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Compile Data Set for Download or QSAR

Found 44 hits with Last Name = 'hatanaka' and Initial = 't'   
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
Fatty acid-binding protein, adipocyte


(Homo sapiens (Human))		BDBM50177675
PNG
(CHEMBL3814634)
Show SMILES CC(C)Oc1cccc(c1)-c1c(-c2c(C)n[nH]c2C)c2cc(ccc2n1CCC(O)=O)C1CC1 |(9.68,3.39,;8.99,2.37,;9.53,1.26,;7.45,2.48,;6.59,1.2,;7.27,-.19,;6.41,-1.46,;4.87,-1.36,;4.2,.03,;5.05,1.3,;2.66,.02,;1.76,-1.24,;2.24,-2.7,;3.66,-3.26,;4.7,-2.6,;3.55,-4.79,;2.05,-5.16,;1.24,-3.85,;.01,-3.75,;.3,-.77,;-1.03,-1.55,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;.3,.77,;1.76,1.24,;2.24,2.7,;3.75,3.01,;4.23,4.48,;3.41,5.4,;5.43,4.73,;-3.71,-1.53,;-4.4,-2.82,;-5.17,-1.49,)|
Show InChI InChI=1S/C28H31N3O3/c1-16(2)34-22-7-5-6-21(14-22)28-27(26-17(3)29-30-18(26)4)23-15-20(19-8-9-19)10-11-24(23)31(28)13-12-25(32)33/h5-7,10-11,14-16,19H,8-9,12-13H2,1-4H3,(H,29,30)(H,32,33)
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 30n/an/an/an/an/an/an/an/a



Ajinomoto Co., Inc.

Curated by ChEMBL


Assay Description
Binding affinity to His-tagged human recombinant FABP4 expressed in Escherichia coli BL21 (DE3) by fluorescence assay

ACS Med Chem Lett 7: 435-9 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00040
BindingDB Entry DOI: 10.7270/Q2RX9F0J
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Fatty acid-binding protein, adipocyte


(Homo sapiens (Human))		BDBM50177674
PNG
(CHEMBL3813892)
Show SMILES COc1cnccc1-c1c(-c2ccccc2)n(CCC(O)=O)c2ccc(cc12)C1CC1 |(6.01,-2.39,;4.83,-2.05,;3.72,-3.12,;4.09,-4.62,;2.98,-5.68,;1.5,-5.26,;1.13,-3.76,;2.24,-2.7,;1.76,-1.24,;2.66,.02,;4.2,.03,;5.05,1.3,;6.59,1.2,;7.27,-.19,;6.41,-1.46,;4.87,-1.36,;1.76,1.24,;2.24,2.7,;3.75,3.01,;4.23,4.48,;3.41,5.4,;5.43,4.73,;.3,.77,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;-3.71,-1.53,;-4.4,-2.82,;-5.17,-1.49,)|
Show InChI InChI=1S/C26H24N2O3/c1-31-23-16-27-13-11-20(23)25-21-15-19(17-7-8-17)9-10-22(21)28(14-12-24(29)30)26(25)18-5-3-2-4-6-18/h2-6,9-11,13,15-17H,7-8,12,14H2,1H3,(H,29,30)
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 100n/an/an/an/an/an/an/an/a



Ajinomoto Co., Inc.

Curated by ChEMBL


Assay Description
Binding affinity to His-tagged human recombinant FABP4 expressed in Escherichia coli BL21 (DE3) by fluorescence assay

ACS Med Chem Lett 7: 435-9 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00040
BindingDB Entry DOI: 10.7270/Q2RX9F0J
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Fatty acid-binding protein, adipocyte


(Homo sapiens (Human))		BDBM50177673
PNG
(CHEMBL3814575)
Show SMILES OC(=O)CCn1c(c(-c2ccccc2)c2cc(ccc12)C1CC1)-c1ccccc1
Show InChI InChI=1S/C26H23NO2/c28-24(29)15-16-27-23-14-13-21(18-11-12-18)17-22(23)25(19-7-3-1-4-8-19)26(27)20-9-5-2-6-10-20/h1-10,13-14,17-18H,11-12,15-16H2,(H,28,29)
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 120n/an/an/an/an/an/an/an/a



Ajinomoto Co., Inc.

Curated by ChEMBL


Assay Description
Binding affinity to His-tagged human recombinant FABP4 expressed in Escherichia coli BL21 (DE3) by fluorescence assay

ACS Med Chem Lett 7: 435-9 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00040
BindingDB Entry DOI: 10.7270/Q2RX9F0J
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Fatty acid-binding protein, adipocyte


(Homo sapiens (Human))		BDBM50212873
PNG
(((2'-(5-ETHYL-3,4-DIPHENYL-1H-PYRAZOL-1-YL)-3-BIPH...)
Show SMILES CCc1c(c(nn1-c1ccccc1-c1cccc(OCC(O)=O)c1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C31H26N2O3/c1-2-27-30(22-12-5-3-6-13-22)31(23-14-7-4-8-15-23)32-33(27)28-19-10-9-18-26(28)24-16-11-17-25(20-24)36-21-29(34)35/h3-20H,2,21H2,1H3,(H,34,35)
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 160n/an/an/an/an/an/an/an/a



Ajinomoto Co., Inc.

Curated by ChEMBL


Assay Description
Binding affinity to His-tagged human recombinant FABP4 expressed in Escherichia coli BL21 (DE3) by fluorescence assay

ACS Med Chem Lett 7: 435-9 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00040
BindingDB Entry DOI: 10.7270/Q2RX9F0J
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Fatty acid-binding protein, adipocyte


(Homo sapiens (Human))		BDBM50177672
PNG
(CHEMBL1586017)
Show SMILES OC(=O)CCn1c(cc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C17H15NO2/c19-17(20)10-11-18-15-9-5-4-8-14(15)12-16(18)13-6-2-1-3-7-13/h1-9,12H,10-11H2,(H,19,20)
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>1.40E+3n/an/an/an/an/an/an/an/a



Ajinomoto Co., Inc.

Curated by ChEMBL


Assay Description
Binding affinity to His-tagged human recombinant FABP4 expressed in Escherichia coli BL21 (DE3) by fluorescence assay

ACS Med Chem Lett 7: 435-9 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00040
BindingDB Entry DOI: 10.7270/Q2RX9F0J
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
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)


BindingDB Entry DOI: 10.7270/Q29K4DD4
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)


BindingDB Entry DOI: 10.7270/Q29K4DD4
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)


BindingDB Entry DOI: 10.7270/Q29K4DD4
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)


BindingDB Entry DOI: 10.7270/Q29K4DD4
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)		BDBM50471733
PNG
(CHEMBL319183)
Show SMILES COc1ccc(\C=C(\C(N)=O)c2cc(OC)c(OC)c(OC)c2)cc1N
Show InChI InChI=1S/C19H22N2O5/c1-23-15-6-5-11(8-14(15)20)7-13(19(21)22)12-9-16(24-2)18(26-4)17(10-12)25-3/h5-10H,20H2,1-4H3,(H2,21,22)/b13-7+
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n/an/a 3.00E+3n/an/an/an/an/an/a



Ajinomoto Company Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against tubulin polymerization

J Med Chem 41: 3022-32 (1998)


Article DOI: 10.1021/jm980101w
BindingDB Entry DOI: 10.7270/Q2QV3Q85
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)


BindingDB Entry DOI: 10.7270/Q29K4DD4
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)		BDBM50471746
PNG
(CHEMBL422246)
Show SMILES COc1cc(\C=C/c2ccc(Cl)c(N)c2)cc(OC)c1OC
Show InChI InChI=1S/C17H18ClNO3/c1-20-15-9-12(10-16(21-2)17(15)22-3)5-4-11-6-7-13(18)14(19)8-11/h4-10H,19H2,1-3H3/b5-4-
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n/an/a 3.00E+3n/an/an/an/an/an/a



Ajinomoto Company Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against tubulin polymerization

J Med Chem 41: 3022-32 (1998)


Article DOI: 10.1021/jm980101w
BindingDB Entry DOI: 10.7270/Q2QV3Q85
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)


BindingDB Entry DOI: 10.7270/Q29K4DD4
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)


BindingDB Entry DOI: 10.7270/Q29K4DD4
More data for this
Ligand-Target Pair
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 4.00E+3n/an/an/an/an/an/a



Ajinomoto Company Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against tubulin polymerization

J Med Chem 41: 3022-32 (1998)


Article DOI: 10.1021/jm980101w
BindingDB Entry DOI: 10.7270/Q2QV3Q85
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)		BDBM50471741
PNG
(CHEMBL103333)
Show SMILES COc1cc(\C=C/c2ccc(C)c(N)c2)cc(OC)c1OC
Show InChI InChI=1S/C18H21NO3/c1-12-5-6-13(9-15(12)19)7-8-14-10-16(20-2)18(22-4)17(11-14)21-3/h5-11H,19H2,1-4H3/b8-7-
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n/an/a 4.00E+3n/an/an/an/an/an/a



Ajinomoto Company Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against tubulin polymerization

J Med Chem 41: 3022-32 (1998)


Article DOI: 10.1021/jm980101w
BindingDB Entry DOI: 10.7270/Q2QV3Q85
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)		BDBM50471747
PNG
(CHEMBL102557)
Show SMILES COc1ccc(\C=C(\C=O)c2cc(OC)c(OC)c(OC)c2)cc1
Show InChI InChI=1S/C19H20O5/c1-21-16-7-5-13(6-8-16)9-15(12-20)14-10-17(22-2)19(24-4)18(11-14)23-3/h5-12H,1-4H3/b15-9-
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n/an/a 4.00E+3n/an/an/an/an/an/a



Ajinomoto Company Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against tubulin polymerization

J Med Chem 41: 3022-32 (1998)


Article DOI: 10.1021/jm980101w
BindingDB Entry DOI: 10.7270/Q2QV3Q85
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)		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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n/an/a 4.00E+3n/an/an/an/an/an/a



Ajinomoto Company Ltd.

Curated by ChEMBL


Assay Description
The compound was evaluated for the anti-tubulin activity.

J Med Chem 41: 3022-32 (1998)


Article DOI: 10.1021/jm980101w
BindingDB Entry DOI: 10.7270/Q2QV3Q85
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)


BindingDB Entry DOI: 10.7270/Q29K4DD4
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)		BDBM50471754
PNG
(CHEMBL103062)
Show SMILES COc1ccc(\C=C(\C#N)c2cc(OC)c(OC)c(OC)c2)cc1O
Show InChI InChI=1S/C19H19NO5/c1-22-16-6-5-12(8-15(16)21)7-14(11-20)13-9-17(23-2)19(25-4)18(10-13)24-3/h5-10,21H,1-4H3/b14-7-
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n/an/a 5.00E+3n/an/an/an/an/an/a



Ajinomoto Company Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against tubulin polymerization

J Med Chem 41: 3022-32 (1998)


Article DOI: 10.1021/jm980101w
BindingDB Entry DOI: 10.7270/Q2QV3Q85
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)		BDBM50471750
PNG
(CHEMBL441739)
Show SMILES COc1ccc(\C=C(\C#N)c2cc(OC)c(OC)c(OC)c2)cc1[N+]([O-])=O
Show InChI InChI=1S/C19H18N2O6/c1-24-16-6-5-12(8-15(16)21(22)23)7-14(11-20)13-9-17(25-2)19(27-4)18(10-13)26-3/h5-10H,1-4H3/b14-7-
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Ajinomoto Company Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against tubulin polymerization

J Med Chem 41: 3022-32 (1998)


Article DOI: 10.1021/jm980101w
BindingDB Entry DOI: 10.7270/Q2QV3Q85
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)		BDBM50471736
PNG
(CHEMBL317013)
Show SMILES COc1ccc(cc1N)C(=C/c1cc(OC)c(OC)c(OC)c1)\C#N
Show InChI InChI=1S/C19H20N2O4/c1-22-16-6-5-13(10-15(16)21)14(11-20)7-12-8-17(23-2)19(25-4)18(9-12)24-3/h5-10H,21H2,1-4H3/b14-7-
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Ajinomoto Company Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against tubulin polymerization

J Med Chem 41: 3022-32 (1998)


Article DOI: 10.1021/jm980101w
BindingDB Entry DOI: 10.7270/Q2QV3Q85
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)		BDBM50471751
PNG
(CHEMBL103856)
Show SMILES COc1ccc(\C=C(\C#N)c2cc(OC)c(OC)c(OC)c2)cc1
Show InChI InChI=1S/C19H19NO4/c1-21-16-7-5-13(6-8-16)9-15(12-20)14-10-17(22-2)19(24-4)18(11-14)23-3/h5-11H,1-4H3/b15-9-
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Ajinomoto Company Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against tubulin polymerization

J Med Chem 41: 3022-32 (1998)


Article DOI: 10.1021/jm980101w
BindingDB Entry DOI: 10.7270/Q2QV3Q85
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)		BDBM50471742
PNG
(CHEMBL102711)
Show SMILES COc1cc(cc(OC)c1OC)C(=C/c1ccc(Cl)c(N)c1)\C#N
Show InChI InChI=1S/C18H17ClN2O3/c1-22-16-8-12(9-17(23-2)18(16)24-3)13(10-20)6-11-4-5-14(19)15(21)7-11/h4-9H,21H2,1-3H3/b13-6-
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Ajinomoto Company Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against tubulin polymerization

J Med Chem 41: 3022-32 (1998)


Article DOI: 10.1021/jm980101w
BindingDB Entry DOI: 10.7270/Q2QV3Q85
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)		BDBM50471752
PNG
(CHEMBL102838)
Show SMILES COc1ccc(\C=C(\C#N)c2ccc(OC)c(OC)c2)cc1N
Show InChI InChI=1S/C18H18N2O3/c1-21-16-6-4-12(9-15(16)20)8-14(11-19)13-5-7-17(22-2)18(10-13)23-3/h4-10H,20H2,1-3H3/b14-8-
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Ajinomoto Company Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against tubulin polymerization

J Med Chem 41: 3022-32 (1998)


Article DOI: 10.1021/jm980101w
BindingDB Entry DOI: 10.7270/Q2QV3Q85
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)		BDBM50471745
PNG
(CHEMBL103329)
Show SMILES COc1ccc(CC(C#N)c2cc(OC)c(OC)c(OC)c2)cc1N
Show InChI InChI=1S/C19H22N2O4/c1-22-16-6-5-12(8-15(16)21)7-14(11-20)13-9-17(23-2)19(25-4)18(10-13)24-3/h5-6,8-10,14H,7,21H2,1-4H3
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Ajinomoto Company Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against tubulin polymerization

J Med Chem 41: 3022-32 (1998)


Article DOI: 10.1021/jm980101w
BindingDB Entry DOI: 10.7270/Q2QV3Q85
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)		BDBM50471735
PNG
(CHEMBL103288)
Show SMILES COc1ccc(\C=C(\C#N)c2ccccc2)cc1N
Show InChI InChI=1S/C16H14N2O/c1-19-16-8-7-12(10-15(16)18)9-14(11-17)13-5-3-2-4-6-13/h2-10H,18H2,1H3/b14-9-
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Ajinomoto Company Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against tubulin polymerization

J Med Chem 41: 3022-32 (1998)


Article DOI: 10.1021/jm980101w
BindingDB Entry DOI: 10.7270/Q2QV3Q85
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)		BDBM50471749
PNG
(CHEMBL316750)
Show SMILES COc1ccc(cc1)C(=C/c1ccc(OC)c(N)c1)\C#N
Show InChI InChI=1S/C17H16N2O2/c1-20-15-6-4-13(5-7-15)14(11-18)9-12-3-8-17(21-2)16(19)10-12/h3-10H,19H2,1-2H3/b14-9-
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Ajinomoto Company Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against tubulin polymerization

J Med Chem 41: 3022-32 (1998)


Article DOI: 10.1021/jm980101w
BindingDB Entry DOI: 10.7270/Q2QV3Q85
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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Ajinomoto Co. Inc.

Curated by ChEMBL


Assay Description
Tubulin polymerization inhibitory activity using bovine brain tubulin

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


BindingDB Entry DOI: 10.7270/Q29K4DD4
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)		BDBM50471734
PNG
(CHEMBL103582)
Show SMILES COc1ccc(\C=C(\C#N)c2cc(OC)c(OC)c(OC)c2)cc1N
Show InChI InChI=1S/C19H20N2O4/c1-22-16-6-5-12(8-15(16)21)7-14(11-20)13-9-17(23-2)19(25-4)18(10-13)24-3/h5-10H,21H2,1-4H3/b14-7-
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Ajinomoto Company Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against tubulin polymerization

J Med Chem 41: 3022-32 (1998)


Article DOI: 10.1021/jm980101w
BindingDB Entry DOI: 10.7270/Q2QV3Q85
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)		BDBM50471732
PNG
(CHEMBL102944)
Show SMILES COc1cc(cc(OC)c1OC)C(=C/c1ccc(C)c(N)c1)\C#N
Show InChI InChI=1S/C19H20N2O3/c1-12-5-6-13(8-16(12)21)7-15(11-20)14-9-17(22-2)19(24-4)18(10-14)23-3/h5-10H,21H2,1-4H3/b15-7-
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Ajinomoto Company Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against tubulin polymerization

J Med Chem 41: 3022-32 (1998)


Article DOI: 10.1021/jm980101w
BindingDB Entry DOI: 10.7270/Q2QV3Q85
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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Ajinomoto Co. Inc.

Curated by ChEMBL


Assay Description
Tubulin polymerization inhibitory activity using bovine brain tubulin

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


BindingDB Entry DOI: 10.7270/Q29K4DD4
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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Ajinomoto Co. Inc.

Curated by ChEMBL


Assay Description
Tubulin polymerization inhibitory activity using bovine brain tubulin

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


BindingDB Entry DOI: 10.7270/Q29K4DD4
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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Ajinomoto Co. Inc.

Curated by ChEMBL


Assay Description
Tubulin polymerization inhibitory activity using bovine brain tubulin

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


BindingDB Entry DOI: 10.7270/Q29K4DD4
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)		BDBM50471743
PNG
(CHEMBL102949)
Show SMILES COc1ccc(\C=C(\C#N)c2cc(OC)c(OC)c(OC)c2)cc1NC(C)=O
Show InChI InChI=1S/C21H22N2O5/c1-13(24)23-17-9-14(6-7-18(17)25-2)8-16(12-22)15-10-19(26-3)21(28-5)20(11-15)27-4/h6-11H,1-5H3,(H,23,24)/b16-8-
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Ajinomoto Company Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against tubulin polymerization

J Med Chem 41: 3022-32 (1998)


Article DOI: 10.1021/jm980101w
BindingDB Entry DOI: 10.7270/Q2QV3Q85
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)		BDBM50471753
PNG
(CHEMBL102235)
Show SMILES COc1ccc(CC(C#N)c2cc(OC)c(OC)c(OC)c2)cn1
Show InChI InChI=1S/C18H20N2O4/c1-21-15-8-13(9-16(22-2)18(15)24-4)14(10-19)7-12-5-6-17(23-3)20-11-12/h5-6,8-9,11,14H,7H2,1-4H3
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Ajinomoto Company Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against tubulin polymerization

J Med Chem 41: 3022-32 (1998)


Article DOI: 10.1021/jm980101w
BindingDB Entry DOI: 10.7270/Q2QV3Q85
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)		BDBM50471748
PNG
(CHEMBL322173)
Show SMILES COc1ccc(\C=C(/C#N)c2cc(OC)c(OC)c(OC)c2)cc1[N+]([O-])=O
Show InChI InChI=1S/C19H18N2O6/c1-24-16-6-5-12(8-15(16)21(22)23)7-14(11-20)13-9-17(25-2)19(27-4)18(10-13)26-3/h5-10H,1-4H3/b14-7+
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Ajinomoto Company Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against tubulin polymerization

J Med Chem 41: 3022-32 (1998)


Article DOI: 10.1021/jm980101w
BindingDB Entry DOI: 10.7270/Q2QV3Q85
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)		BDBM50471738
PNG
(CHEMBL322446)
Show SMILES COc1ccc(\C=C(/C#N)c2cc(OC)c(OC)c(OC)c2)cc1
Show InChI InChI=1S/C19H19NO4/c1-21-16-7-5-13(6-8-16)9-15(12-20)14-10-17(22-2)19(24-4)18(11-14)23-3/h5-11H,1-4H3/b15-9+
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Ajinomoto Company Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against tubulin polymerization

J Med Chem 41: 3022-32 (1998)


Article DOI: 10.1021/jm980101w
BindingDB Entry DOI: 10.7270/Q2QV3Q85
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)		BDBM50471731
PNG
(CHEMBL320679)
Show SMILES COc1cc(cc(OC)c1OC)C(=C\c1ccc(C)c(N)c1)\C#N
Show InChI InChI=1S/C19H20N2O3/c1-12-5-6-13(8-16(12)21)7-15(11-20)14-9-17(22-2)19(24-4)18(10-14)23-3/h5-10H,21H2,1-4H3/b15-7+
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Ajinomoto Company Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against tubulin polymerization

J Med Chem 41: 3022-32 (1998)


Article DOI: 10.1021/jm980101w
BindingDB Entry DOI: 10.7270/Q2QV3Q85
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)		BDBM50471740
PNG
(CHEMBL102702)
Show SMILES COc1ccc(\C=C(\CO)c2cc(OC)c(OC)c(OC)c2)cc1
Show InChI InChI=1S/C19H22O5/c1-21-16-7-5-13(6-8-16)9-15(12-20)14-10-17(22-2)19(24-4)18(11-14)23-3/h5-11,20H,12H2,1-4H3/b15-9-
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Ajinomoto Company Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against tubulin polymerization

J Med Chem 41: 3022-32 (1998)


Article DOI: 10.1021/jm980101w
BindingDB Entry DOI: 10.7270/Q2QV3Q85
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)		BDBM50471739
PNG
(CHEMBL103174)
Show SMILES COc1ccc(\C=C(\CN)c2cc(OC)c(OC)c(OC)c2)cc1
Show InChI InChI=1S/C19H23NO4/c1-21-16-7-5-13(6-8-16)9-15(12-20)14-10-17(22-2)19(24-4)18(11-14)23-3/h5-11H,12,20H2,1-4H3/b15-9-
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Ajinomoto Company Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against tubulin polymerization

J Med Chem 41: 3022-32 (1998)


Article DOI: 10.1021/jm980101w
BindingDB Entry DOI: 10.7270/Q2QV3Q85
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)		BDBM50471744
PNG
(CHEMBL105075)
Show SMILES COc1ccc(\C=C(/C#N)c2cc(OC)c(OC)c(OC)c2)cc1N
Show InChI InChI=1S/C19H20N2O4/c1-22-16-6-5-12(8-15(16)21)7-14(11-20)13-9-17(23-2)19(25-4)18(10-13)24-3/h5-10H,21H2,1-4H3/b14-7+
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Ajinomoto Company Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against tubulin polymerization

J Med Chem 41: 3022-32 (1998)


Article DOI: 10.1021/jm980101w
BindingDB Entry DOI: 10.7270/Q2QV3Q85
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)		BDBM50471755
PNG
(CHEMBL103653)
Show SMILES COc1ccc(\C=C(\C#N)c2cc(OC)c(OC)c(OC)c2)cn1
Show InChI InChI=1S/C18H18N2O4/c1-21-15-8-13(9-16(22-2)18(15)24-4)14(10-19)7-12-5-6-17(23-3)20-11-12/h5-9,11H,1-4H3/b14-7-
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Ajinomoto Company Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against tubulin polymerization

J Med Chem 41: 3022-32 (1998)


Article DOI: 10.1021/jm980101w
BindingDB Entry DOI: 10.7270/Q2QV3Q85
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)		BDBM50471737
PNG
(CHEMBL105217)
Show SMILES [I-].COc1ccc(\C=C(\C[N+](C)(C)C)c2cc(OC)c(OC)c(OC)c2)cc1
Show InChI InChI=1S/C22H30NO4/c1-23(2,3)15-18(12-16-8-10-19(24-4)11-9-16)17-13-20(25-5)22(27-7)21(14-17)26-6/h8-14H,15H2,1-7H3/q+1/b18-12-
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Ajinomoto Company Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against tubulin polymerization

J Med Chem 41: 3022-32 (1998)


Article DOI: 10.1021/jm980101w
BindingDB Entry DOI: 10.7270/Q2QV3Q85
More data for this
Ligand-Target Pair