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Compile Data Set for Download or QSAR

Found 11 hits of ec50 data for polymerid = 50000008   
Target
(Institution)
LigandTarget
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 polymerization-promoting protein


(Bos taurus)
BDBM50014846
PNG
((S)-N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-...)
Show SMILES COc1cc2CC[C@H](NC(C)=O)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC
Show InChI InChI=1S/C22H25NO6/c1-12(24)23-16-8-6-13-10-19(27-3)21(28-4)22(29-5)20(13)14-7-9-18(26-2)17(25)11-15(14)16/h7,9-11,16H,6,8H2,1-5H3,(H,23,24)/t16-/m0/s1
MMDB

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n/an/an/an/a 750n/an/an/an/a



Rohm and Haas Company

Curated by ChEMBL


Assay Description
Inhibition of Bos taurus (bovine) brain tubulin polymerization


Bioorg Med Chem Lett 11: 1393-6 (2001)

More data for this
Ligand-Target Pair
Tubulin polymerization-promoting protein


(Bos taurus)
BDBM50099943
PNG
(2,3,4,4'-Tetramethoxy-2'-methyl-biphenyl | CHEMBL3...)
Show SMILES COc1ccc(c(C)c1)-c1ccc(OC)c(OC)c1OC
Show InChI InChI=1S/C17H20O4/c1-11-10-12(18-2)6-7-13(11)14-8-9-15(19-3)17(21-5)16(14)20-4/h6-10H,1-5H3
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n/an/an/an/a 6.25E+3n/an/an/an/a



Rohm and Haas Company

Curated by ChEMBL


Assay Description
Inhibition of Bos taurus (bovine) brain tubulin polymerization


Bioorg Med Chem Lett 11: 1393-6 (2001)

More data for this
Ligand-Target Pair
Tubulin polymerization-promoting protein


(Bos taurus)
BDBM50099941
PNG
(4,2',3',4'-Tetramethoxy-biphenyl-2-carbonitrile | ...)
Show SMILES COc1ccc(c(c1)C#N)-c1ccc(OC)c(OC)c1OC
Show InChI InChI=1S/C17H17NO4/c1-19-12-5-6-13(11(9-12)10-18)14-7-8-15(20-2)17(22-4)16(14)21-3/h5-9H,1-4H3
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n/an/an/an/a 6.25E+3n/an/an/an/a



Rohm and Haas Company

Curated by ChEMBL


Assay Description
Inhibition of Bos taurus (bovine) brain tubulin polymerization


Bioorg Med Chem Lett 11: 1393-6 (2001)

More data for this
Ligand-Target Pair
Tubulin polymerization-promoting protein


(Bos taurus)
BDBM50099940
PNG
(2,3,4,4'-Tetramethoxy-2'-nitro-biphenyl | CHEMBL31...)
Show SMILES COc1ccc(-c2ccc(OC)c(OC)c2OC)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C16H17NO6/c1-20-10-5-6-11(13(9-10)17(18)19)12-7-8-14(21-2)16(23-4)15(12)22-3/h5-9H,1-4H3
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n/an/an/an/a 6.25E+3n/an/an/an/a



Rohm and Haas Company

Curated by ChEMBL


Assay Description
Inhibition of Bos taurus (bovine) brain tubulin polymerization


Bioorg Med Chem Lett 11: 1393-6 (2001)

More data for this
Ligand-Target Pair
Tubulin polymerization-promoting protein


(Bos taurus)
BDBM50099947
PNG
(2,3,4,4'-Tetramethoxy-biphenyl | CHEMBL28250)
Show SMILES COc1ccc(cc1)-c1ccc(OC)c(OC)c1OC
Show InChI InChI=1S/C16H18O4/c1-17-12-7-5-11(6-8-12)13-9-10-14(18-2)16(20-4)15(13)19-3/h5-10H,1-4H3
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n/an/an/an/a 6.25E+3n/an/an/an/a



Rohm and Haas Company

Curated by ChEMBL


Assay Description
Inhibition of Bos taurus (bovine) brain tubulin polymerization


Bioorg Med Chem Lett 11: 1393-6 (2001)

More data for this
Ligand-Target Pair
Tubulin polymerization-promoting protein


(Bos taurus)
BDBM50099939
PNG
(2',3',4'-Trimethoxy-biphenyl-2-carbonitrile | CHEM...)
Show SMILES COc1ccc(c(OC)c1OC)-c1ccccc1C#N
Show InChI InChI=1S/C16H15NO3/c1-18-14-9-8-13(15(19-2)16(14)20-3)12-7-5-4-6-11(12)10-17/h4-9H,1-3H3
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n/an/an/an/a 5.00E+4n/an/an/an/a



Rohm and Haas Company

Curated by ChEMBL


Assay Description
Inhibition of Bos taurus (bovine) brain tubulin polymerization


Bioorg Med Chem Lett 11: 1393-6 (2001)

More data for this
Ligand-Target Pair
Tubulin polymerization-promoting protein


(Bos taurus)
BDBM50099942
PNG
(6-(2,3,4-Trimethoxy-phenyl)-cyclohex-3-enecarbonit...)
Show SMILES COc1ccc(C2CC=CCC2C#N)c(OC)c1OC
Show InChI InChI=1S/C16H19NO3/c1-18-14-9-8-13(15(19-2)16(14)20-3)12-7-5-4-6-11(12)10-17/h4-5,8-9,11-12H,6-7H2,1-3H3
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n/an/an/an/a>1.00E+5n/an/an/an/a



Rohm and Haas Company

Curated by ChEMBL


Assay Description
Inhibition of Bos taurus (bovine) brain tubulin polymerization


Bioorg Med Chem Lett 11: 1393-6 (2001)

More data for this
Ligand-Target Pair
Tubulin polymerization-promoting protein


(Bos taurus)
BDBM50099946
PNG
(1,2,3-Trimethoxy-4-(6-nitro-cyclohex-3-enyl)-benze...)
Show SMILES COc1ccc(C2CC=CC[C@H]2[N+]([O-])=O)c(OC)c1OC
Show InChI InChI=1S/C15H19NO5/c1-19-13-9-8-11(14(20-2)15(13)21-3)10-6-4-5-7-12(10)16(17)18/h4-5,8-10,12H,6-7H2,1-3H3/t10?,12-/m1/s1
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n/an/an/an/a>1.00E+5n/an/an/an/a



Rohm and Haas Company

Curated by ChEMBL


Assay Description
Inhibition of Bos taurus (bovine) brain tubulin polymerization


Bioorg Med Chem Lett 11: 1393-6 (2001)

More data for this
Ligand-Target Pair
Tubulin polymerization-promoting protein


(Bos taurus)
BDBM50099944
PNG
(1-Methoxy-3-((1S,6R)-6-nitro-cyclohex-3-enyl)-benz...)
Show SMILES COc1cccc(c1)[C@@H]1CC=CC[C@H]1[N+]([O-])=O
Show InChI InChI=1S/C13H15NO3/c1-17-11-6-4-5-10(9-11)12-7-2-3-8-13(12)14(15)16/h2-6,9,12-13H,7-8H2,1H3/t12-,13+/m0/s1
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n/an/an/an/a>1.00E+5n/an/an/an/a



Rohm and Haas Company

Curated by ChEMBL


Assay Description
Inhibition of Bos taurus (bovine) brain tubulin polymerization


Bioorg Med Chem Lett 11: 1393-6 (2001)

More data for this
Ligand-Target Pair
Tubulin polymerization-promoting protein


(Bos taurus)
BDBM50099938
PNG
(((1S,6R)-6-Nitro-cyclohex-3-enyl)-benzene | CHEMBL...)
Show SMILES [O-][N+](=O)[C@@H]1CC=CC[C@H]1c1ccccc1
Show InChI InChI=1S/C12H13NO2/c14-13(15)12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-7,11-12H,8-9H2/t11-,12+/m0/s1
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n/an/an/an/a>1.00E+5n/an/an/an/a



Rohm and Haas Company

Curated by ChEMBL


Assay Description
Inhibition of Bos taurus (bovine) brain tubulin polymerization


Bioorg Med Chem Lett 11: 1393-6 (2001)

More data for this
Ligand-Target Pair
Tubulin polymerization-promoting protein


(Bos taurus)
BDBM50099948
PNG
(2,3,4-Trimethoxy-2'-nitro-biphenyl | CHEMBL32021)
Show SMILES COc1ccc(c(OC)c1OC)-c1ccccc1[N+]([O-])=O
Show InChI InChI=1S/C15H15NO5/c1-19-13-9-8-11(14(20-2)15(13)21-3)10-6-4-5-7-12(10)16(17)18/h4-9H,1-3H3
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n/an/an/an/a>1.00E+5n/an/an/an/a



Rohm and Haas Company

Curated by ChEMBL


Assay Description
Inhibition of Bos taurus (bovine) brain tubulin polymerization


Bioorg Med Chem Lett 11: 1393-6 (2001)

More data for this
Ligand-Target Pair