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PubMed code 15658869

Compile data set for download or QSAR
Found 8 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
Tubulin beta-2B chain


(Bos taurus)
BDBM50159568
PNG
(1-Methyl-5-[(Z)-2-(3,4,5-trimethoxy-phenyl)-vinyl]...)
Show SMILES COc1cc(\C=C/c2ccc3n(C)ccc3c2)cc(OC)c1OC
Show InChI InChI=1S/C20H21NO3/c1-21-10-9-16-11-14(7-8-17(16)21)5-6-15-12-18(22-2)20(24-4)19(13-15)23-3/h5-13H,1-4H3/b6-5-
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PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



Universidad de Salamanca

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration value against bovine brain tubulin polymerization


J Med Chem 48: 556-68 (2005)


Article DOI: 10.1021/jm0310737
BindingDB Entry DOI: 10.7270/Q2GB23JK
More data for this
Ligand-Target Pair
Tubulin beta-2B chain


(Bos taurus)
BDBM50159538
PNG
(2-Methoxy-5-((Z)-2-naphthalen-2-yl-vinyl)-phenol |...)
Show SMILES COc1ccc(\C=C/c2ccc3ccccc3c2)cc1O
Show InChI InChI=1S/C19H16O2/c1-21-19-11-9-15(13-18(19)20)7-6-14-8-10-16-4-2-3-5-17(16)12-14/h2-13,20H,1H3/b7-6-
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PubMed
n/an/a 3.00E+3n/an/an/an/an/an/a



Universidad de Salamanca

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration value against bovine brain tubulin polymerization


J Med Chem 48: 556-68 (2005)


Article DOI: 10.1021/jm0310737
BindingDB Entry DOI: 10.7270/Q2GB23JK
More data for this
Ligand-Target Pair
Tubulin beta-2B chain


(Bos taurus)
BDBM50159552
PNG
(9-Methyl-3-[(Z)-2-(3,4,5-trimethoxy-phenyl)-vinyl]...)
Show SMILES COc1cc(\C=C/C2=CC3C(C=C2)N(C)c2ccccc32)cc(OC)c1OC |c:11,t:7|
Show InChI InChI=1S/C24H25NO3/c1-25-20-8-6-5-7-18(20)19-13-16(11-12-21(19)25)9-10-17-14-22(26-2)24(28-4)23(15-17)27-3/h5-15,19,21H,1-4H3/b10-9-
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n/an/a 6.00E+3n/an/an/an/an/an/a



Universidad de Salamanca

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration value against bovine brain tubulin polymerization


J Med Chem 48: 556-68 (2005)


Article DOI: 10.1021/jm0310737
BindingDB Entry DOI: 10.7270/Q2GB23JK
More data for this
Ligand-Target Pair
Tubulin beta-2B chain


(Bos taurus)
BDBM50159583
PNG
(2-[(Z)-2-(3,4,5-Trimethoxy-phenyl)-vinyl]-naphthal...)
Show SMILES COc1cc(\C=C/c2ccc3ccccc3c2)cc(OC)c1OC
Show InChI InChI=1S/C21H20O3/c1-22-19-13-16(14-20(23-2)21(19)24-3)9-8-15-10-11-17-6-4-5-7-18(17)12-15/h4-14H,1-3H3/b9-8-
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n/an/a 1.00E+4n/an/an/an/an/an/a



Universidad de Salamanca

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration value against bovine brain tubulin polymerization


J Med Chem 48: 556-68 (2005)


Article DOI: 10.1021/jm0310737
BindingDB Entry DOI: 10.7270/Q2GB23JK
More data for this
Ligand-Target Pair
Tubulin beta-2B chain


(Bos taurus)
BDBM50159534
PNG
(2-[(Z)-2-(3,4-Dimethoxy-5-nitro-phenyl)-vinyl]-nap...)
Show SMILES COc1cc(\C=C/c2ccc3ccccc3c2)cc(c1OC)[N+]([O-])=O
Show InChI InChI=1S/C20H17NO4/c1-24-19-13-15(12-18(21(22)23)20(19)25-2)8-7-14-9-10-16-5-3-4-6-17(16)11-14/h3-13H,1-2H3/b8-7-
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n/an/a 1.30E+4n/an/an/an/an/an/a



Universidad de Salamanca

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration value against bovine brain tubulin polymerization


J Med Chem 48: 556-68 (2005)


Article DOI: 10.1021/jm0310737
BindingDB Entry DOI: 10.7270/Q2GB23JK
More data for this
Ligand-Target Pair
Tubulin beta-2B chain


(Bos taurus)
BDBM50159562
PNG
(2-Methoxy-5-[(Z)-2-(4-methoxy-naphthalen-2-yl)-vin...)
Show SMILES COc1ccc(\C=C/c2cc(OC)c3ccccc3c2)cc1O
Show InChI InChI=1S/C20H18O3/c1-22-19-10-9-14(12-18(19)21)7-8-15-11-16-5-3-4-6-17(16)20(13-15)23-2/h3-13,21H,1-2H3/b8-7-
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n/an/a 1.60E+4n/an/an/an/an/an/a



Universidad de Salamanca

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration value against bovine brain tubulin polymerization


J Med Chem 48: 556-68 (2005)


Article DOI: 10.1021/jm0310737
BindingDB Entry DOI: 10.7270/Q2GB23JK
More data for this
Ligand-Target Pair
Tubulin beta-2B chain


(Bos taurus)
BDBM50159543
PNG
(5-[(Z)-2-(3,4,5-Trimethoxy-phenyl)-vinyl]-1H-indol...)
Show SMILES COc1cc(\C=C/c2ccc3[nH]ccc3c2)cc(OC)c1OC
Show InChI InChI=1S/C19H19NO3/c1-21-17-11-14(12-18(22-2)19(17)23-3)5-4-13-6-7-16-15(10-13)8-9-20-16/h4-12,20H,1-3H3/b5-4-
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n/an/a 2.50E+4n/an/an/an/an/an/a



Universidad de Salamanca

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration value against bovine brain tubulin polymerization


J Med Chem 48: 556-68 (2005)


Article DOI: 10.1021/jm0310737
BindingDB Entry DOI: 10.7270/Q2GB23JK
More data for this
Ligand-Target Pair
Tubulin beta-2B chain


(Bos taurus)
BDBM50159557
PNG
(1-Methyl-5-[(E)-2-(3,4,5-trimethoxy-phenyl)-vinyl]...)
Show SMILES COc1cc(\C=C\c2ccc3n(C)ccc3c2)cc(OC)c1OC
Show InChI InChI=1S/C20H21NO3/c1-21-10-9-16-11-14(7-8-17(16)21)5-6-15-12-18(22-2)20(24-4)19(13-15)23-3/h5-13H,1-4H3/b6-5+
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PubMed
n/an/a 3.00E+4n/an/an/an/an/an/a



Universidad de Salamanca

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration value against bovine brain tubulin polymerization


J Med Chem 48: 556-68 (2005)


Article DOI: 10.1021/jm0310737
BindingDB Entry DOI: 10.7270/Q2GB23JK
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%