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Compile Data Set for Download or QSAR

Found 21 hits of ki for UniProtKB: P02554   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tubulin beta chain


(Sus scrofa)
BDBM50485941
PNG
(CHEMBL2181004)
Show SMILES COc1ccc(CN[C@H]2CCc3cc(OC)c(OC)c(OC)c3-c3ccc(OC)c(=O)cc23)cc1 |r|
Show InChI InChI=1S/C28H31NO6/c1-31-19-9-6-17(7-10-19)16-29-22-12-8-18-14-25(33-3)27(34-4)28(35-5)26(18)20-11-13-24(32-2)23(30)15-21(20)22/h6-7,9-11,13-15,22,29H,8,12,16H2,1-5H3/t22-/m0/s1
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0.0460n/an/an/an/an/an/an/an/a



University of Bradford

Curated by ChEMBL


Assay Description
Binding affinity to pig brain tubulin


J Med Chem 55: 11062-6 (2012)


Article DOI: 10.1021/jm301151t
BindingDB Entry DOI: 10.7270/Q22V2K0N
More data for this
Ligand-Target Pair
Tubulin beta chain


(Sus scrofa)
BDBM50485945
PNG
(CHEMBL2181003)
Show SMILES COc1cc2CC[C@H](NCc3ccc(cc3)[N+]([O-])=O)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC |r|
Show InChI InChI=1S/C27H28N2O7/c1-33-23-12-10-19-20(14-22(23)30)21(28-15-16-5-8-18(9-6-16)29(31)32)11-7-17-13-24(34-2)26(35-3)27(36-4)25(17)19/h5-6,8-10,12-14,21,28H,7,11,15H2,1-4H3/t21-/m0/s1
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0.0585n/an/an/an/an/an/an/an/a



University of Bradford

Curated by ChEMBL


Assay Description
Binding affinity to pig brain tubulin


J Med Chem 55: 11062-6 (2012)


Article DOI: 10.1021/jm301151t
BindingDB Entry DOI: 10.7270/Q22V2K0N
More data for this
Ligand-Target Pair
Tubulin beta chain


(Sus scrofa)
BDBM50485942
PNG
(CHEMBL2181002)
Show SMILES COc1cc2CC[C@H](NCc3cc(F)c(F)c(F)c3)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC |r|
Show InChI InChI=1S/C27H26F3NO5/c1-33-22-8-6-16-17(12-21(22)32)20(31-13-14-9-18(28)25(30)19(29)10-14)7-5-15-11-23(34-2)26(35-3)27(36-4)24(15)16/h6,8-12,20,31H,5,7,13H2,1-4H3/t20-/m0/s1
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0.0637n/an/an/an/an/an/an/an/a



University of Bradford

Curated by ChEMBL


Assay Description
Binding affinity to pig brain tubulin


J Med Chem 55: 11062-6 (2012)


Article DOI: 10.1021/jm301151t
BindingDB Entry DOI: 10.7270/Q22V2K0N
More data for this
Ligand-Target Pair
Tubulin beta chain


(Sus scrofa)
BDBM50485950
PNG
(CHEMBL2181009)
Show SMILES COc1cc2CC[C@H](NCc3cccc(F)c3)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC |r|
Show InChI InChI=1S/C27H28FNO5/c1-31-23-11-9-19-20(14-22(23)30)21(29-15-16-6-5-7-18(28)12-16)10-8-17-13-24(32-2)26(33-3)27(34-4)25(17)19/h5-7,9,11-14,21,29H,8,10,15H2,1-4H3/t21-/m0/s1
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0.122n/an/an/an/an/an/an/an/a



University of Bradford

Curated by ChEMBL


Assay Description
Binding affinity to pig brain tubulin


J Med Chem 55: 11062-6 (2012)


Article DOI: 10.1021/jm301151t
BindingDB Entry DOI: 10.7270/Q22V2K0N
More data for this
Ligand-Target Pair
Tubulin beta chain


(Sus scrofa)
BDBM50485944
PNG
(CHEMBL2181006)
Show SMILES COc1cc2CC[C@H](NCc3ccc(Cl)cc3)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC |r|
Show InChI InChI=1S/C27H28ClNO5/c1-31-23-12-10-19-20(14-22(23)30)21(29-15-16-5-8-18(28)9-6-16)11-7-17-13-24(32-2)26(33-3)27(34-4)25(17)19/h5-6,8-10,12-14,21,29H,7,11,15H2,1-4H3/t21-/m0/s1
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0.127n/an/an/an/an/an/an/an/a



University of Bradford

Curated by ChEMBL


Assay Description
Binding affinity to pig brain tubulin


J Med Chem 55: 11062-6 (2012)


Article DOI: 10.1021/jm301151t
BindingDB Entry DOI: 10.7270/Q22V2K0N
More data for this
Ligand-Target Pair
Tubulin beta chain


(Sus scrofa)
BDBM50485943
PNG
(CHEMBL2181001)
Show SMILES COc1cc2CC[C@H](NCc3cc(F)cc(F)c3)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC |r|
Show InChI InChI=1S/C27H27F2NO5/c1-32-23-8-6-19-20(13-22(23)31)21(30-14-15-9-17(28)12-18(29)10-15)7-5-16-11-24(33-2)26(34-3)27(35-4)25(16)19/h6,8-13,21,30H,5,7,14H2,1-4H3/t21-/m0/s1
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0.131n/an/an/an/an/an/an/an/a



University of Bradford

Curated by ChEMBL


Assay Description
Binding affinity to pig brain tubulin


J Med Chem 55: 11062-6 (2012)


Article DOI: 10.1021/jm301151t
BindingDB Entry DOI: 10.7270/Q22V2K0N
More data for this
Ligand-Target Pair
Tubulin beta chain


(Sus scrofa)
BDBM50485946
PNG
(CHEMBL2181000)
Show SMILES COc1cc2CC[C@H](NCc3ccc(F)c(F)c3)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC |r|
Show InChI InChI=1S/C27H27F2NO5/c1-32-23-10-7-17-18(13-22(23)31)21(30-14-15-5-8-19(28)20(29)11-15)9-6-16-12-24(33-2)26(34-3)27(35-4)25(16)17/h5,7-8,10-13,21,30H,6,9,14H2,1-4H3/t21-/m0/s1
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0.143n/an/an/an/an/an/an/an/a



University of Bradford

Curated by ChEMBL


Assay Description
Binding affinity to pig brain tubulin


J Med Chem 55: 11062-6 (2012)


Article DOI: 10.1021/jm301151t
BindingDB Entry DOI: 10.7270/Q22V2K0N
More data for this
Ligand-Target Pair
Tubulin beta chain


(Sus scrofa)
BDBM50485947
PNG
(CHEMBL2181008)
Show SMILES COc1cc2CC[C@H](NCc3ccc(F)cc3)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC |r|
Show InChI InChI=1S/C27H28FNO5/c1-31-23-12-10-19-20(14-22(23)30)21(29-15-16-5-8-18(28)9-6-16)11-7-17-13-24(32-2)26(33-3)27(34-4)25(17)19/h5-6,8-10,12-14,21,29H,7,11,15H2,1-4H3/t21-/m0/s1
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0.183n/an/an/an/an/an/an/an/a



University of Bradford

Curated by ChEMBL


Assay Description
Binding affinity to pig brain tubulin


J Med Chem 55: 11062-6 (2012)


Article DOI: 10.1021/jm301151t
BindingDB Entry DOI: 10.7270/Q22V2K0N
More data for this
Ligand-Target Pair
Tubulin beta chain


(Sus scrofa)
BDBM50485949
PNG
(CHEMBL2180999)
Show SMILES COc1cc2CC[C@H](NCc3cccc(F)c3F)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC |r|
Show InChI InChI=1S/C27H27F2NO5/c1-32-22-11-9-17-18(13-21(22)31)20(30-14-16-6-5-7-19(28)25(16)29)10-8-15-12-23(33-2)26(34-3)27(35-4)24(15)17/h5-7,9,11-13,20,30H,8,10,14H2,1-4H3/t20-/m0/s1
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0.198n/an/an/an/an/an/an/an/a



University of Bradford

Curated by ChEMBL


Assay Description
Binding affinity to pig brain tubulin


J Med Chem 55: 11062-6 (2012)


Article DOI: 10.1021/jm301151t
BindingDB Entry DOI: 10.7270/Q22V2K0N
More data for this
Ligand-Target Pair
Tubulin beta chain


(Sus scrofa)
BDBM50485948
PNG
(CHEMBL2181007)
Show SMILES COc1cc2CC[C@H](NCc3ccc(I)cc3)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC |r|
Show InChI InChI=1S/C27H28INO5/c1-31-23-12-10-19-20(14-22(23)30)21(29-15-16-5-8-18(28)9-6-16)11-7-17-13-24(32-2)26(33-3)27(34-4)25(17)19/h5-6,8-10,12-14,21,29H,7,11,15H2,1-4H3/t21-/m0/s1
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0.280n/an/an/an/an/an/an/an/a



University of Bradford

Curated by ChEMBL


Assay Description
Binding affinity to pig brain tubulin


J Med Chem 55: 11062-6 (2012)


Article DOI: 10.1021/jm301151t
BindingDB Entry DOI: 10.7270/Q22V2K0N
More data for this
Ligand-Target Pair
Tubulin beta chain


(Sus scrofa)
BDBM50485940
PNG
(CHEMBL2181005)
Show SMILES COc1cc2CC[C@H](NCc3ccc(Br)cc3)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC |r|
Show InChI InChI=1S/C27H28BrNO5/c1-31-23-12-10-19-20(14-22(23)30)21(29-15-16-5-8-18(28)9-6-16)11-7-17-13-24(32-2)26(33-3)27(34-4)25(17)19/h5-6,8-10,12-14,21,29H,7,11,15H2,1-4H3/t21-/m0/s1
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0.367n/an/an/an/an/an/an/an/a



University of Bradford

Curated by ChEMBL


Assay Description
Binding affinity to pig brain tubulin


J Med Chem 55: 11062-6 (2012)


Article DOI: 10.1021/jm301151t
BindingDB Entry DOI: 10.7270/Q22V2K0N
More data for this
Ligand-Target Pair
Tubulin beta chain


(Sus scrofa)
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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1.60n/an/an/an/an/an/an/an/a



University of Bradford

Curated by ChEMBL


Assay Description
Binding affinity to pig brain tubulin


J Med Chem 55: 11062-6 (2012)


Article DOI: 10.1021/jm301151t
BindingDB Entry DOI: 10.7270/Q22V2K0N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tubulin beta chain


(Sus scrofa)
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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2.18E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against tubulin using [3H]colchicine as radioligand


J Med Chem 23: 546-9 (1980)


BindingDB Entry DOI: 10.7270/Q2XK8HRZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tubulin beta chain


(Sus scrofa)
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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5.75E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against tubulin usingf [3H]-colchicine as radioligand


J Med Chem 23: 546-9 (1980)


BindingDB Entry DOI: 10.7270/Q2XK8HRZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tubulin beta chain


(Sus scrofa)
BDBM50146019
PNG
(steganacin)
Show SMILES [H][C@]12Cc3cc(OC)c(OC)c(OC)c3-c3cc4OCOc4cc3[C@@]([H])(OC(C)=O)C1COC2=O
Show InChI InChI=1S/C29H38N6O5/c1-18-25(4-2-14-32-27(38)23(30)16-19-6-10-21(36)11-7-19)35-29(40)26(34-18)5-3-15-33-28(39)24(31)17-20-8-12-22(37)13-9-20/h6-13,23-24,36-37H,2-5,14-17,30-31H2,1H3,(H,32,38)(H,33,39)(H,35,40)
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1.05E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against tubulin using [3H]colchicine as radioligand


J Med Chem 23: 546-9 (1980)


BindingDB Entry DOI: 10.7270/Q2XK8HRZ
More data for this
Ligand-Target Pair
Tubulin beta chain


(Sus scrofa)
BDBM50146021
PNG
(CHEMBL152714)
Show SMILES [H][C@@]12COC(=O)[C@]1([H])Cc1cc(OC)c(OC)c(OC)c1-c1cc3OCOc3cc1C2
Show InChI InChI=1S/C35H50N6O5/c1-20-14-25(42)15-21(2)27(20)18-29(36)33(44)38-12-8-6-10-31-24(5)40-32(35(46)41-31)11-7-9-13-39-34(45)30(37)19-28-22(3)16-26(43)17-23(28)4/h14-17,29-30,42-43H,6-13,18-19,36-37H2,1-5H3,(H,38,44)(H,39,45)(H,41,46)
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3.20E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against tubulin using [3H]colchicine as radioligand


J Med Chem 23: 546-9 (1980)


BindingDB Entry DOI: 10.7270/Q2XK8HRZ
More data for this
Ligand-Target Pair
Tubulin beta chain


(Sus scrofa)
BDBM50146017
PNG
(CHEMBL152476)
Show SMILES [H][C@@]12COC(=O)[C@@]1([H])Cc1cc(OC)c(OC)c(OC)c1-c1cc3OCOc3cc1C2
Show InChI InChI=1S/C33H46N6O5/c1-18-12-23(40)13-19(2)25(18)16-27(34)31(42)36-10-6-8-29-22(5)38-30(33(44)39-29)9-7-11-37-32(43)28(35)17-26-20(3)14-24(41)15-21(26)4/h12-15,27-28,40-41H,6-11,16-17,34-35H2,1-5H3,(H,36,42)(H,37,43)(H,39,44)
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1.00E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against tubulin using [3H]colchicine as radioligand


J Med Chem 23: 546-9 (1980)


BindingDB Entry DOI: 10.7270/Q2XK8HRZ
More data for this
Ligand-Target Pair
Tubulin beta chain


(Sus scrofa)
BDBM50146018
PNG
(CHEMBL3349041)
Show SMILES [H][C@]12Cc3cc(OC)c(OC)c(OC)c3-c3cc4OCOc4cc3C(=O)[C@@H]1COC2=O
Show InChI InChI=1S/C29H38N6O5/c1-14-6-19(36)7-15(2)21(14)10-23(30)27(38)32-12-25-18(5)34-26(29(40)35-25)13-33-28(39)24(31)11-22-16(3)8-20(37)9-17(22)4/h6-9,23-24,36-37H,10-13,30-31H2,1-5H3,(H,32,38)(H,33,39)(H,35,40)
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1.78E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against tubulin using [3H]colchicine as radioligand


J Med Chem 23: 546-9 (1980)


BindingDB Entry DOI: 10.7270/Q2XK8HRZ
More data for this
Ligand-Target Pair
Tubulin beta chain


(Sus scrofa)
BDBM50146022
PNG
(CHEMBL346865)
Show SMILES COc1cc(CC2CCOC2=O)c(c(OC)c1OC)-c1cc2OCOc2cc1CO |(-3.44,-16.46,;-1.94,-16.05,;-1.55,-14.56,;-.08,-14.15,;.31,-12.68,;1.86,-12.68,;2.62,-14.01,;4.15,-13.82,;4.82,-15.22,;3.69,-16.26,;2.34,-15.52,;.94,-16.18,;-.78,-11.59,;-2.26,-11.99,;-3.35,-10.9,;-4.83,-11.31,;-2.65,-13.47,;-4.13,-13.89,;-5.22,-12.8,;-.78,-10.05,;-2.26,-9.66,;-2.67,-8.18,;-4.07,-7.48,;-3.83,-5.93,;-2.3,-5.67,;-1.58,-7.07,;-.09,-7.46,;.31,-8.96,;1.81,-9.36,;2.88,-8.27,)|
Show InChI InChI=1S/C31H42N6O5/c1-20-27(6-2-4-16-34-29(40)25(32)18-21-8-12-23(38)13-9-21)37-31(42)28(36-20)7-3-5-17-35-30(41)26(33)19-22-10-14-24(39)15-11-22/h8-15,25-26,38-39H,2-7,16-19,32-33H2,1H3,(H,34,40)(H,35,41)(H,37,42)
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1.85E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against tubulin using [3H]colchicine as radioligand


J Med Chem 23: 546-9 (1980)


BindingDB Entry DOI: 10.7270/Q2XK8HRZ
More data for this
Ligand-Target Pair
Tubulin beta chain


(Sus scrofa)
BDBM50146018
PNG
(CHEMBL3349041)
Show SMILES [H][C@]12Cc3cc(OC)c(OC)c(OC)c3-c3cc4OCOc4cc3C(=O)[C@@H]1COC2=O
Show InChI InChI=1S/C29H38N6O5/c1-14-6-19(36)7-15(2)21(14)10-23(30)27(38)32-12-25-18(5)34-26(29(40)35-25)13-33-28(39)24(31)11-22-16(3)8-20(37)9-17(22)4/h6-9,23-24,36-37H,10-13,30-31H2,1-5H3,(H,32,38)(H,33,39)(H,35,40)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
1.85E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against tubulin usingf [3H]-colchicine as radioligand


J Med Chem 23: 546-9 (1980)


BindingDB Entry DOI: 10.7270/Q2XK8HRZ
More data for this
Ligand-Target Pair
Tubulin beta chain


(Sus scrofa)
BDBM50146016
PNG
(CHEMBL149525)
Show SMILES [H][C@@]12C(COC1=O)Cc1cc3OCOc3cc1[C@H]2c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C31H42N6O5/c1-16-10-21(38)11-17(2)23(16)14-25(32)29(40)34-8-6-27-20(5)36-28(31(42)37-27)7-9-35-30(41)26(33)15-24-18(3)12-22(39)13-19(24)4/h10-13,25-26,38-39H,6-9,14-15,32-33H2,1-5H3,(H,34,40)(H,35,41)(H,37,42)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Similars

PubMed
2.01E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against tubulin using [3H]colchicine as radioligand


J Med Chem 23: 546-9 (1980)


BindingDB Entry DOI: 10.7270/Q2XK8HRZ
More data for this
Ligand-Target Pair