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PubMed code 2913301

Compile data set for download or QSAR
Found 17 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))
BDBM50020475
PNG
(CHEMBL341192 | [7-Methyl-5-(thiophene-2-carbonyl)-...)
Show SMILES COC(=O)Nc1nc2c(C)cc(cc2[nH]1)C(=O)c1cccs1
Show InChI InChI=1S/C15H13N3O3S/c1-8-6-9(13(19)11-4-3-5-22-11)7-10-12(8)17-14(16-10)18-15(20)21-2/h3-7H,1-2H3,(H2,16,17,18,20)
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n/an/a 860n/an/an/an/an/an/a



Smith Kline & French Laboratories

Curated by ChEMBL


Assay Description
Displacement of 5.8 uM [3H]-oncodazole from homogeneous tubulin.


J Med Chem 32: 409-17 (1989)


BindingDB Entry DOI: 10.7270/Q2125RN4
More data for this
Ligand-Target Pair
Tubulin alpha-1A chain


(Sus scrofa (Pig))
BDBM50020464
PNG
(CHEMBL135161 | [5-(2-Methoxycarbonylamino-1H-benzo...)
Show SMILES CCOC(=O)Cc1csc(c1)C(=O)c1ccc2nc(NC(=O)OC)[nH]c2c1
Show InChI InChI=1S/C18H17N3O5S/c1-3-26-15(22)7-10-6-14(27-9-10)16(23)11-4-5-12-13(8-11)20-17(19-12)21-18(24)25-2/h4-6,8-9H,3,7H2,1-2H3,(H2,19,20,21,24)
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n/an/a 880n/an/an/an/an/an/a



Smith Kline & French Laboratories

Curated by ChEMBL


Assay Description
Displacement of 5.8 uM [3H]-oncodazole from homogeneous tubulin.


J Med Chem 32: 409-17 (1989)


BindingDB Entry DOI: 10.7270/Q2125RN4
More data for this
Ligand-Target Pair
Tubulin alpha-1A chain


(Sus scrofa (Pig))
BDBM50020463
PNG
(Benzoic acid 5-(2-methoxycarbonylamino-1H-benzoimi...)
Show SMILES COC(=O)Nc1nc2ccc(cc2[nH]1)C(=O)c1cc(COC(=O)c2ccccc2)cs1
Show InChI InChI=1S/C22H17N3O5S/c1-29-22(28)25-21-23-16-8-7-15(10-17(16)24-21)19(26)18-9-13(12-31-18)11-30-20(27)14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H2,23,24,25,28)
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n/an/a 1.95E+3n/an/an/an/an/an/a



Smith Kline & French Laboratories

Curated by ChEMBL


Assay Description
Displacement of 5.8 uM [3H]-oncodazole from homogeneous tubulin.


J Med Chem 32: 409-17 (1989)


BindingDB Entry DOI: 10.7270/Q2125RN4
More data for this
Ligand-Target Pair
Tubulin alpha-1A chain


(Sus scrofa (Pig))
BDBM50020478
PNG
(CHEMBL133799 | [5-(4-Cyanomethyl-thiophene-2-carbo...)
Show SMILES COC(=O)Nc1nc2ccc(cc2[nH]1)C(=O)c1cc(CC#N)cs1
Show InChI InChI=1S/C16H12N4O3S/c1-23-16(22)20-15-18-11-3-2-10(7-12(11)19-15)14(21)13-6-9(4-5-17)8-24-13/h2-3,6-8H,4H2,1H3,(H2,18,19,20,22)
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n/an/a 2.90E+3n/an/an/an/an/an/a



Smith Kline & French Laboratories

Curated by ChEMBL


Assay Description
Displacement of 5.8 uM [3H]-oncodazole from homogeneous tubulin.


J Med Chem 32: 409-17 (1989)


BindingDB Entry DOI: 10.7270/Q2125RN4
More data for this
Ligand-Target Pair
Tubulin alpha-1A chain


(Sus scrofa (Pig))
BDBM50020459
PNG
(CHEMBL336862 | [5-(2-Methoxycarbonylamino-1H-benzo...)
Show SMILES COC(=O)Cc1csc(c1)C(=O)c1ccc2nc(NC(=O)OC)[nH]c2c1
Show InChI InChI=1S/C17H15N3O5S/c1-24-14(21)6-9-5-13(26-8-9)15(22)10-3-4-11-12(7-10)19-16(18-11)20-17(23)25-2/h3-5,7-8H,6H2,1-2H3,(H2,18,19,20,23)
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n/an/a 5.00E+3n/an/an/an/an/an/a



Smith Kline & French Laboratories

Curated by ChEMBL


Assay Description
Displacement of 5.8 uM [3H]-oncodazole from homogeneous tubulin.


J Med Chem 32: 409-17 (1989)


BindingDB Entry DOI: 10.7270/Q2125RN4
More data for this
Ligand-Target Pair
Tubulin alpha-1A chain


(Sus scrofa (Pig))
BDBM50020480
PNG
(CHEMBL422615 | [5-(2-Methoxycarbonylamino-1H-benzo...)
Show SMILES COC(=O)Nc1nc2ccc(cc2[nH]1)C(=O)c1cc(CC(=O)OCc2ccccc2)cs1
Show InChI InChI=1S/C23H19N3O5S/c1-30-23(29)26-22-24-17-8-7-16(11-18(17)25-22)21(28)19-9-15(13-32-19)10-20(27)31-12-14-5-3-2-4-6-14/h2-9,11,13H,10,12H2,1H3,(H2,24,25,26,29)
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n/an/a 5.20E+3n/an/an/an/an/an/a



Smith Kline & French Laboratories

Curated by ChEMBL


Assay Description
Displacement of 5.8 uM [3H]-oncodazole from homogeneous tubulin.


J Med Chem 32: 409-17 (1989)


BindingDB Entry DOI: 10.7270/Q2125RN4
More data for this
Ligand-Target Pair
Tubulin alpha-1A chain


(Sus scrofa (Pig))
BDBM97233
PNG
(CHEMBL9514 | MLS001164242 | N-[6-(2-thenoyl)-1H-be...)
Show SMILES COC(=O)Nc1nc2ccc(cc2[nH]1)C(=O)c1cccs1
Show InChI InChI=1S/C14H11N3O3S/c1-20-14(19)17-13-15-9-5-4-8(7-10(9)16-13)12(18)11-3-2-6-21-11/h2-7H,1H3,(H2,15,16,17,19)
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n/an/a 5.70E+3n/an/an/an/an/an/a



Smith Kline & French Laboratories

Curated by ChEMBL


Assay Description
Displacement of 5.8 uM [3H]-oncodazole from homogeneous tubulin.


J Med Chem 32: 409-17 (1989)


BindingDB Entry DOI: 10.7270/Q2125RN4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tubulin alpha-1A chain


(Sus scrofa (Pig))
BDBM50020479
PNG
(CHEMBL133900 | [5-(2-Methoxycarbonylamino-1H-benzo...)
Show SMILES COC(=O)Nc1nc2ccc(cc2[nH]1)C(=O)c1cc(CC(=O)OC(C)(C)C)cs1
Show InChI InChI=1S/C20H21N3O5S/c1-20(2,3)28-16(24)8-11-7-15(29-10-11)17(25)12-5-6-13-14(9-12)22-18(21-13)23-19(26)27-4/h5-7,9-10H,8H2,1-4H3,(H2,21,22,23,26)
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n/an/a 7.50E+3n/an/an/an/an/an/a



Smith Kline & French Laboratories

Curated by ChEMBL


Assay Description
Displacement of 5.8 uM [3H]-oncodazole from homogeneous tubulin.


J Med Chem 32: 409-17 (1989)


BindingDB Entry DOI: 10.7270/Q2125RN4
More data for this
Ligand-Target Pair
Tubulin alpha-1A chain


(Sus scrofa (Pig))
BDBM50020460
PNG
(2,2,2-Trifluoro-1-[5-(2-methoxycarbonylamino-1H-be...)
Show SMILES COC(=O)Nc1nc2ccc(cc2[nH]1)C(=O)c1cc(cs1)C([N+]#N)C(F)(F)F
Show InChI InChI=1S/C16H10F3N5O3S/c1-27-15(26)23-14-21-9-3-2-7(4-10(9)22-14)12(25)11-5-8(6-28-11)13(24-20)16(17,18)19/h2-6,13,20H,1H3/p+1
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n/an/a 8.30E+3n/an/an/an/an/an/a



Smith Kline & French Laboratories

Curated by ChEMBL


Assay Description
Displacement of 5.8 uM [3H]-oncodazole from homogeneous tubulin.


J Med Chem 32: 409-17 (1989)


BindingDB Entry DOI: 10.7270/Q2125RN4
More data for this
Ligand-Target Pair
Tubulin alpha-1A chain


(Sus scrofa (Pig))
BDBM50020461
PNG
(CHEMBL422269 | [5-(Thiophene-2-carbonyl)-1H-benzoi...)
Show SMILES CC(C)OC(=O)Nc1nc2ccc(cc2[nH]1)C(=O)c1cccs1
Show InChI InChI=1S/C16H15N3O3S/c1-9(2)22-16(21)19-15-17-11-6-5-10(8-12(11)18-15)14(20)13-4-3-7-23-13/h3-9H,1-2H3,(H2,17,18,19,21)
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n/an/a 1.40E+4n/an/an/an/an/an/a



Smith Kline & French Laboratories

Curated by ChEMBL


Assay Description
Displacement of 5.8 uM [3H]-oncodazole from homogeneous tubulin.


J Med Chem 32: 409-17 (1989)


BindingDB Entry DOI: 10.7270/Q2125RN4
More data for this
Ligand-Target Pair
Tubulin alpha-1A chain


(Sus scrofa (Pig))
BDBM50020469
PNG
(CHEMBL134616 | {5-[4-(2,2,2-Trifluoro-acetyl)-thio...)
Show SMILES COC(=O)Nc1nc2ccc(cc2[nH]1)C(=O)c1cc(cs1)C(=O)C(F)(F)F
Show InChI InChI=1S/C16H10F3N3O4S/c1-26-15(25)22-14-20-9-3-2-7(4-10(9)21-14)12(23)11-5-8(6-27-11)13(24)16(17,18)19/h2-6H,1H3,(H2,20,21,22,25)
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n/an/a 1.60E+4n/an/an/an/an/an/a



Smith Kline & French Laboratories

Curated by ChEMBL


Assay Description
Displacement of 5.8 uM [3H]-oncodazole from homogeneous tubulin.


J Med Chem 32: 409-17 (1989)


BindingDB Entry DOI: 10.7270/Q2125RN4
More data for this
Ligand-Target Pair
Tubulin alpha-1A chain


(Sus scrofa (Pig))
BDBM50020474
PNG
(CHEMBL133155 | [5-(4-Methyl-thiophene-2-carbonyl)-...)
Show SMILES COC(=O)Nc1nc2ccc(cc2[nH]1)C(=O)c1cc(C)cs1
Show InChI InChI=1S/C15H13N3O3S/c1-8-5-12(22-7-8)13(19)9-3-4-10-11(6-9)17-14(16-10)18-15(20)21-2/h3-7H,1-2H3,(H2,16,17,18,20)
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n/an/a 1.76E+4n/an/an/an/an/an/a



Smith Kline & French Laboratories

Curated by ChEMBL


Assay Description
Displacement of 5.8 uM [3H]-oncodazole from homogeneous tubulin.


J Med Chem 32: 409-17 (1989)


BindingDB Entry DOI: 10.7270/Q2125RN4
More data for this
Ligand-Target Pair
Tubulin alpha-1A chain


(Sus scrofa (Pig))
BDBM50020455
PNG
(CHEMBL130090 | [5-(4-Hydroxymethyl-thiophene-2-car...)
Show SMILES COC(=O)Nc1nc2ccc(cc2[nH]1)C(=O)c1cc(CO)cs1
Show InChI InChI=1S/C15H13N3O4S/c1-22-15(21)18-14-16-10-3-2-9(5-11(10)17-14)13(20)12-4-8(6-19)7-23-12/h2-5,7,19H,6H2,1H3,(H2,16,17,18,21)
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n/an/a 2.20E+4n/an/an/an/an/an/a



Smith Kline & French Laboratories

Curated by ChEMBL


Assay Description
Displacement of 5.8 uM [3H]-oncodazole from homogeneous tubulin.


J Med Chem 32: 409-17 (1989)


BindingDB Entry DOI: 10.7270/Q2125RN4
More data for this
Ligand-Target Pair
Tubulin alpha-1A chain


(Sus scrofa (Pig))
BDBM50020454
PNG
(CHEMBL133877 | {5-[4-(tert-Butoxycarbonylamino-met...)
Show SMILES COC(=O)Nc1nc2ccc(cc2[nH]1)C(=O)c1cc(CNC(=O)OC(C)(C)C)cs1
Show InChI InChI=1S/C20H22N4O5S/c1-20(2,3)29-18(26)21-9-11-7-15(30-10-11)16(25)12-5-6-13-14(8-12)23-17(22-13)24-19(27)28-4/h5-8,10H,9H2,1-4H3,(H,21,26)(H2,22,23,24,27)
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n/an/a 2.33E+4n/an/an/an/an/an/a



Smith Kline & French Laboratories

Curated by ChEMBL


Assay Description
Displacement of 5.8 uM [3H]-oncodazole from homogeneous tubulin.


J Med Chem 32: 409-17 (1989)


BindingDB Entry DOI: 10.7270/Q2125RN4
More data for this
Ligand-Target Pair
Tubulin alpha-1A chain


(Sus scrofa (Pig))
BDBM50020473
PNG
(CHEMBL135796 | [4-Methyl-5-(thiophene-2-carbonyl)-...)
Show SMILES COC(=O)Nc1nc2ccc(C(=O)c3cccs3)c(C)c2[nH]1
Show InChI InChI=1S/C15H13N3O3S/c1-8-9(13(19)11-4-3-7-22-11)5-6-10-12(8)17-14(16-10)18-15(20)21-2/h3-7H,1-2H3,(H2,16,17,18,20)
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n/an/a 1.06E+5n/an/an/an/an/an/a



Smith Kline & French Laboratories

Curated by ChEMBL


Assay Description
Displacement of 5.8 uM [3H]-oncodazole from homogeneous tubulin.


J Med Chem 32: 409-17 (1989)


BindingDB Entry DOI: 10.7270/Q2125RN4
More data for this
Ligand-Target Pair
Tubulin alpha-1A chain


(Sus scrofa (Pig))
BDBM50020472
PNG
(CHEMBL336324 | [5-(4-Aminomethyl-thiophene-2-carbo...)
Show SMILES COC(=O)Nc1nc2ccc(cc2[nH]1)C(=O)c1cc(CN)cs1
Show InChI InChI=1S/C15H14N4O3S/c1-22-15(21)19-14-17-10-3-2-9(5-11(10)18-14)13(20)12-4-8(6-16)7-23-12/h2-5,7H,6,16H2,1H3,(H2,17,18,19,21)
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n/an/a 1.20E+5n/an/an/an/an/an/a



Smith Kline & French Laboratories

Curated by ChEMBL


Assay Description
Displacement of 5.8 uM [3H]-oncodazole from homogeneous tubulin.


J Med Chem 32: 409-17 (1989)


BindingDB Entry DOI: 10.7270/Q2125RN4
More data for this
Ligand-Target Pair
Tubulin alpha-1A chain


(Sus scrofa (Pig))
BDBM50020468
PNG
(CHEMBL130169 | [5-(2-Methoxycarbonylamino-1H-benzo...)
Show SMILES COC(=O)Nc1nc2ccc(cc2[nH]1)C(=O)c1cc(CC(O)=O)cs1
Show InChI InChI=1S/C16H13N3O5S/c1-24-16(23)19-15-17-10-3-2-9(6-11(10)18-15)14(22)12-4-8(7-25-12)5-13(20)21/h2-4,6-7H,5H2,1H3,(H,20,21)(H2,17,18,19,23)
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n/an/a 4.42E+5n/an/an/an/an/an/a



Smith Kline & French Laboratories

Curated by ChEMBL


Assay Description
Displacement of 5.8 uM [3H]-oncodazole from homogeneous tubulin.


J Med Chem 32: 409-17 (1989)


BindingDB Entry DOI: 10.7270/Q2125RN4
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%