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Compile Data Set for Download or QSAR

Found 9 hits Enz. Inhib. hit(s) with all data for entry = 50003752   
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 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 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 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 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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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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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)
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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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)
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