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Compile Data Set for Download or QSAR

Found 132 hits with Last Name = 'mauger' and Initial = 'a'   
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
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50037463
PNG
(2-(3-Methoxy-phenyl)-6-morpholin-4-yl-1H-quinolin-...)
Show SMILES COc1cccc(c1)-c1cc(O)c2cc(ccc2n1)N1CCOCC1
Show InChI InChI=1S/C20H20N2O3/c1-24-16-4-2-3-14(11-16)19-13-20(23)17-12-15(5-6-18(17)21-19)22-7-9-25-10-8-22/h2-6,11-13H,7-10H2,1H3,(H,21,23)
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n/an/a 360n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of bovine tubulin polymerization


J Med Chem 37: 3400-7 (1994)


Article DOI: 10.1021/jm00046a025
BindingDB Entry DOI: 10.7270/Q2HQ42MX
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50472344
PNG
(CHEMBL132896)
Show SMILES Cc1ccc2c(O)cc(nc2n1)-c1csc2ccccc12
Show InChI InChI=1S/C17H12N2OS/c1-10-6-7-12-15(20)8-14(19-17(12)18-10)13-9-21-16-5-3-2-4-11(13)16/h2-9H,1H3,(H,18,19,20)
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n/an/a 370n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Concentration inhibiting tubulin polymerization (ITP)


J Med Chem 42: 4081-7 (1999)


Article DOI: 10.1021/jm990208z
BindingDB Entry DOI: 10.7270/Q2Z60RSS
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50037454
PNG
(6-(3-Chloro-phenyl)-5H-[1,3]dioxolo[4,5-g]quinolin...)
Show SMILES Oc1cc(nc2cc3OCOc3cc12)-c1cccc(Cl)c1
Show InChI InChI=1S/C16H10ClNO3/c17-10-3-1-2-9(4-10)12-6-14(19)11-5-15-16(21-8-20-15)7-13(11)18-12/h1-7H,8H2,(H,18,19)
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n/an/a 370n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of bovine tubulin polymerization


J Med Chem 37: 3400-7 (1994)


Article DOI: 10.1021/jm00046a025
BindingDB Entry DOI: 10.7270/Q2HQ42MX
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50037448
PNG
(6-Dimethylamino-2-(3-methoxy-phenyl)-1H-quinolin-4...)
Show SMILES COc1cccc(c1)-c1cc(O)c2cc(ccc2n1)N(C)C
Show InChI InChI=1S/C18H18N2O2/c1-20(2)13-7-8-16-15(10-13)18(21)11-17(19-16)12-5-4-6-14(9-12)22-3/h4-11H,1-3H3,(H,19,21)
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n/an/a 380n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of bovine tubulin polymerization


J Med Chem 37: 3400-7 (1994)


Article DOI: 10.1021/jm00046a025
BindingDB Entry DOI: 10.7270/Q2HQ42MX
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50037450
PNG
(2-(3-Methoxy-phenyl)-6-pyrrolidin-1-yl-1H-quinolin...)
Show SMILES COc1cccc(c1)-c1cc(O)c2cc(ccc2n1)N1CCCC1
Show InChI InChI=1S/C20H20N2O2/c1-24-16-6-4-5-14(11-16)19-13-20(23)17-12-15(7-8-18(17)21-19)22-9-2-3-10-22/h4-8,11-13H,2-3,9-10H2,1H3,(H,21,23)
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n/an/a 440n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of bovine tubulin polymerization


J Med Chem 37: 3400-7 (1994)


Article DOI: 10.1021/jm00046a025
BindingDB Entry DOI: 10.7270/Q2HQ42MX
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50470020
PNG
(CHEMBL325260)
Show SMILES Oc1cc(nc2cc3OCOc3cc12)-c1cccc(OCc2ccccc2)c1
Show InChI InChI=1S/C23H17NO4/c25-21-11-19(24-20-12-23-22(10-18(20)21)27-14-28-23)16-7-4-8-17(9-16)26-13-15-5-2-1-3-6-15/h1-12H,13-14H2,(H,24,25)
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n/an/a 450n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of bovine tubulin polymerization


J Med Chem 37: 3400-7 (1994)


Article DOI: 10.1021/jm00046a025
BindingDB Entry DOI: 10.7270/Q2HQ42MX
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
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 460n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization


J Med Chem 40: 3049-56 (1997)


Article DOI: 10.1021/jm970146h
BindingDB Entry DOI: 10.7270/Q2TQ648T
More data for this
Ligand-Target Pair
Tubulin alpha-1A chain


(Sus scrofa (Pig))
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 460n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization.(ITP)


J Med Chem 44: 3932-6 (2001)


BindingDB Entry DOI: 10.7270/Q2PK0FFW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tubulin beta-2B chain


(Bos taurus)
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 460n/an/an/an/an/an/a



University of North Carolina at Chapel Hill 27599

Curated by ChEMBL


Assay Description
Inhibition of bovine tubulin polymerization


J Med Chem 40: 2266-75 (1997)


Article DOI: 10.1021/jm960858s
BindingDB Entry DOI: 10.7270/Q26M35ZF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Similar to alpha-tubulin isoform 1


(Bos taurus)
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 460n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of bovine tubulin polymerization


J Med Chem 37: 3400-7 (1994)


Article DOI: 10.1021/jm00046a025
BindingDB Entry DOI: 10.7270/Q2HQ42MX
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50470021
PNG
(CHEMBL114883)
Show SMILES CCOc1cccc(c1)-c1cc(O)c2cc3OCOc3cc2n1
Show InChI InChI=1S/C18H15NO4/c1-2-21-12-5-3-4-11(6-12)14-8-16(20)13-7-17-18(23-10-22-17)9-15(13)19-14/h3-9H,2,10H2,1H3,(H,19,20)
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n/an/a 470n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of bovine tubulin polymerization


J Med Chem 37: 3400-7 (1994)


Article DOI: 10.1021/jm00046a025
BindingDB Entry DOI: 10.7270/Q2HQ42MX
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50037462
PNG
(6-(3-Hydroxy-phenyl)-5H-[1,3]dioxolo[4,5-g]quinoli...)
Show SMILES Oc1cccc(c1)-c1cc(O)c2cc3OCOc3cc2n1
Show InChI InChI=1S/C16H11NO4/c18-10-3-1-2-9(4-10)12-6-14(19)11-5-15-16(21-8-20-15)7-13(11)17-12/h1-7,18H,8H2,(H,17,19)
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n/an/a 470n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of bovine tubulin polymerization


J Med Chem 37: 3400-7 (1994)


Article DOI: 10.1021/jm00046a025
BindingDB Entry DOI: 10.7270/Q2HQ42MX
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50037450
PNG
(2-(3-Methoxy-phenyl)-6-pyrrolidin-1-yl-1H-quinolin...)
Show SMILES COc1cccc(c1)-c1cc(O)c2cc(ccc2n1)N1CCCC1
Show InChI InChI=1S/C20H20N2O2/c1-24-16-6-4-5-14(11-16)19-13-20(23)17-12-15(7-8-18(17)21-19)22-9-2-3-10-22/h4-8,11-13H,2-3,9-10H2,1H3,(H,21,23)
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n/an/a 490n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Concentration inhibiting tubulin polymerization (ITP)


J Med Chem 42: 4081-7 (1999)


Article DOI: 10.1021/jm990208z
BindingDB Entry DOI: 10.7270/Q2Z60RSS
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50470025
PNG
(CHEMBL117993)
Show SMILES Oc1cc(nc2cc3OCOc3cc12)-c1cccc(OC(F)(F)F)c1
Show InChI InChI=1S/C17H10F3NO4/c18-17(19,20)25-10-3-1-2-9(4-10)12-6-14(22)11-5-15-16(24-8-23-15)7-13(11)21-12/h1-7H,8H2,(H,21,22)
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n/an/a 500n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of bovine tubulin polymerization


J Med Chem 37: 3400-7 (1994)


Article DOI: 10.1021/jm00046a025
BindingDB Entry DOI: 10.7270/Q2HQ42MX
More data for this
Ligand-Target Pair
Tubulin beta-2B chain


(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 530n/an/an/an/an/an/a



University of North Carolina at Chapel Hill 27599

Curated by ChEMBL


Assay Description
Inhibition of bovine tubulin polymerization


J Med Chem 40: 2266-75 (1997)


Article DOI: 10.1021/jm960858s
BindingDB Entry DOI: 10.7270/Q26M35ZF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tubulin alpha-1A chain


(Sus scrofa (Pig))
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 530n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization(ITP)


J Med Chem 44: 3932-6 (2001)


BindingDB Entry DOI: 10.7270/Q2PK0FFW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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 530n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of bovine tubulin polymerization


J Med Chem 37: 3400-7 (1994)


Article DOI: 10.1021/jm00046a025
BindingDB Entry DOI: 10.7270/Q2HQ42MX
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50059968
PNG
(2-(3-Fluoro-phenyl)-7-methyl-1H-[1,8]naphthyridin-...)
Show SMILES Cc1ccc2c(O)cc(nc2n1)-c1cccc(F)c1
Show InChI InChI=1S/C15H11FN2O/c1-9-5-6-12-14(19)8-13(18-15(12)17-9)10-3-2-4-11(16)7-10/h2-8H,1H3,(H,17,18,19)
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n/an/a 530n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization


J Med Chem 40: 3049-56 (1997)


Article DOI: 10.1021/jm970146h
BindingDB Entry DOI: 10.7270/Q2TQ648T
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50037457
PNG
(6-(3-Fluoro-phenyl)-5H-[1,3]dioxolo[4,5-g]quinolin...)
Show SMILES Oc1cc(nc2cc3OCOc3cc12)-c1cccc(F)c1
Show InChI InChI=1S/C16H10FNO3/c17-10-3-1-2-9(4-10)12-6-14(19)11-5-15-16(21-8-20-15)7-13(11)18-12/h1-7H,8H2,(H,18,19)
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n/an/a 530n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of bovine tubulin polymerization


J Med Chem 37: 3400-7 (1994)


Article DOI: 10.1021/jm00046a025
BindingDB Entry DOI: 10.7270/Q2HQ42MX
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 530n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization


J Med Chem 40: 3049-56 (1997)


Article DOI: 10.1021/jm970146h
BindingDB Entry DOI: 10.7270/Q2TQ648T
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50470019
PNG
(CHEMBL117994)
Show SMILES Oc1cc(nc2cc3OCOc3cc12)-c1cccc(Br)c1
Show InChI InChI=1S/C16H10BrNO3/c17-10-3-1-2-9(4-10)12-6-14(19)11-5-15-16(21-8-20-15)7-13(11)18-12/h1-7H,8H2,(H,18,19)
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n/an/a 530n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of bovine tubulin polymerization


J Med Chem 37: 3400-7 (1994)


Article DOI: 10.1021/jm00046a025
BindingDB Entry DOI: 10.7270/Q2HQ42MX
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50059964
PNG
(6-Methyl-2-naphthalen-1-yl-1H-[1,8]naphthyridin-4-...)
Show SMILES Cc1cnc2nc(cc(O)c2c1)-c1cccc2ccccc12
Show InChI InChI=1S/C19H14N2O/c1-12-9-16-18(22)10-17(21-19(16)20-11-12)15-8-4-6-13-5-2-3-7-14(13)15/h2-11H,1H3,(H,20,21,22)
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n/an/a 550n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization


J Med Chem 40: 3049-56 (1997)


Article DOI: 10.1021/jm970146h
BindingDB Entry DOI: 10.7270/Q2TQ648T
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50037444
PNG
(6-(3-Methoxy-phenyl)-5H-[1,3]dioxolo[4,5-g]quinoli...)
Show SMILES COc1cccc(c1)-c1cc(O)c2cc3OCOc3cc2n1
Show InChI InChI=1S/C17H13NO4/c1-20-11-4-2-3-10(5-11)13-7-15(19)12-6-16-17(22-9-21-16)8-14(12)18-13/h2-8H,9H2,1H3,(H,18,19)
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n/an/a 570n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of bovine tubulin polymerization


J Med Chem 37: 3400-7 (1994)


Article DOI: 10.1021/jm00046a025
BindingDB Entry DOI: 10.7270/Q2HQ42MX
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
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 590n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Concentration inhibiting tubulin polymerization (ITP)


J Med Chem 42: 4081-7 (1999)


Article DOI: 10.1021/jm990208z
BindingDB Entry DOI: 10.7270/Q2Z60RSS
More data for this
Ligand-Target Pair
Tubulin beta-2B chain


(Bos taurus)
BDBM50059123
PNG
(2-(3-Methoxy-phenyl)-5-methyl-1H-[1,8]naphthyridin...)
Show SMILES COc1cccc(c1)-c1cc(O)c2c(C)ccnc2n1
Show InChI InChI=1S/C16H14N2O2/c1-10-6-7-17-16-15(10)14(19)9-13(18-16)11-4-3-5-12(8-11)20-2/h3-9H,1-2H3,(H,17,18,19)
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n/an/a 620n/an/an/an/an/an/a



University of North Carolina at Chapel Hill 27599

Curated by ChEMBL


Assay Description
Inhibition of bovine tubulin polymerization


J Med Chem 40: 2266-75 (1997)


Article DOI: 10.1021/jm960858s
BindingDB Entry DOI: 10.7270/Q26M35ZF
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50005478
PNG
(2-Methoxy-5-[2-(3,4,5-trimethoxy-phenyl)-ethyl]-ph...)
Show SMILES COc1ccc(CCc2cc(OC)c(OC)c(OC)c2)cc1O
Show InChI InChI=1S/C18H22O5/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/h7-11,19H,5-6H2,1-4H3
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n/an/a 630n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of bovine tubulin polymerization


J Med Chem 37: 3400-7 (1994)


Article DOI: 10.1021/jm00046a025
BindingDB Entry DOI: 10.7270/Q2HQ42MX
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50037464
PNG
(6-Phenyl-5H-[1,3]dioxolo[4,5-g]quinolin-8-one | CH...)
Show SMILES Oc1cc(nc2cc3OCOc3cc12)-c1ccccc1
Show InChI InChI=1S/C16H11NO3/c18-14-7-12(10-4-2-1-3-5-10)17-13-8-16-15(6-11(13)14)19-9-20-16/h1-8H,9H2,(H,17,18)
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n/an/a 630n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of bovine tubulin polymerization


J Med Chem 37: 3400-7 (1994)


Article DOI: 10.1021/jm00046a025
BindingDB Entry DOI: 10.7270/Q2HQ42MX
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50059971
PNG
(2-(3-Fluoro-phenyl)-6-methyl-1H-[1,8]naphthyridin-...)
Show SMILES Cc1cnc2nc(cc(O)c2c1)-c1cccc(F)c1
Show InChI InChI=1S/C15H11FN2O/c1-9-5-12-14(19)7-13(18-15(12)17-8-9)10-3-2-4-11(16)6-10/h2-8H,1H3,(H,17,18,19)
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n/an/a 630n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization


J Med Chem 40: 3049-56 (1997)


Article DOI: 10.1021/jm970146h
BindingDB Entry DOI: 10.7270/Q2TQ648T
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50037459
PNG
(6-(3-Methylamino-phenyl)-5H-[1,3]dioxolo[4,5-g]qui...)
Show SMILES CNc1cccc(c1)-c1cc(O)c2cc3OCOc3cc2n1
Show InChI InChI=1S/C17H14N2O3/c1-18-11-4-2-3-10(5-11)13-7-15(20)12-6-16-17(22-9-21-16)8-14(12)19-13/h2-8,18H,9H2,1H3,(H,19,20)
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n/an/a 650n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of bovine tubulin polymerization


J Med Chem 37: 3400-7 (1994)


Article DOI: 10.1021/jm00046a025
BindingDB Entry DOI: 10.7270/Q2HQ42MX
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50059966
PNG
(7-Methyl-2-naphthalen-1-yl-1H-[1,8]naphthyridin-4-...)
Show SMILES Cc1ccc2c(O)cc(nc2n1)-c1cccc2ccccc12
Show InChI InChI=1S/C19H14N2O/c1-12-9-10-16-18(22)11-17(21-19(16)20-12)15-8-4-6-13-5-2-3-7-14(13)15/h2-11H,1H3,(H,20,21,22)
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n/an/a 660n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization


J Med Chem 40: 3049-56 (1997)


Article DOI: 10.1021/jm970146h
BindingDB Entry DOI: 10.7270/Q2TQ648T
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 660n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Concentration inhibiting tubulin polymerization (ITP)


J Med Chem 42: 4081-7 (1999)


Article DOI: 10.1021/jm990208z
BindingDB Entry DOI: 10.7270/Q2Z60RSS
More data for this
Ligand-Target Pair
Tubulin alpha-1A chain


(Sus scrofa (Pig))
BDBM50041119
PNG
(2-(2-fluorophenyl)-6,7-methylenedioxyquinolin-4-on...)
Show SMILES Oc1cc(nc2cc3OCOc3cc12)-c1ccccc1F
Show InChI InChI=1S/C16H10FNO3/c17-11-4-2-1-3-9(11)12-6-14(19)10-5-15-16(21-8-20-15)7-13(10)18-12/h1-7H,8H2,(H,18,19)
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n/an/a 680n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization(ITP)


J Med Chem 44: 3932-6 (2001)


BindingDB Entry DOI: 10.7270/Q2PK0FFW
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50037452
PNG
(6-(3-Dimethylamino-phenyl)-5H-[1,3]dioxolo[4,5-g]q...)
Show SMILES CN(C)c1cccc(c1)-c1cc(O)c2cc3OCOc3cc2n1
Show InChI InChI=1S/C18H16N2O3/c1-20(2)12-5-3-4-11(6-12)14-8-16(21)13-7-17-18(23-10-22-17)9-15(13)19-14/h3-9H,10H2,1-2H3,(H,19,21)
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n/an/a 700n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of bovine tubulin polymerization


J Med Chem 37: 3400-7 (1994)


Article DOI: 10.1021/jm00046a025
BindingDB Entry DOI: 10.7270/Q2HQ42MX
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50470029
PNG
(CHEMBL113928)
Show SMILES COc1cccc(c1)-c1cc(O)c2cc(Cl)ccc2n1
Show InChI InChI=1S/C16H12ClNO2/c1-20-12-4-2-3-10(7-12)15-9-16(19)13-8-11(17)5-6-14(13)18-15/h2-9H,1H3,(H,18,19)
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n/an/a 700n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of bovine tubulin polymerization


J Med Chem 37: 3400-7 (1994)


Article DOI: 10.1021/jm00046a025
BindingDB Entry DOI: 10.7270/Q2HQ42MX
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50470028
PNG
(CHEMBL114849)
Show SMILES Oc1cc(nc2ccc(cc12)N1CCCC1)-c1cccc(OC(F)(F)F)c1
Show InChI InChI=1S/C20H17F3N2O2/c21-20(22,23)27-15-5-3-4-13(10-15)18-12-19(26)16-11-14(6-7-17(16)24-18)25-8-1-2-9-25/h3-7,10-12H,1-2,8-9H2,(H,24,26)
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n/an/a 720n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of bovine tubulin polymerization


J Med Chem 37: 3400-7 (1994)


Article DOI: 10.1021/jm00046a025
BindingDB Entry DOI: 10.7270/Q2HQ42MX
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50059961
PNG
(2-(3-Chloro-phenyl)-6-methyl-1H-[1,8]naphthyridin-...)
Show SMILES Cc1cnc2nc(cc(O)c2c1)-c1cccc(Cl)c1
Show InChI InChI=1S/C15H11ClN2O/c1-9-5-12-14(19)7-13(18-15(12)17-8-9)10-3-2-4-11(16)6-10/h2-8H,1H3,(H,17,18,19)
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n/an/a 720n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization


J Med Chem 40: 3049-56 (1997)


Article DOI: 10.1021/jm970146h
BindingDB Entry DOI: 10.7270/Q2TQ648T
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50059961
PNG
(2-(3-Chloro-phenyl)-6-methyl-1H-[1,8]naphthyridin-...)
Show SMILES Cc1cnc2nc(cc(O)c2c1)-c1cccc(Cl)c1
Show InChI InChI=1S/C15H11ClN2O/c1-9-5-12-14(19)7-13(18-15(12)17-8-9)10-3-2-4-11(16)6-10/h2-8H,1H3,(H,17,18,19)
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n/an/a 720n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Concentration inhibiting tubulin polymerization (ITP)


J Med Chem 42: 4081-7 (1999)


Article DOI: 10.1021/jm990208z
BindingDB Entry DOI: 10.7270/Q2Z60RSS
More data for this
Ligand-Target Pair
Tubulin beta-2B chain


(Bos taurus)
BDBM50059100
PNG
(6-Chloro-2-(3-methoxy-phenyl)-1H-[1,8]naphthyridin...)
Show SMILES COc1cccc(c1)-c1cc(O)c2cc(Cl)cnc2n1
Show InChI InChI=1S/C15H11ClN2O2/c1-20-11-4-2-3-9(5-11)13-7-14(19)12-6-10(16)8-17-15(12)18-13/h2-8H,1H3,(H,17,18,19)
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n/an/a 730n/an/an/an/an/an/a



University of North Carolina at Chapel Hill 27599

Curated by ChEMBL


Assay Description
Inhibition of bovine tubulin polymerization


J Med Chem 40: 2266-75 (1997)


Article DOI: 10.1021/jm960858s
BindingDB Entry DOI: 10.7270/Q26M35ZF
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50037453
PNG
(6-(3-Amino-phenyl)-5H-[1,3]dioxolo[4,5-g]quinolin-...)
Show SMILES Nc1cccc(c1)-c1cc(O)c2cc3OCOc3cc2n1
Show InChI InChI=1S/C16H12N2O3/c17-10-3-1-2-9(4-10)12-6-14(19)11-5-15-16(21-8-20-15)7-13(11)18-12/h1-7H,8,17H2,(H,18,19)
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n/an/a 730n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of bovine tubulin polymerization


J Med Chem 37: 3400-7 (1994)


Article DOI: 10.1021/jm00046a025
BindingDB Entry DOI: 10.7270/Q2HQ42MX
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50059975
PNG
(2-(3-Fluoro-phenyl)-5,7-dimethyl-1H-[1,8]naphthyri...)
Show SMILES Cc1cc(C)c2c(O)cc(nc2n1)-c1cccc(F)c1
Show InChI InChI=1S/C16H13FN2O/c1-9-6-10(2)18-16-15(9)14(20)8-13(19-16)11-4-3-5-12(17)7-11/h3-8H,1-2H3,(H,18,19,20)
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n/an/a 740n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization


J Med Chem 40: 3049-56 (1997)


Article DOI: 10.1021/jm970146h
BindingDB Entry DOI: 10.7270/Q2TQ648T
More data for this
Ligand-Target Pair
Tubulin beta-2B chain


(Bos taurus)
BDBM50059117
PNG
(2-(3-Methoxy-phenyl)-7-methyl-1H-[1,8]naphthyridin...)
Show SMILES COc1cccc(c1)-c1cc(O)c2ccc(C)nc2n1
Show InChI InChI=1S/C16H14N2O2/c1-10-6-7-13-15(19)9-14(18-16(13)17-10)11-4-3-5-12(8-11)20-2/h3-9H,1-2H3,(H,17,18,19)
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n/an/a 750n/an/an/an/an/an/a



University of North Carolina at Chapel Hill 27599

Curated by ChEMBL


Assay Description
Inhibition of bovine tubulin polymerization


J Med Chem 40: 2266-75 (1997)


Article DOI: 10.1021/jm960858s
BindingDB Entry DOI: 10.7270/Q26M35ZF
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50059976
PNG
(2-(3-Chloro-phenyl)-5,7-dimethyl-1H-[1,8]naphthyri...)
Show SMILES Cc1cc(C)c2c(O)cc(nc2n1)-c1cccc(Cl)c1
Show InChI InChI=1S/C16H13ClN2O/c1-9-6-10(2)18-16-15(9)14(20)8-13(19-16)11-4-3-5-12(17)7-11/h3-8H,1-2H3,(H,18,19,20)
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n/an/a 770n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization


J Med Chem 40: 3049-56 (1997)


Article DOI: 10.1021/jm970146h
BindingDB Entry DOI: 10.7270/Q2TQ648T
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50472352
PNG
(CHEMBL130179)
Show SMILES Cc1cc(C)c2c(O)cc(nc2n1)-c1csc2ccccc12
Show InChI InChI=1S/C18H14N2OS/c1-10-7-11(2)19-18-17(10)15(21)8-14(20-18)13-9-22-16-6-4-3-5-12(13)16/h3-9H,1-2H3,(H,19,20,21)
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n/an/a 780n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Concentration inhibiting tubulin polymerization (ITP)


J Med Chem 42: 4081-7 (1999)


Article DOI: 10.1021/jm990208z
BindingDB Entry DOI: 10.7270/Q2Z60RSS
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50059978
PNG
(5,7-Dimethyl-2-naphthalen-1-yl-1H-[1,8]naphthyridi...)
Show SMILES Cc1cc(C)c2c(O)cc(nc2n1)-c1cccc2ccccc12
Show InChI InChI=1S/C20H16N2O/c1-12-10-13(2)21-20-19(12)18(23)11-17(22-20)16-9-5-7-14-6-3-4-8-15(14)16/h3-11H,1-2H3,(H,21,22,23)
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n/an/a 780n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization


J Med Chem 40: 3049-56 (1997)


Article DOI: 10.1021/jm970146h
BindingDB Entry DOI: 10.7270/Q2TQ648T
More data for this
Ligand-Target Pair
Tubulin beta-2B chain


(Bos taurus)
BDBM50014846
PNG
((S)-N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-...)
Show SMILES COc1cc2CC[C@H](NC(C)=O)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC |r|
Show InChI InChI=1S/C22H25NO6/c1-12(24)23-16-8-6-13-10-19(27-3)21(28-4)22(29-5)20(13)14-7-9-18(26-2)17(25)11-15(14)16/h7,9-11,16H,6,8H2,1-5H3,(H,23,24)/t16-/m0/s1
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n/an/a 800n/an/an/an/an/an/a



University of North Carolina at Chapel Hill 27599

Curated by ChEMBL


Assay Description
Inhibition of bovine tubulin polymerization


J Med Chem 40: 2266-75 (1997)


Article DOI: 10.1021/jm960858s
BindingDB Entry DOI: 10.7270/Q26M35ZF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tubulin beta-2B chain


(Bos taurus)
BDBM50059111
PNG
(2-(3-Methoxy-phenyl)-6-methyl-1H-[1,8]naphthyridin...)
Show SMILES COc1cccc(c1)-c1cc(O)c2cc(C)cnc2n1
Show InChI InChI=1S/C16H14N2O2/c1-10-6-13-15(19)8-14(18-16(13)17-9-10)11-4-3-5-12(7-11)20-2/h3-9H,1-2H3,(H,17,18,19)
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n/an/a 800n/an/an/an/an/an/a



University of North Carolina at Chapel Hill 27599

Curated by ChEMBL


Assay Description
Inhibition of bovine tubulin polymerization


J Med Chem 40: 2266-75 (1997)


Article DOI: 10.1021/jm960858s
BindingDB Entry DOI: 10.7270/Q26M35ZF
More data for this
Ligand-Target Pair
Tubulin alpha-1A chain


(Sus scrofa (Pig))
BDBM50014846
PNG
((S)-N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-...)
Show SMILES COc1cc2CC[C@H](NC(C)=O)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC |r|
Show InChI InChI=1S/C22H25NO6/c1-12(24)23-16-8-6-13-10-19(27-3)21(28-4)22(29-5)20(13)14-7-9-18(26-2)17(25)11-15(14)16/h7,9-11,16H,6,8H2,1-5H3,(H,23,24)/t16-/m0/s1
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n/an/a 800n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization(ITP)


J Med Chem 44: 3932-6 (2001)


BindingDB Entry DOI: 10.7270/Q2PK0FFW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50014846
PNG
((S)-N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-...)
Show SMILES COc1cc2CC[C@H](NC(C)=O)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC |r|
Show InChI InChI=1S/C22H25NO6/c1-12(24)23-16-8-6-13-10-19(27-3)21(28-4)22(29-5)20(13)14-7-9-18(26-2)17(25)11-15(14)16/h7,9-11,16H,6,8H2,1-5H3,(H,23,24)/t16-/m0/s1
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n/an/a 800n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of bovine tubulin polymerization


J Med Chem 37: 3400-7 (1994)


Article DOI: 10.1021/jm00046a025
BindingDB Entry DOI: 10.7270/Q2HQ42MX
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50014846
PNG
((S)-N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-...)
Show SMILES COc1cc2CC[C@H](NC(C)=O)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC |r|
Show InChI InChI=1S/C22H25NO6/c1-12(24)23-16-8-6-13-10-19(27-3)21(28-4)22(29-5)20(13)14-7-9-18(26-2)17(25)11-15(14)16/h7,9-11,16H,6,8H2,1-5H3,(H,23,24)/t16-/m0/s1
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n/an/a 800n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization


J Med Chem 40: 3049-56 (1997)


Article DOI: 10.1021/jm970146h
BindingDB Entry DOI: 10.7270/Q2TQ648T
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50037447
PNG
(6-(3-Trifluoromethyl-phenyl)-5H-[1,3]dioxolo[4,5-g...)
Show SMILES Oc1cc(nc2cc3OCOc3cc12)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C17H10F3NO3/c18-17(19,20)10-3-1-2-9(4-10)12-6-14(22)11-5-15-16(24-8-23-15)7-13(11)21-12/h1-7H,8H2,(H,21,22)
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n/an/a 820n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of bovine tubulin polymerization


J Med Chem 37: 3400-7 (1994)


Article DOI: 10.1021/jm00046a025
BindingDB Entry DOI: 10.7270/Q2HQ42MX
More data for this
Ligand-Target Pair
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