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Compile Data Set for Download or QSAR

Found 59 hits with Last Name = 'hackl' 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
Histo-blood group ABO system transferase


(Homo sapiens (Human))
BDBM50427444
PNG
(CHEMBL2326313)
Show SMILES OC[C@H]1O[C@H](OC[C@@H](O)[C@@H](O)[C@H](O)Cn2c3[nH]c(=O)[nH]c(=O)c3[nH]c2=O)[C@H](O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C16H24N4O12/c21-2-6-9(25)10(26)11(27)14(32-6)31-3-5(23)8(24)4(22)1-20-12-7(17-16(20)30)13(28)19-15(29)18-12/h4-6,8-11,14,21-27H,1-3H2,(H,17,30)(H2,18,19,28,29)/t4-,5-,6-,8+,9+,10+,11-,14+/m1/s1
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1.17E+5n/an/an/an/an/an/an/an/a



University of Hamburg

Curated by ChEMBL


Assay Description
Inhibition of human blood group B Galactosyltransferase using UDP-Gal as substrate by STD NMR analysis in presence of magnesium ions


J Med Chem 56: 2150-4 (2013)


Article DOI: 10.1021/jm300642a
BindingDB Entry DOI: 10.7270/Q26T0P01
More data for this
Ligand-Target Pair
Histo-blood group ABO system transferase


(Homo sapiens (Human))
BDBM50427446
PNG
(CHEMBL477507)
Show SMILES OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2[nH]c(=O)[nH]c(=O)c2[nH]c1=O
Show InChI InChI=1S/C10H14N4O7/c15-2-4(17)6(18)3(16)1-14-7-5(11-10(14)21)8(19)13-9(20)12-7/h3-4,6,15-18H,1-2H2,(H,11,21)(H2,12,13,19,20)/t3-,4+,6-/m0/s1
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3.61E+5n/an/an/an/an/an/an/an/a



University of Hamburg

Curated by ChEMBL


Assay Description
Inhibition of human blood group B Galactosyltransferase using UDP-Gal as substrate by STD NMR analysis in presence of magnesium ions


J Med Chem 56: 2150-4 (2013)


Article DOI: 10.1021/jm300642a
BindingDB Entry DOI: 10.7270/Q26T0P01
More data for this
Ligand-Target Pair
Histo-blood group ABO system transferase


(Homo sapiens (Human))
BDBM50427444
PNG
(CHEMBL2326313)
Show SMILES OC[C@H]1O[C@H](OC[C@@H](O)[C@@H](O)[C@H](O)Cn2c3[nH]c(=O)[nH]c(=O)c3[nH]c2=O)[C@H](O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C16H24N4O12/c21-2-6-9(25)10(26)11(27)14(32-6)31-3-5(23)8(24)4(22)1-20-12-7(17-16(20)30)13(28)19-15(29)18-12/h4-6,8-11,14,21-27H,1-3H2,(H,17,30)(H2,18,19,28,29)/t4-,5-,6-,8+,9+,10+,11-,14+/m1/s1
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5.65E+5n/an/an/an/an/an/an/an/a



University of Hamburg

Curated by ChEMBL


Assay Description
Competitive inhibition of human blood group B Galactosyltransferase using UDP-Gal as substrate by Michaelis-Menten equation analysis in presence of m...


J Med Chem 56: 2150-4 (2013)


Article DOI: 10.1021/jm300642a
BindingDB Entry DOI: 10.7270/Q26T0P01
More data for this
Ligand-Target Pair
Histo-blood group ABO system transferase


(Homo sapiens (Human))
BDBM50427445
PNG
(CHEMBL1235497)
Show SMILES OC[C@@H](O)[C@@H](O)[C@H](O)Cn1c2[nH]c(=O)[nH]c(=O)c2[nH]c1=O
Show InChI InChI=1S/C10H14N4O7/c15-2-4(17)6(18)3(16)1-14-7-5(11-10(14)21)8(19)13-9(20)12-7/h3-4,6,15-18H,1-2H2,(H,11,21)(H2,12,13,19,20)/t3-,4-,6+/m1/s1
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5.71E+5n/an/an/an/an/an/an/an/a



University of Hamburg

Curated by ChEMBL


Assay Description
Inhibition of human blood group B Galactosyltransferase using UDP-Gal as substrate by STD NMR analysis in presence of magnesium ions


J Med Chem 56: 2150-4 (2013)


Article DOI: 10.1021/jm300642a
BindingDB Entry DOI: 10.7270/Q26T0P01
More data for this
Ligand-Target Pair
Histo-blood group ABO system transferase


(Homo sapiens (Human))
BDBM50427444
PNG
(CHEMBL2326313)
Show SMILES OC[C@H]1O[C@H](OC[C@@H](O)[C@@H](O)[C@H](O)Cn2c3[nH]c(=O)[nH]c(=O)c3[nH]c2=O)[C@H](O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C16H24N4O12/c21-2-6-9(25)10(26)11(27)14(32-6)31-3-5(23)8(24)4(22)1-20-12-7(17-16(20)30)13(28)19-15(29)18-12/h4-6,8-11,14,21-27H,1-3H2,(H,17,30)(H2,18,19,28,29)/t4-,5-,6-,8+,9+,10+,11-,14+/m1/s1
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1.50E+6n/an/an/an/an/an/an/an/a



University of Hamburg

Curated by ChEMBL


Assay Description
Inhibition of human blood group B Galactosyltransferase using radiolabeled UDP-Gal as substrate in presence of manganese ions


J Med Chem 56: 2150-4 (2013)


Article DOI: 10.1021/jm300642a
BindingDB Entry DOI: 10.7270/Q26T0P01
More data for this
Ligand-Target Pair
Histo-blood group ABO system transferase


(Homo sapiens (Human))
BDBM50427446
PNG
(CHEMBL477507)
Show SMILES OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2[nH]c(=O)[nH]c(=O)c2[nH]c1=O
Show InChI InChI=1S/C10H14N4O7/c15-2-4(17)6(18)3(16)1-14-7-5(11-10(14)21)8(19)13-9(20)12-7/h3-4,6,15-18H,1-2H2,(H,11,21)(H2,12,13,19,20)/t3-,4+,6-/m0/s1
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1.50E+6n/an/an/an/an/an/an/an/a



University of Hamburg

Curated by ChEMBL


Assay Description
Inhibition of human blood group B Galactosyltransferase using radiolabeled UDP-Gal as substrate in presence of manganese ions


J Med Chem 56: 2150-4 (2013)


Article DOI: 10.1021/jm300642a
BindingDB Entry DOI: 10.7270/Q26T0P01
More data for this
Ligand-Target Pair
Histo-blood group ABO system transferase


(Homo sapiens (Human))
BDBM50427445
PNG
(CHEMBL1235497)
Show SMILES OC[C@@H](O)[C@@H](O)[C@H](O)Cn1c2[nH]c(=O)[nH]c(=O)c2[nH]c1=O
Show InChI InChI=1S/C10H14N4O7/c15-2-4(17)6(18)3(16)1-14-7-5(11-10(14)21)8(19)13-9(20)12-7/h3-4,6,15-18H,1-2H2,(H,11,21)(H2,12,13,19,20)/t3-,4-,6+/m1/s1
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2.20E+6n/an/an/an/an/an/an/an/a



University of Hamburg

Curated by ChEMBL


Assay Description
Inhibition of human blood group B Galactosyltransferase using radiolabeled UDP-Gal as substrate in presence of manganese ions


J Med Chem 56: 2150-4 (2013)


Article DOI: 10.1021/jm300642a
BindingDB Entry DOI: 10.7270/Q26T0P01
More data for this
Ligand-Target Pair
Tubulin


(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
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)


Article DOI: 10.1021/jm0101085
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)
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
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: null
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
Inhibition of bovine brain tubulin polymerization (ITP).


J Med Chem 41: 1155-62 (1998)


Article DOI: null
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 at Chapel Hill

Curated by ChEMBL


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


J Med Chem 41: 1155-62 (1998)


Article DOI: null
BindingDB Entry DOI: 10.7270/Q2RN3BKW
More data for this
Ligand-Target Pair
Tubulin


(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)


Article DOI: 10.1021/jm0101085
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)
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: null
BindingDB Entry DOI: 10.7270/Q2RN3BKW
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50472217
PNG
(CHEMBL15997)
Show SMILES COc1cccc(c1)C1CC(=O)c2cc(ccc2N1)N1CCCC1
Show InChI InChI=1S/C20H22N2O2/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/h4-8,11-12,19,21H,2-3,9-10,13H2,1H3
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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
Inhibition of bovine brain tubulin polymerization (ITP).


J Med Chem 41: 1155-62 (1998)


Article DOI: null
BindingDB Entry DOI: 10.7270/Q2RN3BKW
More data for this
Ligand-Target Pair
Tubulin


(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)


Article DOI: 10.1021/jm0101085
BindingDB Entry DOI: 10.7270/Q2PK0FFW
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50063845
PNG
((S)-6-(3-Methoxy-phenyl)-6,7-dihydro-5H-[1,3]dioxo...)
Show SMILES COc1cccc(c1)[C@@H]1CC(=O)c2cc3OCOc3cc2N1
Show InChI InChI=1S/C17H15NO4/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/h2-6,8,13,18H,7,9H2,1H3/t13-/m0/s1
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n/an/a 690n/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: null
BindingDB Entry DOI: 10.7270/Q2RN3BKW
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 740n/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: null
BindingDB Entry DOI: 10.7270/Q2RN3BKW
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50472211
PNG
(CHEMBL16058)
Show SMILES Fc1cccc(c1)C1CC(=O)c2cc3OCOc3cc2N1
Show InChI InChI=1S/C16H12FNO3/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/h1-5,7,12,18H,6,8H2
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n/an/a 750n/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: null
BindingDB Entry DOI: 10.7270/Q2RN3BKW
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50472208
PNG
(CHEMBL16221)
Show SMILES Clc1cccc(c1)C1CC(=O)c2cc(ccc2N1)N1CCCC1
Show InChI InChI=1S/C19H19ClN2O/c20-14-5-3-4-13(10-14)18-12-19(23)16-11-15(6-7-17(16)21-18)22-8-1-2-9-22/h3-7,10-11,18,21H,1-2,8-9,12H2
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n/an/a 760n/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: null
BindingDB Entry DOI: 10.7270/Q2RN3BKW
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50059122
PNG
(2-(3-Methoxy-phenyl)-1H-[1,8]naphthyridin-4-one | ...)
Show SMILES COc1cccc(c1)-c1cc(O)c2cccnc2n1
Show InChI InChI=1S/C15H12N2O2/c1-19-11-5-2-4-10(8-11)13-9-14(18)12-6-3-7-16-15(12)17-13/h2-9H,1H3,(H,16,17,18)
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n/an/a 790n/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: null
BindingDB Entry DOI: 10.7270/Q2RN3BKW
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
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

Curated by ChEMBL


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


J Med Chem 41: 1155-62 (1998)


Article DOI: null
BindingDB Entry DOI: 10.7270/Q2RN3BKW
More data for this
Ligand-Target Pair
Tubulin


(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
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)


Article DOI: 10.1021/jm0101085
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)
BDBM50472212
PNG
(CHEMBL16430)
Show SMILES COc1cccc(c1)C1CC(=O)c2cc3OCOc3cc2N1
Show InChI InChI=1S/C17H15NO4/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/h2-6,8,13,18H,7,9H2,1H3
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n/an/a 820n/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: null
BindingDB Entry DOI: 10.7270/Q2RN3BKW
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50472201
PNG
(CHEMBL16092)
Show SMILES Fc1ccccc1C1CC(=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
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n/an/a 1.10E+3n/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: null
BindingDB Entry DOI: 10.7270/Q2RN3BKW
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50472210
PNG
(CHEMBL16065)
Show SMILES COc1cccc(c1)[C@@H]1CC(=O)c2ccccc2N1
Show InChI InChI=1S/C16H15NO2/c1-19-12-6-4-5-11(9-12)15-10-16(18)13-7-2-3-8-14(13)17-15/h2-9,15,17H,10H2,1H3/t15-/m0/s1
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n/an/a 1.20E+3n/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: null
BindingDB Entry DOI: 10.7270/Q2RN3BKW
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50041113
PNG
(2-(3-Methoxy-phenyl)-1H-quinolin-4-one | CHEMBL276...)
Show SMILES COc1cccc(c1)-c1cc(O)c2ccccc2n1
Show InChI InChI=1S/C16H13NO2/c1-19-12-6-4-5-11(9-12)15-10-16(18)13-7-2-3-8-14(13)17-15/h2-10H,1H3,(H,17,18)
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n/an/a 1.50E+3n/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: null
BindingDB Entry DOI: 10.7270/Q2RN3BKW
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50472214
PNG
(CHEMBL277796)
Show SMILES Fc1ccc(cc1)C1CC(=O)c2cc3OCOc3cc2N1
Show InChI InChI=1S/C16H12FNO3/c17-10-3-1-9(2-4-10)12-6-14(19)11-5-15-16(21-8-20-15)7-13(11)18-12/h1-5,7,12,18H,6,8H2
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n/an/a 2.00E+3n/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: null
BindingDB Entry DOI: 10.7270/Q2RN3BKW
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50063861
PNG
((R)-6-(3-Methoxy-phenyl)-6,7-dihydro-5H-[1,3]dioxo...)
Show SMILES COc1cccc(c1)[C@H]1CC(=O)c2cc3OCOc3cc2N1
Show InChI InChI=1S/C17H15NO4/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/h2-6,8,13,18H,7,9H2,1H3/t13-/m1/s1
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n/an/a 2.30E+3n/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: null
BindingDB Entry DOI: 10.7270/Q2RN3BKW
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50472200
PNG
(Aza-flavanone)
Show SMILES O=C1CC(Nc2ccccc12)c1ccccc1
Show InChI InChI=1S/C15H13NO/c17-15-10-14(11-6-2-1-3-7-11)16-13-9-5-4-8-12(13)15/h1-9,14,16H,10H2
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n/an/a 2.70E+3n/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: null
BindingDB Entry DOI: 10.7270/Q2RN3BKW
More data for this
Ligand-Target Pair
Tubulin


(Sus scrofa (Pig))
BDBM50106310
PNG
(2,2-Dimethyl-propionic acid 6-(2-fluoro-phenyl)-8-...)
Show SMILES CC(C)(C)C(=O)On1c(cc(=O)c2cc3OCOc3cc12)-c1ccccc1F
Show InChI InChI=1S/C21H18FNO5/c1-21(2,3)20(25)28-23-15(12-6-4-5-7-14(12)22)9-17(24)13-8-18-19(10-16(13)23)27-11-26-18/h4-10H,11H2,1-3H3
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n/an/a 3.20E+3n/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)


Article DOI: 10.1021/jm0101085
BindingDB Entry DOI: 10.7270/Q2PK0FFW
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50472206
PNG
(CHEMBL274468)
Show SMILES COc1cccc(c1)C1CC(=O)c2ccccc2N1
Show InChI InChI=1S/C16H15NO2/c1-19-12-6-4-5-11(9-12)15-10-16(18)13-7-2-3-8-14(13)17-15/h2-9,15,17H,10H2,1H3
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n/an/a 3.30E+3n/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: null
BindingDB Entry DOI: 10.7270/Q2RN3BKW
More data for this
Ligand-Target Pair
Tubulin


(Sus scrofa (Pig))
BDBM50012666
PNG
(2-((E)-Styryl)-3H-quinazolin-4-one | 2-Styryl-3H-q...)
Show SMILES O=c1[nH]c(C=Cc2ccccc2)nc2ccccc12
Show InChI InChI=1S/C16H12N2O/c19-16-13-8-4-5-9-14(13)17-15(18-16)11-10-12-6-2-1-3-7-12/h1-11H,(H,17,18,19)
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n/an/a 5.00E+3n/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)


Article DOI: 10.1021/jm0101085
BindingDB Entry DOI: 10.7270/Q2PK0FFW
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50472209
PNG
(CHEMBL16612)
Show SMILES COc1cccc(c1)[C@H]1CC(=O)c2ccccc2N1
Show InChI InChI=1S/C16H15NO2/c1-19-12-6-4-5-11(9-12)15-10-16(18)13-7-2-3-8-14(13)17-15/h2-9,15,17H,10H2,1H3/t15-/m1/s1
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n/an/a 7.20E+3n/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: null
BindingDB Entry DOI: 10.7270/Q2RN3BKW
More data for this
Ligand-Target Pair
Tubulin


(Sus scrofa (Pig))
BDBM48563
PNG
(2-phenyl-1H-quinolin-4-one | 2-phenyl-4-quinolone ...)
Show SMILES Oc1cc(nc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C15H11NO/c17-15-10-14(11-6-2-1-3-7-11)16-13-9-5-4-8-12(13)15/h1-10H,(H,16,17)
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n/an/a 7.30E+3n/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)


Article DOI: 10.1021/jm0101085
BindingDB Entry DOI: 10.7270/Q2PK0FFW
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50472218
PNG
(CHEMBL16611)
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-/m1/s1
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n/an/a 1.20E+4n/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: null
BindingDB Entry DOI: 10.7270/Q2RN3BKW
More data for this
Ligand-Target Pair
Tubulin


(Sus scrofa (Pig))
BDBM50106308
PNG
(4-[6-(2-Fluoro-phenyl)-[1,3]dioxolo[4,5-g]quinolin...)
Show SMILES OC(=O)CCCOc1cc(nc2cc3OCOc3cc12)-c1ccccc1F
Show InChI InChI=1S/C20H16FNO5/c21-14-5-2-1-4-12(14)15-9-17(25-7-3-6-20(23)24)13-8-18-19(27-11-26-18)10-16(13)22-15/h1-2,4-5,8-10H,3,6-7,11H2,(H,23,24)
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n/an/a 1.20E+4n/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)


Article DOI: 10.1021/jm0101085
BindingDB Entry DOI: 10.7270/Q2PK0FFW
More data for this
Ligand-Target Pair
Tubulin


(Sus scrofa (Pig))
BDBM50106307
PNG
(2-Phenyl-2,3-dihydro-1H-quinazolin-4-one | CHEMBL1...)
Show SMILES O=C1NC(Nc2ccccc12)c1ccccc1
Show InChI InChI=1S/C14H12N2O/c17-14-11-8-4-5-9-12(11)15-13(16-14)10-6-2-1-3-7-10/h1-9,13,15H,(H,16,17)
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n/an/a 1.40E+4n/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)


Article DOI: 10.1021/jm0101085
BindingDB Entry DOI: 10.7270/Q2PK0FFW
More data for this
Ligand-Target Pair
Tubulin


(Sus scrofa (Pig))
BDBM50106306
PNG
(CHEMBL338626 | [6-(2-Fluoro-phenyl)-[1,3]dioxolo[4...)
Show SMILES OC(=O)COc1cc(nc2cc3OCOc3cc12)-c1ccccc1F
Show InChI InChI=1S/C18H12FNO5/c19-12-4-2-1-3-10(12)13-6-15(23-8-18(21)22)11-5-16-17(25-9-24-16)7-14(11)20-13/h1-7H,8-9H2,(H,21,22)
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n/an/a>2.00E+4n/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)


Article DOI: 10.1021/jm0101085
BindingDB Entry DOI: 10.7270/Q2PK0FFW
More data for this
Ligand-Target Pair
Tubulin


(Sus scrofa (Pig))
BDBM50106311
PNG
(6-(2-Fluoro-phenyl)-5H-[1,3]dioxolo[4,5-g]quinolin...)
Show SMILES Fc1ccccc1-c1cc(S)c2cc3OCOc3cc2n1
Show InChI InChI=1S/C16H10FNO2S/c17-11-4-2-1-3-9(11)13-7-16(21)10-5-14-15(20-8-19-14)6-12(10)18-13/h1-7H,8H2,(H,18,21)
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n/an/a 2.40E+4n/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)


Article DOI: 10.1021/jm0101085
BindingDB Entry DOI: 10.7270/Q2PK0FFW
More data for this
Ligand-Target Pair
Tubulin


(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 3.90E+4n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Percent inhibition of colchicine binding(ICB) at 5 uM [3H]-colchicine concentration


J Med Chem 44: 3932-6 (2001)


Article DOI: 10.1021/jm0101085
BindingDB Entry DOI: 10.7270/Q2PK0FFW
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50472207
PNG
(CHEMBL273803)
Show SMILES COc1cccc(c1)[C@@H]1C\C(=N/NC(=O)C(=O)NC(C)c2ccccc2)c2cc3OCOc3cc2N1
Show InChI InChI=1S/C27H26N4O5/c1-16(17-7-4-3-5-8-17)28-26(32)27(33)31-30-23-13-21(18-9-6-10-19(11-18)34-2)29-22-14-25-24(12-20(22)23)35-15-36-25/h3-12,14,16,21,29H,13,15H2,1-2H3,(H,28,32)(H,31,33)/b30-23+/t16?,21-/m0/s1
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n/an/a>4.00E+4n/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: null
BindingDB Entry DOI: 10.7270/Q2RN3BKW
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50472204
PNG
(CHEMBL15983)
Show SMILES CC(NC(=O)C(=O)N\N=C1/C[C@H](Nc2cc3OCOc3cc12)c1ccccc1F)c1ccccc1
Show InChI InChI=1S/C26H23FN4O4/c1-15(16-7-3-2-4-8-16)28-25(32)26(33)31-30-22-12-20(17-9-5-6-10-19(17)27)29-21-13-24-23(11-18(21)22)34-14-35-24/h2-11,13,15,20,29H,12,14H2,1H3,(H,28,32)(H,31,33)/b30-22+/t15?,20-/m0/s1
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n/an/a>4.00E+4n/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: null
BindingDB Entry DOI: 10.7270/Q2RN3BKW
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50472203
PNG
(CHEMBL16151)
Show SMILES COc1cccc(c1)[C@H]1C\C(=N/NC(=O)C(=O)NC(C)c2ccccc2)c2ccccc2N1
Show InChI InChI=1S/C26H26N4O3/c1-17(18-9-4-3-5-10-18)27-25(31)26(32)30-29-24-16-23(19-11-8-12-20(15-19)33-2)28-22-14-7-6-13-21(22)24/h3-15,17,23,28H,16H2,1-2H3,(H,27,31)(H,30,32)/b29-24+/t17?,23-/m1/s1
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n/an/a>4.00E+4n/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: null
BindingDB Entry DOI: 10.7270/Q2RN3BKW
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50472202
PNG
(CHEMBL16128)
Show SMILES COc1ccccc1C1CC(=O)c2ccccc2N1
Show InChI InChI=1S/C16H15NO2/c1-19-16-9-5-3-7-12(16)14-10-15(18)11-6-2-4-8-13(11)17-14/h2-9,14,17H,10H2,1H3
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n/an/a>4.00E+4n/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: null
BindingDB Entry DOI: 10.7270/Q2RN3BKW
More data for this
Ligand-Target Pair
Tubulin


(Sus scrofa (Pig))
BDBM50106305
PNG
(2-Phenyl-3H-quinazolin-4-one | 2-phenyl-3,4-dihydr...)
Show SMILES O=c1[nH]c(nc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C14H10N2O/c17-14-11-8-4-5-9-12(11)15-13(16-14)10-6-2-1-3-7-10/h1-9H,(H,15,16,17)
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n/an/a>4.00E+4n/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)


Article DOI: 10.1021/jm0101085
BindingDB Entry DOI: 10.7270/Q2PK0FFW
More data for this
Ligand-Target Pair
Tubulin


(Sus scrofa (Pig))
BDBM50106303
PNG
(4-[6-(2-Fluoro-phenyl)-[1,3]dioxolo[4,5-g]quinolin...)
Show SMILES CCOC(=O)CCCOc1cc(nc2cc3OCOc3cc12)-c1ccccc1F
Show InChI InChI=1S/C22H20FNO5/c1-2-26-22(25)8-5-9-27-19-11-17(14-6-3-4-7-16(14)23)24-18-12-21-20(10-15(18)19)28-13-29-21/h3-4,6-7,10-12H,2,5,8-9,13H2,1H3
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n/an/a>4.00E+4n/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)


Article DOI: 10.1021/jm0101085
BindingDB Entry DOI: 10.7270/Q2PK0FFW
More data for this
Ligand-Target Pair
Tubulin


(Sus scrofa (Pig))
BDBM50106304
PNG
(CHEMBL129338 | [6-(2-Fluoro-phenyl)-[1,3]dioxolo[4...)
Show SMILES CCOC(=O)COc1cc(nc2cc3OCOc3cc12)-c1ccccc1F
Show InChI InChI=1S/C20H16FNO5/c1-2-24-20(23)10-25-17-8-15(12-5-3-4-6-14(12)21)22-16-9-19-18(7-13(16)17)26-11-27-19/h3-9H,2,10-11H2,1H3
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n/an/a>4.00E+4n/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)


Article DOI: 10.1021/jm0101085
BindingDB Entry DOI: 10.7270/Q2PK0FFW
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50472219
PNG
(CHEMBL278746)
Show SMILES COc1cccc(c1)[C@H]1C\C(=N/NC(=O)C(=O)NC(C)c2ccccc2)c2cc3OCOc3cc2N1
Show InChI InChI=1S/C27H26N4O5/c1-16(17-7-4-3-5-8-17)28-26(32)27(33)31-30-23-13-21(18-9-6-10-19(11-18)34-2)29-22-14-25-24(12-20(22)23)35-15-36-25/h3-12,14,16,21,29H,13,15H2,1-2H3,(H,28,32)(H,31,33)/b30-23+/t16?,21-/m1/s1
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n/an/a>4.00E+4n/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: null
BindingDB Entry DOI: 10.7270/Q2RN3BKW
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50472216
PNG
(CHEMBL278893)
Show SMILES CC(NC(=O)C(=O)N\N=C1/C[C@@H](Nc2cc3OCOc3cc12)c1ccccc1F)c1ccccc1
Show InChI InChI=1S/C26H23FN4O4/c1-15(16-7-3-2-4-8-16)28-25(32)26(33)31-30-22-12-20(17-9-5-6-10-19(17)27)29-21-13-24-23(11-18(21)22)34-14-35-24/h2-11,13,15,20,29H,12,14H2,1H3,(H,28,32)(H,31,33)/b30-22+/t15?,20-/m1/s1
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n/an/a>4.00E+4n/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: null
BindingDB Entry DOI: 10.7270/Q2RN3BKW
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50472215
PNG
(CHEMBL273550)
Show SMILES COc1ccc(cc1)C1CC(=O)c2ccccc2N1
Show InChI InChI=1S/C16H15NO2/c1-19-12-8-6-11(7-9-12)15-10-16(18)13-4-2-3-5-14(13)17-15/h2-9,15,17H,10H2,1H3
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n/an/a>4.00E+4n/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: null
BindingDB Entry DOI: 10.7270/Q2RN3BKW
More data for this
Ligand-Target Pair
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