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PubMed code 11527727

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 alpha-1A chain


(Sus scrofa (Pig))
BDBM50103820
PNG
(CHEMBL309058 | [2-(3-Hydroxy-4-methoxy-phenyl)-thi...)
Show SMILES COc1ccc(cc1O)-c1sccc1C(=O)c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C21H20O6S/c1-24-16-6-5-12(9-15(16)22)21-14(7-8-28-21)19(23)13-10-17(25-2)20(27-4)18(11-13)26-3/h5-11,22H,1-4H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



Australian National University

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of tubulin polymerization


Bioorg Med Chem Lett 11: 2341-3 (2001)


BindingDB Entry DOI: 10.7270/Q2WH2P8G
More data for this
Ligand-Target Pair
Tubulin alpha-1A chain


(Sus scrofa (Pig))
BDBM50005480
PNG
((-)-combretastatin | (Z)-3'-hydroxy-3,4,4',5-tetra...)
Show SMILES COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc1O
Show InChI InChI=1S/C18H20O5/c1-20-15-8-7-12(9-14(15)19)5-6-13-10-16(21-2)18(23-4)17(11-13)22-3/h5-11,19H,1-4H3/b6-5-
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PDB
PubMed
n/an/a 2.10E+3n/an/an/an/an/an/a



Australian National University

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of tubulin polymerization


Bioorg Med Chem Lett 11: 2341-3 (2001)


BindingDB Entry DOI: 10.7270/Q2WH2P8G
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tubulin alpha-1A chain


(Sus scrofa (Pig))
BDBM50103821
PNG
(CHEMBL310038 | [2-(3-Hydroxy-4-methoxy-phenyl)-6-m...)
Show SMILES COc1ccc2c(C(=O)c3cc(OC)c(OC)c(OC)c3)c(sc2c1)-c1ccc(OC)c(O)c1
Show InChI InChI=1S/C26H24O7S/c1-29-16-7-8-17-22(13-16)34-26(14-6-9-19(30-2)18(27)10-14)23(17)24(28)15-11-20(31-3)25(33-5)21(12-15)32-4/h6-13,27H,1-5H3
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PubMed
n/an/a 3.40E+3n/an/an/an/an/an/a



Australian National University

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of tubulin polymerization


Bioorg Med Chem Lett 11: 2341-3 (2001)


BindingDB Entry DOI: 10.7270/Q2WH2P8G
More data for this
Ligand-Target Pair
Tubulin alpha-1A chain


(Sus scrofa (Pig))
BDBM50103822
PNG
(2-Methoxy-5-[3-(3,4,5-trimethoxy-phenyl)-4,5-dihyd...)
Show SMILES COc1ccc(cc1O)C1=C(CCS1)c1cc(OC)c(OC)c(OC)c1 |t:10|
Show InChI InChI=1S/C20H22O5S/c1-22-16-6-5-12(9-15(16)21)20-14(7-8-26-20)13-10-17(23-2)19(25-4)18(11-13)24-3/h5-6,9-11,21H,7-8H2,1-4H3
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n/an/a 3.60E+3n/an/an/an/an/an/a



Australian National University

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of tubulin polymerization


Bioorg Med Chem Lett 11: 2341-3 (2001)


BindingDB Entry DOI: 10.7270/Q2WH2P8G
More data for this
Ligand-Target Pair
Tubulin alpha-1A chain


(Sus scrofa (Pig))
BDBM50103819
PNG
(5-{Hydroxy-[6-methoxy-2-(3,4,5-trimethoxy-phenyl)-...)
Show SMILES COc1ccc2c(C(O)c3ccc(OC)c(O)c3)c(sc2c1)-c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C26H26O7S/c1-29-16-7-8-17-22(13-16)34-26(15-11-20(31-3)25(33-5)21(12-15)32-4)23(17)24(28)14-6-9-19(30-2)18(27)10-14/h6-13,24,27-28H,1-5H3
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n/an/a 6.10E+3n/an/an/an/an/an/a



Australian National University

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of tubulin polymerization


Bioorg Med Chem Lett 11: 2341-3 (2001)


BindingDB Entry DOI: 10.7270/Q2WH2P8G
More data for this
Ligand-Target Pair
Tubulin alpha-1A chain


(Sus scrofa (Pig))
BDBM50103824
PNG
(5-{Hydroxy-[2-(3,4,5-trimethoxy-phenyl)-thiophen-3...)
Show SMILES COc1ccc(cc1O)C(O)c1ccsc1-c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C21H22O6S/c1-24-16-6-5-12(9-15(16)22)19(23)14-7-8-28-21(14)13-10-17(25-2)20(27-4)18(11-13)26-3/h5-11,19,22-23H,1-4H3
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n/an/a 8.80E+3n/an/an/an/an/an/a



Australian National University

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of tubulin polymerization


Bioorg Med Chem Lett 11: 2341-3 (2001)


BindingDB Entry DOI: 10.7270/Q2WH2P8G
More data for this
Ligand-Target Pair
Tubulin alpha-1A chain


(Sus scrofa (Pig))
BDBM50103823
PNG
((6-methoxy-2-(4-methoxyphenyl)benzo[b]thiophen-3-y...)
Show SMILES COc1ccc(cc1)-c1sc2cc(OC)ccc2c1C(=O)c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C26H24O6S/c1-28-17-8-6-15(7-9-17)26-23(19-11-10-18(29-2)14-22(19)33-26)24(27)16-12-20(30-3)25(32-5)21(13-16)31-4/h6-14H,1-5H3
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PubMed
n/an/a>4.00E+4n/an/an/an/an/an/a



Australian National University

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of tubulin polymerization


Bioorg Med Chem Lett 11: 2341-3 (2001)


BindingDB Entry DOI: 10.7270/Q2WH2P8G
More data for this
Ligand-Target Pair
Tubulin alpha-1A chain


(Sus scrofa (Pig))
BDBM50103825
PNG
((3-Hydroxy-4-methoxy-phenyl)-[2-(3,4,5-trimethoxy-...)
Show SMILES COc1ccc(cc1O)C(=O)c1ccsc1-c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C21H20O6S/c1-24-16-6-5-12(9-15(16)22)19(23)14-7-8-28-21(14)13-10-17(25-2)20(27-4)18(11-13)26-3/h5-11,22H,1-4H3
PDB
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UniProtKB/SwissProt

B.MOAD
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a>4.00E+4n/an/an/an/an/an/a



Australian National University

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of tubulin polymerization


Bioorg Med Chem Lett 11: 2341-3 (2001)


BindingDB Entry DOI: 10.7270/Q2WH2P8G
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%