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PubMed code 11425534

Compile data set for download or QSAR
Found 5 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))		BDBM50101086
PNG
(CHEMBL20684 | E-7010 | N-(2-(4-hydroxyphenylamino)...)
Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1cccnc1Nc1ccc(O)cc1
Show InChI InChI=1S/C18H17N3O4S/c1-25-15-8-10-16(11-9-15)26(23,24)21-17-3-2-12-19-18(17)20-13-4-6-14(22)7-5-13/h2-12,21-22H,1H3,(H,19,20)
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n/an/a 3.10E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Concentration inhibiting tubulin polymerization

Bioorg Med Chem Lett 11: 1671-3 (2001)


BindingDB Entry DOI: 10.7270/Q2ZS2VSN
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Tubulin alpha-1A chain


(Sus scrofa (Pig))		BDBM50101087
PNG
(4-Methoxy-benzenesulfonic acid 2-((E)-2-pyridin-4-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)Oc1ccccc1\C=C\c1ccncc1
Show InChI InChI=1S/C20H17NO4S/c1-24-18-8-10-19(11-9-18)26(22,23)25-20-5-3-2-4-17(20)7-6-16-12-14-21-15-13-16/h2-15H,1H3/b7-6+
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n/an/a 3.46E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Concentration inhibiting tubulin polymerization

Bioorg Med Chem Lett 11: 1671-3 (2001)


BindingDB Entry DOI: 10.7270/Q2ZS2VSN
More data for this
Ligand-Target Pair
Tubulin alpha-1A chain


(Sus scrofa (Pig))		BDBM50101098
PNG
(4-Methoxy-benzenesulfonic acid 2-[(pyridine-4-carb...)
Show SMILES COc1ccc(cc1)S(=O)(=O)Oc1ccccc1NC(=O)c1ccncc1
Show InChI InChI=1S/C19H16N2O5S/c1-25-15-6-8-16(9-7-15)27(23,24)26-18-5-3-2-4-17(18)21-19(22)14-10-12-20-13-11-14/h2-13H,1H3,(H,21,22)
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PubMed
n/an/a 3.73E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Concentration inhibiting tubulin polymerization

Bioorg Med Chem Lett 11: 1671-3 (2001)


BindingDB Entry DOI: 10.7270/Q2ZS2VSN
More data for this
Ligand-Target Pair
Tubulin alpha-1A chain


(Sus scrofa (Pig))		BDBM50101093
PNG
(4-Methoxy-benzenesulfonic acid 2-[(pyridine-2-carb...)
Show SMILES COc1ccc(cc1)S(=O)(=O)Oc1ccccc1NC(=O)c1ccccn1
Show InChI InChI=1S/C19H16N2O5S/c1-25-14-9-11-15(12-10-14)27(23,24)26-18-8-3-2-6-16(18)21-19(22)17-7-4-5-13-20-17/h2-13H,1H3,(H,21,22)
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n/an/a 4.06E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Concentration inhibiting tubulin polymerization

Bioorg Med Chem Lett 11: 1671-3 (2001)


BindingDB Entry DOI: 10.7270/Q2ZS2VSN
More data for this
Ligand-Target Pair
Tubulin alpha-1A chain


(Sus scrofa (Pig))		BDBM50101085
PNG
(4-Methoxy-benzenesulfonic acid 2-[(pyrazine-2-carb...)
Show SMILES COc1ccc(cc1)S(=O)(=O)Oc1ccccc1NC(=O)c1cnccn1
Show InChI InChI=1S/C18H15N3O5S/c1-25-13-6-8-14(9-7-13)27(23,24)26-17-5-3-2-4-15(17)21-18(22)16-12-19-10-11-20-16/h2-12H,1H3,(H,21,22)
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n/an/a 5.20E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Concentration inhibiting tubulin polymerization

Bioorg Med Chem Lett 11: 1671-3 (2001)


BindingDB Entry DOI: 10.7270/Q2ZS2VSN
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%