2, 12)
Show SMILES COc1ccc(cc1)C(=O)N1CCN(CC1)c1oc(nc1C#N)-c1ccccc1
Show InChI InChI=1S/C22H20N4O3/c1-28-18-9-7-17(8-10-18)21(27)25-11-13-26(14-12-25)22-19(15-23)24-20(29-22)16-5-3-2-4-6-16/h2-10H,11-14H2,1H3
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The Ohio State University



Assay Description
In vitro activity assay using leishmania tarentolae and porcine brain tubulin.


Chem Biol Drug Des 72: 513-24 (2008)


Article DOI: 10.1111/j.1747-0285.2008.00729.x
BindingDB Entry DOI: 10.7270/Q2SQ8XWV
More data for this
Ligand-Target Pair
Tubulin alpha-1A chain


(Sus scrofa (Pig))
BDBM81751
PNG
(Chembridge No 9041709, Class 2, 11)
Show SMILES O=C(N1CCN(CC1)c1oc(nc1C#N)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H18N4O2/c22-15-18-21(27-19(23-18)16-7-3-1-4-8-16)25-13-11-24(12-14-25)20(26)17-9-5-2-6-10-17/h1-10H,11-14H2
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n/an/a 6.30E+4n/an/an/an/an/an/a



The Ohio State University



Assay Description
In vitro activity assay using leishmania tarentolae and porcine brain tubulin.


Chem Biol Drug Des 72: 513-24 (2008)


Article DOI: 10.1111/j.1747-0285.2008.00729.x
BindingDB Entry DOI: 10.7270/Q2SQ8XWV
More data for this
Ligand-Target Pair
Tubulin alpha-1A chain


(Sus scrofa (Pig))
BDBM81753
PNG
(Chembridge No 9035165, Class 2, 13)
Show SMILES O=C(N1CCN(CC1)c1oc(nc1C#N)-c1ccccc1)c1cccs1
Show InChI InChI=1S/C19H16N4O2S/c20-13-15-19(25-17(21-15)14-5-2-1-3-6-14)23-10-8-22(9-11-23)18(24)16-7-4-12-26-16/h1-7,12H,8-11H2
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n/an/a 6.30E+4n/an/an/an/an/an/a



The Ohio State University



Assay Description
In vitro activity assay using leishmania tarentolae and porcine brain tubulin.


Chem Biol Drug Des 72: 513-24 (2008)


Article DOI: 10.1111/j.1747-0285.2008.00729.x
BindingDB Entry DOI: 10.7270/Q2SQ8XWV
More data for this
Ligand-Target Pair
Tubulin alpha chain


(Leishmania tarentolae (Sauroleishmania tarentolae))
BDBM81749
PNG
(Chembridge No 7960631, Class 1, 10)
Show SMILES CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccccc2SC)cc1
Show InChI InChI=1S/C18H22N2O3S2/c1-4-20(5-2)25(22,23)15-12-10-14(11-13-15)19-18(21)16-8-6-7-9-17(16)24-3/h6-13H,4-5H2,1-3H3,(H,19,21)
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n/an/a 6.40E+4n/an/an/an/an/an/a



The Ohio State University



Assay Description
In vitro activity assay using leishmania tarentolae and porcine brain tubulin.


Chem Biol Drug Des 72: 513-24 (2008)


Article DOI: 10.1111/j.1747-0285.2008.00729.x
BindingDB Entry DOI: 10.7270/Q2SQ8XWV
More data for this
Ligand-Target Pair
Tubulin alpha chain


(Leishmania tarentolae (Sauroleishmania tarentolae))
BDBM81752
PNG
(Chembridge No 9035650, Class 2, 12)
Show SMILES COc1ccc(cc1)C(=O)N1CCN(CC1)c1oc(nc1C#N)-c1ccccc1
Show InChI InChI=1S/C22H20N4O3/c1-28-18-9-7-17(8-10-18)21(27)25-11-13-26(14-12-25)22-19(15-23)24-20(29-22)16-5-3-2-4-6-16/h2-10H,11-14H2,1H3
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n/an/a 6.60E+4n/an/an/an/an/an/a



The Ohio State University



Assay Description
In vitro activity assay using leishmania tarentolae and porcine brain tubulin.


Chem Biol Drug Des 72: 513-24 (2008)


Article DOI: 10.1111/j.1747-0285.2008.00729.x
BindingDB Entry DOI: 10.7270/Q2SQ8XWV
More data for this
Ligand-Target Pair
Tubulin alpha-1A chain


(Sus scrofa (Pig))
BDBM81748
PNG
(Chembridge No 7946770, Class 1, 9)
Show SMILES CCOc1cccc(c1)C(=O)Nc1ccc(cc1)S(=O)(=O)N1CCCC1
Show InChI InChI=1S/C19H22N2O4S/c1-2-25-17-7-5-6-15(14-17)19(22)20-16-8-10-18(11-9-16)26(23,24)21-12-3-4-13-21/h5-11,14H,2-4,12-13H2,1H3,(H,20,22)
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n/an/a 6.70E+4n/an/an/an/an/an/a



The Ohio State University



Assay Description
In vitro activity assay using leishmania tarentolae and porcine brain tubulin.


Chem Biol Drug Des 72: 513-24 (2008)


Article DOI: 10.1111/j.1747-0285.2008.00729.x
BindingDB Entry DOI: 10.7270/Q2SQ8XWV
More data for this
Ligand-Target Pair
Tubulin alpha chain


(Leishmania tarentolae (Sauroleishmania tarentolae))
BDBM81751
PNG
(Chembridge No 9041709, Class 2, 11)
Show SMILES O=C(N1CCN(CC1)c1oc(nc1C#N)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H18N4O2/c22-15-18-21(27-19(23-18)16-7-3-1-4-8-16)25-13-11-24(12-14-25)20(26)17-9-5-2-6-10-17/h1-10H,11-14H2
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The Ohio State University



Assay Description
In vitro activity assay using leishmania tarentolae and porcine brain tubulin.


Chem Biol Drug Des 72: 513-24 (2008)


Article DOI: 10.1111/j.1747-0285.2008.00729.x
BindingDB Entry DOI: 10.7270/Q2SQ8XWV
More data for this
Ligand-Target Pair
Tubulin alpha-1A chain


(Sus scrofa (Pig))
BDBM81749
PNG
(Chembridge No 7960631, Class 1, 10)
Show SMILES CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccccc2SC)cc1
Show InChI InChI=1S/C18H22N2O3S2/c1-4-20(5-2)25(22,23)15-12-10-14(11-13-15)19-18(21)16-8-6-7-9-17(16)24-3/h6-13H,4-5H2,1-3H3,(H,19,21)
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The Ohio State University



Assay Description
In vitro activity assay using leishmania tarentolae and porcine brain tubulin.


Chem Biol Drug Des 72: 513-24 (2008)


Article DOI: 10.1111/j.1747-0285.2008.00729.x
BindingDB Entry DOI: 10.7270/Q2SQ8XWV
More data for this
Ligand-Target Pair
Tubulin alpha-1A chain


(Sus scrofa (Pig))
BDBM81750
PNG
(Chembridge No 9063043, Class 1, 17)
Show SMILES COc1ccccc1NC(=O)c1ccc(OCC(C)=C)cc1
Show InChI InChI=1S/C18H19NO3/c1-13(2)12-22-15-10-8-14(9-11-15)18(20)19-16-6-4-5-7-17(16)21-3/h4-11H,1,12H2,2-3H3,(H,19,20)
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The Ohio State University



Assay Description
In vitro activity assay using leishmania tarentolae and porcine brain tubulin.


Chem Biol Drug Des 72: 513-24 (2008)


Article DOI: 10.1111/j.1747-0285.2008.00729.x
BindingDB Entry DOI: 10.7270/Q2SQ8XWV
More data for this
Ligand-Target Pair
Tubulin alpha chain


(Leishmania tarentolae (Sauroleishmania tarentolae))
BDBM81750
PNG
(Chembridge No 9063043, Class 1, 17)
Show SMILES COc1ccccc1NC(=O)c1ccc(OCC(C)=C)cc1
Show InChI InChI=1S/C18H19NO3/c1-13(2)12-22-15-10-8-14(9-11-15)18(20)19-16-6-4-5-7-17(16)21-3/h4-11H,1,12H2,2-3H3,(H,19,20)
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The Ohio State University



Assay Description
In vitro activity assay using leishmania tarentolae and porcine brain tubulin.


Chem Biol Drug Des 72: 513-24 (2008)


Article DOI: 10.1111/j.1747-0285.2008.00729.x
BindingDB Entry DOI: 10.7270/Q2SQ8XWV
More data for this
Ligand-Target Pair
Tubulin alpha-1A chain


(Sus scrofa (Pig))
BDBM81754
PNG
(Chembridge No 7944934, Class 2, 16)
Show SMILES CS1=C(Oc2ccccc12)C(=O)N1CCN(CC1)S(=O)(=O)c1ccccc1 |t:1|
Show InChI InChI=1S/C19H20N2O4S2/c1-26-17-10-6-5-9-16(17)25-19(26)18(22)20-11-13-21(14-12-20)27(23,24)15-7-3-2-4-8-15/h2-10H,11-14H2,1H3
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The Ohio State University



Assay Description
In vitro activity assay using leishmania tarentolae and porcine brain tubulin.


Chem Biol Drug Des 72: 513-24 (2008)


Article DOI: 10.1111/j.1747-0285.2008.00729.x
BindingDB Entry DOI: 10.7270/Q2SQ8XWV
More data for this
Ligand-Target Pair
Tubulin alpha-1A chain


(Sus scrofa (Pig))
BDBM81757
PNG
(Chembridge No 9049411, Class 4, 15)
Show SMILES COc1cc(NC(=O)CSC2=NCCS2)c(OC)cc1Cl |t:10|
Show InChI InChI=1S/C13H15ClN2O3S2/c1-18-10-6-9(11(19-2)5-8(10)14)16-12(17)7-21-13-15-3-4-20-13/h5-6H,3-4,7H2,1-2H3,(H,16,17)
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The Ohio State University



Assay Description
In vitro activity assay using leishmania tarentolae and porcine brain tubulin.


Chem Biol Drug Des 72: 513-24 (2008)


Article DOI: 10.1111/j.1747-0285.2008.00729.x
BindingDB Entry DOI: 10.7270/Q2SQ8XWV
More data for this
Ligand-Target Pair
Tubulin alpha chain


(Leishmania tarentolae (Sauroleishmania tarentolae))
BDBM81756
PNG
(Chembridge No 9056942, Class 3, 7)
Show SMILES COc1cc(OC)cc(c1)C(=O)NCc1nc(no1)-c1ccccc1
Show InChI InChI=1S/C18H17N3O4/c1-23-14-8-13(9-15(10-14)24-2)18(22)19-11-16-20-17(21-25-16)12-6-4-3-5-7-12/h3-10H,11H2,1-2H3,(H,19,22)
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The Ohio State University



Assay Description
In vitro activity assay using leishmania tarentolae and porcine brain tubulin.


Chem Biol Drug Des 72: 513-24 (2008)


Article DOI: 10.1111/j.1747-0285.2008.00729.x
BindingDB Entry DOI: 10.7270/Q2SQ8XWV
More data for this
Ligand-Target Pair
Tubulin alpha chain


(Leishmania tarentolae (Sauroleishmania tarentolae))
BDBM81758
PNG
(Chembridge No 9044486, Class 4, 6)
Show SMILES COC(=O)c1ccsc1NC(=O)CSc1nc2ccccc2o1
Show InChI InChI=1S/C15H12N2O4S2/c1-20-14(19)9-6-7-22-13(9)17-12(18)8-23-15-16-10-4-2-3-5-11(10)21-15/h2-7H,8H2,1H3,(H,17,18)
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The Ohio State University



Assay Description
In vitro activity assay using leishmania tarentolae and porcine brain tubulin.


Chem Biol Drug Des 72: 513-24 (2008)


Article DOI: 10.1111/j.1747-0285.2008.00729.x
BindingDB Entry DOI: 10.7270/Q2SQ8XWV
More data for this
Ligand-Target Pair
Tubulin alpha chain


(Leishmania tarentolae (Sauroleishmania tarentolae))
BDBM81755
PNG
(Chembridge No 9026860, Class 3, 14)
Show SMILES COc1ccc(cc1)C(=O)N(Cc1nc(no1)-c1ccc(OC)cc1)C(C)C
Show InChI InChI=1S/C21H23N3O4/c1-14(2)24(21(25)16-7-11-18(27-4)12-8-16)13-19-22-20(23-28-19)15-5-9-17(26-3)10-6-15/h5-12,14H,13H2,1-4H3
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n/an/a 8.90E+4n/an/an/an/an/an/a



The Ohio State University



Assay Description
In vitro activity assay using leishmania tarentolae and porcine brain tubulin.


Chem Biol Drug Des 72: 513-24 (2008)


Article DOI: 10.1111/j.1747-0285.2008.00729.x
BindingDB Entry DOI: 10.7270/Q2SQ8XWV
More data for this
Ligand-Target Pair
Tubulin alpha chain


(Leishmania tarentolae (Sauroleishmania tarentolae))
BDBM81754
PNG
(Chembridge No 7944934, Class 2, 16)
Show SMILES CS1=C(Oc2ccccc12)C(=O)N1CCN(CC1)S(=O)(=O)c1ccccc1 |t:1|
Show InChI InChI=1S/C19H20N2O4S2/c1-26-17-10-6-5-9-16(17)25-19(26)18(22)20-11-13-21(14-12-20)27(23,24)15-7-3-2-4-8-15/h2-10H,11-14H2,1H3
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The Ohio State University



Assay Description
In vitro activity assay using leishmania tarentolae and porcine brain tubulin.


Chem Biol Drug Des 72: 513-24 (2008)


Article DOI: 10.1111/j.1747-0285.2008.00729.x
BindingDB Entry DOI: 10.7270/Q2SQ8XWV
More data for this
Ligand-Target Pair
Tubulin alpha chain


(Leishmania tarentolae (Sauroleishmania tarentolae))
BDBM81757
PNG
(Chembridge No 9049411, Class 4, 15)
Show SMILES COc1cc(NC(=O)CSC2=NCCS2)c(OC)cc1Cl |t:10|
Show InChI InChI=1S/C13H15ClN2O3S2/c1-18-10-6-9(11(19-2)5-8(10)14)16-12(17)7-21-13-15-3-4-20-13/h5-6H,3-4,7H2,1-2H3,(H,16,17)
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PubMed
n/an/a 1.07E+5n/an/an/an/an/an/a



The Ohio State University



Assay Description
In vitro activity assay using leishmania tarentolae and porcine brain tubulin.


Chem Biol Drug Des 72: 513-24 (2008)


Article DOI: 10.1111/j.1747-0285.2008.00729.x
BindingDB Entry DOI: 10.7270/Q2SQ8XWV
More data for this
Ligand-Target Pair
Tubulin alpha-1A chain


(Sus scrofa (Pig))
BDBM81755
PNG
(Chembridge No 9026860, Class 3, 14)
Show SMILES COc1ccc(cc1)C(=O)N(Cc1nc(no1)-c1ccc(OC)cc1)C(C)C
Show InChI InChI=1S/C21H23N3O4/c1-14(2)24(21(25)16-7-11-18(27-4)12-8-16)13-19-22-20(23-28-19)15-5-9-17(26-3)10-6-15/h5-12,14H,13H2,1-4H3
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n/an/a 1.11E+5n/an/an/an/an/an/a



The Ohio State University



Assay Description
In vitro activity assay using leishmania tarentolae and porcine brain tubulin.


Chem Biol Drug Des 72: 513-24 (2008)


Article DOI: 10.1111/j.1747-0285.2008.00729.x
BindingDB Entry DOI: 10.7270/Q2SQ8XWV
More data for this
Ligand-Target Pair
Tubulin alpha-1A chain


(Sus scrofa (Pig))
BDBM81758
PNG
(Chembridge No 9044486, Class 4, 6)
Show SMILES COC(=O)c1ccsc1NC(=O)CSc1nc2ccccc2o1
Show InChI InChI=1S/C15H12N2O4S2/c1-20-14(19)9-6-7-22-13(9)17-12(18)8-23-15-16-10-4-2-3-5-11(10)21-15/h2-7H,8H2,1H3,(H,17,18)
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n/an/a 1.20E+5n/an/an/an/an/an/a



The Ohio State University



Assay Description
In vitro activity assay using leishmania tarentolae and porcine brain tubulin.


Chem Biol Drug Des 72: 513-24 (2008)


Article DOI: 10.1111/j.1747-0285.2008.00729.x
BindingDB Entry DOI: 10.7270/Q2SQ8XWV
More data for this
Ligand-Target Pair
Tubulin alpha-1A chain


(Sus scrofa (Pig))
BDBM81756
PNG
(Chembridge No 9056942, Class 3, 7)
Show SMILES COc1cc(OC)cc(c1)C(=O)NCc1nc(no1)-c1ccccc1
Show InChI InChI=1S/C18H17N3O4/c1-23-14-8-13(9-15(10-14)24-2)18(22)19-11-16-20-17(21-25-16)12-6-4-3-5-7-12/h3-10H,11H2,1-2H3,(H,19,22)
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n/an/a 1.40E+5n/an/an/an/an/an/a



The Ohio State University



Assay Description
In vitro activity assay using leishmania tarentolae and porcine brain tubulin.


Chem Biol Drug Des 72: 513-24 (2008)


Article DOI: 10.1111/j.1747-0285.2008.00729.x
BindingDB Entry DOI: 10.7270/Q2SQ8XWV
More data for this
Ligand-Target Pair