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Compile Data Set for Download or QSAR

Found 12 hits from Ajinomoto Co. Inc.   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50147362
PNG
(CHEMBL330407 | ST-3100)
Show SMILES COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc1N
Show InChI InChI=1S/C18H21NO4/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/h5-11H,19H2,1-4H3/b6-5-
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n/an/a 1.00E+3n/an/an/an/an/an/a



Ajinomoto Co. Inc.

Curated by ChEMBL


Assay Description
Tubulin polymerization inhibitory activity using bovine brain tubulin


Bioorg Med Chem Lett 8: 3153-8 (1998)


Article DOI: 10.1016/s0960-894x(98)00579-4
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50215149
PNG
(CHEMBL108634)
Show SMILES COc1ccc(cc1N)-c1sc(N)nc1-c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C19H21N3O4S/c1-23-13-6-5-10(7-12(13)20)18-16(22-19(21)27-18)11-8-14(24-2)17(26-4)15(9-11)25-3/h5-9H,20H2,1-4H3,(H2,21,22)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Ajinomoto Co. Inc.

Curated by ChEMBL


Assay Description
Tubulin polymerization inhibitory activity using bovine brain tubulin


Bioorg Med Chem Lett 8: 3153-8 (1998)


Article DOI: 10.1016/s0960-894x(98)00579-4
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50215150
PNG
(CHEMBL324397)
Show SMILES COc1ccc(cc1N)-c1nnnn1-c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C17H19N5O4/c1-23-13-6-5-10(7-12(13)18)17-19-20-21-22(17)11-8-14(24-2)16(26-4)15(9-11)25-3/h5-9H,18H2,1-4H3
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n/an/a 2.00E+3n/an/an/an/an/an/a



Ajinomoto Co. Inc.

Curated by ChEMBL


Assay Description
Tubulin polymerization inhibitory activity using bovine brain tubulin


Bioorg Med Chem Lett 8: 3153-8 (1998)


Article DOI: 10.1016/s0960-894x(98)00579-4
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50215145
PNG
(CHEMBL322529)
Show SMILES COc1ccc(cc1N)-c1sc(C)nc1-c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C20H22N2O4S/c1-11-22-18(13-9-16(24-3)19(26-5)17(10-13)25-4)20(27-11)12-6-7-15(23-2)14(21)8-12/h6-10H,21H2,1-5H3
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n/an/a 2.00E+3n/an/an/an/an/an/a



Ajinomoto Co. Inc.

Curated by ChEMBL


Assay Description
Tubulin polymerization inhibitory activity using bovine brain tubulin


Bioorg Med Chem Lett 8: 3153-8 (1998)


Article DOI: 10.1016/s0960-894x(98)00579-4
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50215143
PNG
(CHEMBL110326)
Show SMILES COc1ccc(cc1N)-c1sc(NN)nc1-c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C19H22N4O4S/c1-24-13-6-5-10(7-12(13)20)18-16(22-19(23-21)28-18)11-8-14(25-2)17(27-4)15(9-11)26-3/h5-9H,20-21H2,1-4H3,(H,22,23)
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n/an/a 3.00E+3n/an/an/an/an/an/a



Ajinomoto Co. Inc.

Curated by ChEMBL


Assay Description
Tubulin polymerization inhibitory activity using bovine brain tubulin


Bioorg Med Chem Lett 8: 3153-8 (1998)


Article DOI: 10.1016/s0960-894x(98)00579-4
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50215151
PNG
(CHEMBL107416)
Show SMILES COc1ccc(cc1N)-c1scnc1-c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C19H20N2O4S/c1-22-14-6-5-11(7-13(14)20)19-17(21-10-26-19)12-8-15(23-2)18(25-4)16(9-12)24-3/h5-10H,20H2,1-4H3
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n/an/a 3.00E+3n/an/an/an/an/an/a



Ajinomoto Co. Inc.

Curated by ChEMBL


Assay Description
Tubulin polymerization inhibitory activity using bovine brain tubulin


Bioorg Med Chem Lett 8: 3153-8 (1998)


Article DOI: 10.1016/s0960-894x(98)00579-4
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50215153
PNG
(CHEMBL108621)
Show SMILES COc1ccc(cc1N)-c1c[nH]nc1-c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C19H21N3O4/c1-23-15-6-5-11(7-14(15)20)13-10-21-22-18(13)12-8-16(24-2)19(26-4)17(9-12)25-3/h5-10H,20H2,1-4H3,(H,21,22)
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n/an/a 3.00E+3n/an/an/an/an/an/a



Ajinomoto Co. Inc.

Curated by ChEMBL


Assay Description
Tubulin polymerization inhibitory activity using bovine brain tubulin


Bioorg Med Chem Lett 8: 3153-8 (1998)


Article DOI: 10.1016/s0960-894x(98)00579-4
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50215148
PNG
(CHEMBL108518)
Show SMILES COc1ccc(cc1N)-c1nncn1-c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C18H20N4O4/c1-23-14-6-5-11(7-13(14)19)18-21-20-10-22(18)12-8-15(24-2)17(26-4)16(9-12)25-3/h5-10H,19H2,1-4H3
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n/an/a 4.00E+3n/an/an/an/an/an/a



Ajinomoto Co. Inc.

Curated by ChEMBL


Assay Description
Tubulin polymerization inhibitory activity using bovine brain tubulin


Bioorg Med Chem Lett 8: 3153-8 (1998)


Article DOI: 10.1016/s0960-894x(98)00579-4
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50215152
PNG
(CHEMBL320117)
Show SMILES COc1ccc(cc1N)-c1nnc(N)n1-c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C18H21N5O4/c1-24-13-6-5-10(7-12(13)19)17-21-22-18(20)23(17)11-8-14(25-2)16(27-4)15(9-11)26-3/h5-9H,19H2,1-4H3,(H2,20,22)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Ajinomoto Co. Inc.

Curated by ChEMBL


Assay Description
Tubulin polymerization inhibitory activity using bovine brain tubulin


Bioorg Med Chem Lett 8: 3153-8 (1998)


Article DOI: 10.1016/s0960-894x(98)00579-4
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50215146
PNG
(CHEMBL317022)
Show SMILES COc1ccc(cc1N)-c1nnc(C)n1-c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C19H22N4O4/c1-11-21-22-19(12-6-7-15(24-2)14(20)8-12)23(11)13-9-16(25-3)18(27-5)17(10-13)26-4/h6-10H,20H2,1-5H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Ajinomoto Co. Inc.

Curated by ChEMBL


Assay Description
Tubulin polymerization inhibitory activity using bovine brain tubulin


Bioorg Med Chem Lett 8: 3153-8 (1998)


Article DOI: 10.1016/s0960-894x(98)00579-4
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50215144
PNG
(CHEMBL322532)
Show SMILES COc1ccc(cc1N)-c1c([nH]nc1[Si](C)(C)C)-c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C22H29N3O4Si/c1-26-16-9-8-13(10-15(16)23)19-20(24-25-22(19)30(5,6)7)14-11-17(27-2)21(29-4)18(12-14)28-3/h8-12H,23H2,1-7H3,(H,24,25)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Ajinomoto Co. Inc.

Curated by ChEMBL


Assay Description
Tubulin polymerization inhibitory activity using bovine brain tubulin


Bioorg Med Chem Lett 8: 3153-8 (1998)


Article DOI: 10.1016/s0960-894x(98)00579-4
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50215147
PNG
(CHEMBL107424)
Show SMILES COc1ccc(cc1N)-c1nnc(O)n1-c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C18H20N4O5/c1-24-13-6-5-10(7-12(13)19)17-20-21-18(23)22(17)11-8-14(25-2)16(27-4)15(9-11)26-3/h5-9H,19H2,1-4H3,(H,21,23)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Ajinomoto Co. Inc.

Curated by ChEMBL


Assay Description
Tubulin polymerization inhibitory activity using bovine brain tubulin


Bioorg Med Chem Lett 8: 3153-8 (1998)


Article DOI: 10.1016/s0960-894x(98)00579-4
More data for this
Ligand-Target Pair