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Compile Data Set for Download or QSAR

Found 9 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)
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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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)


Article DOI: 10.1021/jm00179a014
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
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)


Article DOI: 10.1021/jm00179a014
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tubulin beta chain


(Sus scrofa)
BDBM50146019
PNG
(STEGANACIN | steganacin)
Show SMILES COc1cc2C[C@H]3C(COC3=O)[C@H](OC(C)=O)c3cc4OCOc4cc3-c2c(OC)c1OC
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)


Article DOI: 10.1021/jm00179a014
More data for this
Ligand-Target Pair
Tubulin beta chain


(Sus scrofa)
BDBM50146021
PNG
(CHEMBL152714)
Show SMILES COc1cc2C[C@@H]3[C@@H](COC3=O)Cc3cc4OCOc4cc3-c2c(OC)c1OC
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)


Article DOI: 10.1021/jm00179a014
More data for this
Ligand-Target Pair
Tubulin beta chain


(Sus scrofa)
BDBM50146017
PNG
(CHEMBL152476)
Show SMILES COc1cc2C[C@H]3[C@@H](COC3=O)Cc3cc4OCOc4cc3-c2c(OC)c1OC
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)


Article DOI: 10.1021/jm00179a014
More data for this
Ligand-Target Pair
Tubulin beta chain


(Sus scrofa)
BDBM50146018
PNG
(CHEMBL3349041)
Show SMILES COc1cc2C[C@H]3[C@@H](COC3=O)C(=O)c3cc4OCOc4cc3-c2c(OC)c1OC
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)


Article DOI: 10.1021/jm00179a014
More data for this
Ligand-Target Pair
Tubulin beta chain


(Sus scrofa)
BDBM50146018
PNG
(CHEMBL3349041)
Show SMILES COc1cc2C[C@H]3[C@@H](COC3=O)C(=O)c3cc4OCOc4cc3-c2c(OC)c1OC
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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1.85E+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)


Article DOI: 10.1021/jm00179a014
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
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)


Article DOI: 10.1021/jm00179a014
More data for this
Ligand-Target Pair
Tubulin beta chain


(Sus scrofa)
BDBM50146016
PNG
(CHEMBL149525)
Show SMILES COc1cc(cc(OC)c1OC)[C@H]1[C@@H]2C(COC2=O)Cc2cc3OCOc3cc12
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)
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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)


Article DOI: 10.1021/jm00179a014
More data for this
Ligand-Target Pair