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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=1/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-/s2
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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
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
Show InChI InChI=1/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-/s2
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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
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 | steganacin)
Show SMILES COc1cc2C[C@H]3C(COC3=O)[C@H](OC(C)=O)c3cc4OCOc4cc3-c2c(OC)c1OC
Show InChI InChI=1S/C24H24O9/c1-11(25)33-21-14-8-18-17(31-10-32-18)7-13(14)20-12(5-15-16(21)9-30-24(15)26)6-19(27-2)22(28-3)23(20)29-4/h6-8,15-16,21H,5,9-10H2,1-4H3/t15-,16?,21+/m0/s1
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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
BindingDB Entry DOI: 10.7270/Q2XK8HRZ
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/C22H22O7/c1-24-18-7-12-5-15-13(9-27-22(15)23)4-11-6-16-17(29-10-28-16)8-14(11)19(12)21(26-3)20(18)25-2/h6-8,13,15H,4-5,9-10H2,1-3H3/t13-,15-/m1/s1
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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
BindingDB Entry DOI: 10.7270/Q2XK8HRZ
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/C22H22O7/c1-24-18-7-12-5-15-13(9-27-22(15)23)4-11-6-16-17(29-10-28-16)8-14(11)19(12)21(26-3)20(18)25-2/h6-8,13,15H,4-5,9-10H2,1-3H3/t13-,15+/m1/s1
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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
BindingDB Entry DOI: 10.7270/Q2XK8HRZ
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/C22H20O8/c1-25-17-5-10-4-13-14(8-28-22(13)24)19(23)12-7-16-15(29-9-30-16)6-11(12)18(10)21(27-3)20(17)26-2/h5-7,13-14H,4,8-9H2,1-3H3/t13-,14+/m0/s1
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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
BindingDB Entry DOI: 10.7270/Q2XK8HRZ
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/C22H20O8/c1-25-17-5-10-4-13-14(8-28-22(13)24)19(23)12-7-16-15(29-9-30-16)6-11(12)18(10)21(27-3)20(17)26-2/h5-7,13-14H,4,8-9H2,1-3H3/t13-,14+/m0/s1
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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
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
Show InChI InChI=1/C22H24O8/c1-25-18-7-13(6-12-4-5-28-22(12)24)19(21(27-3)20(18)26-2)15-9-17-16(29-11-30-17)8-14(15)10-23/h7-9,12,23H,4-6,10-11H2,1-3H3
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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
BindingDB Entry DOI: 10.7270/Q2XK8HRZ
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/C22H22O7/c1-24-17-6-12(7-18(25-2)21(17)26-3)19-14-8-16-15(28-10-29-16)5-11(14)4-13-9-27-22(23)20(13)19/h5-8,13,19-20H,4,9-10H2,1-3H3/t13?,19-,20+/m1/s1
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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
BindingDB Entry DOI: 10.7270/Q2XK8HRZ
More data for this
Ligand-Target Pair