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Compile Data Set for Download or QSAR

Found 16 hits of ic50 data for polymerid = 49001142   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tubulin


(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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PubMed
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)

More data for this
Ligand-Target Pair
Tubulin


(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)

More data for this
Ligand-Target Pair
Tubulin


(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)

More data for this
Ligand-Target Pair
Tubulin


(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)

More data for this
Ligand-Target Pair
Tubulin


(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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PubMed
n/an/a 5.50E+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)

More data for this
Ligand-Target Pair
Tubulin


(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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n/an/a 5.80E+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)

More data for this
Ligand-Target Pair
Tubulin


(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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n/an/a 6.00E+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)

More data for this
Ligand-Target Pair
Tubulin


(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)

More data for this
Ligand-Target Pair
Tubulin


(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)

More data for this
Ligand-Target Pair
Tubulin


(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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n/an/a 6.80E+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)

More data for this
Ligand-Target Pair
Tubulin


(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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n/an/a 7.00E+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)

More data for this
Ligand-Target Pair
Tubulin


(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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n/an/a 7.80E+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)

More data for this
Ligand-Target Pair
Tubulin


(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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n/an/a 8.10E+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)

More data for this
Ligand-Target Pair
Tubulin


(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)

More data for this
Ligand-Target Pair
Tubulin


(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
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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n/an/a 9.50E+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)

More data for this
Ligand-Target Pair
Tubulin


(Leishmania tarentolae (Sauroleishmania tarentolae))
BDBM81757
PNG
(Chembridge No 9049411, Class 4, 15)
Show SMILES COc1cc(NC(=O)CSC2=NCCS2)c(OC)cc1Cl
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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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)

More data for this
Ligand-Target Pair