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Compile Data Set for Download or QSAR

Found 355 hits with Last Name = 'kuo' and Initial = 'sc'   
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
Protein tyrosine phosphatase type IVA 2


(Homo sapiens (Human))
BDBM50312665
PNG
(CHEMBL1088572 | Sodium 2-(2-Fluorophenyl)-6,7-meth...)
Show SMILES OP([O-])(=O)OC1CC(=Nc2cc3OCOc3cc12)c1ccccc1F |c:7|
Show InChI InChI=1S/C16H13FNO6P/c17-11-4-2-1-3-9(11)12-6-14(24-25(19,20)21)10-5-15-16(23-8-22-15)7-13(10)18-12/h1-5,7,14H,6,8H2,(H2,19,20,21)/p-1
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n/an/a 314n/an/an/an/an/an/a



China Medical University

Curated by ChEMBL


Assay Description
Inhibition of human PTP4A2 by enzyme assay


J Med Chem 53: 1616-26 (2010)


Article DOI: 10.1021/jm901292j
BindingDB Entry DOI: 10.7270/Q2XG9R8X
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 320n/an/an/an/an/an/a



China Medical College

Curated by ChEMBL


Assay Description
Inhibition of bovine tubulin polymerization


J Med Chem 43: 4479-87 (2000)


Article DOI: 10.1021/jm000151c
BindingDB Entry DOI: 10.7270/Q2JS9T53
More data for this
Ligand-Target Pair
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
Tubulin alpha-1A chain


(Sus scrofa (Pig))
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 363n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization interacting at the colchicine binding site.


J Med Chem 43: 167-76 (2000)


BindingDB Entry DOI: 10.7270/Q2CV4JZB
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
Tubulin alpha-1A chain


(Sus scrofa (Pig))
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 372n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization interacting at the colchicine binding site.


J Med Chem 43: 167-76 (2000)


BindingDB Entry DOI: 10.7270/Q2CV4JZB
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
Tubulin alpha-1A chain


(Sus scrofa (Pig))
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 at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization interacting at the colchicine binding site.


J Med Chem 43: 167-76 (2000)


BindingDB Entry DOI: 10.7270/Q2CV4JZB
More data for this
Ligand-Target Pair
Tubulin alpha-1A chain


(Sus scrofa (Pig))
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 437n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization interacting at the colchicine binding site.


J Med Chem 43: 167-76 (2000)


BindingDB Entry DOI: 10.7270/Q2CV4JZB
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
Tubulin alpha-1A chain


(Sus scrofa (Pig))
BDBM50409014
PNG
(CHEMBL50139)
Show SMILES Oc1cc(nc2cc3OCOc3cc12)-c1cccc(OC(=O)c2ccccc2)c1
Show InChI InChI=1S/C23H15NO5/c25-20-11-18(24-19-12-22-21(10-17(19)20)27-13-28-22)15-7-4-8-16(9-15)29-23(26)14-5-2-1-3-6-14/h1-12H,13H2,(H,24,25)
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n/an/a 447n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization interacting at the colchicine binding site.


J Med Chem 43: 167-76 (2000)


BindingDB Entry DOI: 10.7270/Q2CV4JZB
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
Tubulin alpha-1A chain


(Sus scrofa (Pig))
BDBM50106309
PNG
(2-(2'-fluorophenyl)-6-pyrolinyl-4-(1H)-quinolone |...)
Show SMILES Oc1cc(nc2ccc(cc12)N1CCCC1)-c1ccccc1F
Show InChI InChI=1S/C19H17FN2O/c20-16-6-2-1-5-14(16)18-12-19(23)15-11-13(7-8-17(15)21-18)22-9-3-4-10-22/h1-2,5-8,11-12H,3-4,9-10H2,(H,21,23)
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n/an/a 457n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization interacting at the colchicine binding site.


J Med Chem 43: 167-76 (2000)


BindingDB Entry DOI: 10.7270/Q2CV4JZB
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 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



School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization


J Med Chem 37: 1126-35 (1994)


BindingDB Entry DOI: 10.7270/Q2ZC81XN
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 at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin polymerization (ITP).


J Med Chem 41: 1155-62 (1998)


Article DOI: 10.1021/jm9707479
BindingDB Entry DOI: 10.7270/Q2RN3BKW
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



China Medical College

Curated by ChEMBL


Assay Description
Inhibition of bovine tubulin polymerization


J Med Chem 43: 4479-87 (2000)


Article DOI: 10.1021/jm000151c
BindingDB Entry DOI: 10.7270/Q2JS9T53
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 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 alpha-1A chain


(Sus scrofa (Pig))
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 468n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization interacting at the colchicine binding site.


J Med Chem 43: 167-76 (2000)


BindingDB Entry DOI: 10.7270/Q2CV4JZB
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)
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)
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
Inhibition of bovine brain tubulin polymerization (ITP).


J Med Chem 41: 1155-62 (1998)


Article DOI: 10.1021/jm9707479
BindingDB Entry DOI: 10.7270/Q2RN3BKW
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 alpha-1A chain


(Sus scrofa (Pig))
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 525n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization interacting at the colchicine binding site.


J Med Chem 43: 167-76 (2000)


BindingDB Entry DOI: 10.7270/Q2CV4JZB
More data for this
Ligand-Target Pair
Tubulin alpha-1A chain


(Sus scrofa (Pig))
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 525n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization interacting at the colchicine binding site.


J Med Chem 43: 167-76 (2000)


BindingDB Entry DOI: 10.7270/Q2CV4JZB
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)
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 at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin polymerization (ITP).


J Med Chem 41: 1155-62 (1998)


Article DOI: 10.1021/jm9707479
BindingDB Entry DOI: 10.7270/Q2RN3BKW
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)
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



China Medical College

Curated by ChEMBL


Assay Description
Tested for inhibition against tubulin polymerization


J Med Chem 43: 4479-87 (2000)


Article DOI: 10.1021/jm000151c
BindingDB Entry DOI: 10.7270/Q2JS9T53
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)
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)
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
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



School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization


J Med Chem 37: 1126-35 (1994)


BindingDB Entry DOI: 10.7270/Q2ZC81XN
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
Tubulin alpha-1A chain


(Sus scrofa (Pig))
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 at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization interacting at the colchicine binding site.


J Med Chem 43: 167-76 (2000)


BindingDB Entry DOI: 10.7270/Q2CV4JZB
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)
BDBM50472205
PNG
(CHEMBL273311)
Show SMILES Fc1ccccc1[C@@H]1CC(=O)c2cc3OCOc3cc2N1
Show InChI InChI=1S/C16H12FNO3/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/h1-5,7,12,18H,6,8H2/t12-/m0/s1
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n/an/a 560n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin polymerization (ITP).


J Med Chem 41: 1155-62 (1998)


Article DOI: 10.1021/jm9707479
BindingDB Entry DOI: 10.7270/Q2RN3BKW
More data for this
Ligand-Target Pair
Tubulin alpha-1A chain


(Sus scrofa (Pig))
BDBM50056948
PNG
(CHEMBL49847 | Isonicotinic acid (S)-1,2,3-trimetho...)
Show SMILES COc1cc2CC[C@H](OC(=O)c3ccncc3)c3cc(=O)c(SC)ccc3-c2c(OC)c1OC |r|
Show InChI InChI=1S/C26H25NO6S/c1-30-21-13-16-5-7-20(33-26(29)15-9-11-27-12-10-15)18-14-19(28)22(34-4)8-6-17(18)23(16)25(32-3)24(21)31-2/h6,8-14,20H,5,7H2,1-4H3/t20-/m0/s1
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n/an/a 562n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization interacting at the colchicine binding site.


J Med Chem 43: 167-76 (2000)


BindingDB Entry DOI: 10.7270/Q2CV4JZB
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
Tubulin beta-2B chain


(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



School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization


J Med Chem 37: 1126-35 (1994)


BindingDB Entry DOI: 10.7270/Q2ZC81XN
More data for this
Ligand-Target Pair
Tubulin alpha-1A chain


(Sus scrofa (Pig))
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 575n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization interacting at the colchicine binding site.


J Med Chem 43: 167-76 (2000)


BindingDB Entry DOI: 10.7270/Q2CV4JZB
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)
BDBM50041130
PNG
(6-Methoxy-2-phenyl-1H-quinolin-4-one | CHEMBL14120...)
Show SMILES COc1ccc2nc(cc(O)c2c1)-c1ccccc1
Show InChI InChI=1S/C16H13NO2/c1-19-12-7-8-14-13(9-12)16(18)10-15(17-14)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)
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n/an/a 610n/an/an/an/an/an/a



School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization


J Med Chem 37: 1126-35 (1994)


BindingDB Entry DOI: 10.7270/Q2ZC81XN
More data for this
Ligand-Target Pair
Tubulin alpha-1A chain


(Sus scrofa (Pig))
BDBM50409024
PNG
(CHEMBL48525)
Show SMILES COc1cccc(c1)C1=Nc2ncccc2C(C)C1 |t:9|
Show InChI InChI=1S/C16H16N2O/c1-11-9-15(12-5-3-6-13(10-12)19-2)18-16-14(11)7-4-8-17-16/h3-8,10-11H,9H2,1-2H3
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n/an/a 617n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization interacting at the colchicine binding site.


J Med Chem 43: 167-76 (2000)


BindingDB Entry DOI: 10.7270/Q2CV4JZB
More data for this
Ligand-Target Pair
Tubulin beta-2B chain


(Bos taurus)
BDBM50041123
PNG
(6-(3,5-Dimethoxy-phenyl)-5H-[1,3]dioxolo[4,5-g]qui...)
Show SMILES COc1cc(OC)cc(c1)-c1cc(O)c2cc3OCOc3cc2n1
Show InChI InChI=1S/C18H15NO5/c1-21-11-3-10(4-12(5-11)22-2)14-7-16(20)13-6-17-18(24-9-23-17)8-15(13)19-14/h3-8H,9H2,1-2H3,(H,19,20)
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n/an/a 620n/an/an/an/an/an/a



School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization


J Med Chem 37: 1126-35 (1994)


BindingDB Entry DOI: 10.7270/Q2ZC81XN
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)
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
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