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Compile Data Set for Download or QSAR

Found 31 hits with Last Name = 'mohanakrishnan' and Initial = 'ak'   
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
Tubulin alpha chain /beta chain


(Bos taurus)
BDBM50369013
PNG
(CHEMBL1627442)
Show SMILES CCOc1cc2[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3CCc2cc1O
Show InChI InChI=1S/C20H28O3/c1-3-23-18-11-15-12(10-17(18)21)4-5-14-13(15)8-9-20(2)16(14)6-7-19(20)22/h10-11,13-14,16,19,21-22H,3-9H2,1-2H3/t13-,14+,16-,19-,20-/m0/s1
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n/an/a 660n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of polymerization of purified bovine tubulin


J Med Chem 43: 2419-29 (2000)


Article DOI: 10.1021/jm0001119
BindingDB Entry DOI: 10.7270/Q2B56KD4
More data for this
Ligand-Target Pair
Tubulin alpha chain /beta chain


(Bos taurus)
BDBM50089336
PNG
(9-Ethoxy-12a-methyl-1,2,3,3a,3b,4,10b,11,12,12a-de...)
Show SMILES CCOc1cc2C3CC[C@]4(C)[C@@H](O)CCC4C3CC=Cc2cc1O
Show InChI InChI=1S/C21H28O3/c1-3-24-19-12-16-13(11-18(19)22)5-4-6-15-14(16)9-10-21(2)17(15)7-8-20(21)23/h4-5,11-12,14-15,17,20,22-23H,3,6-10H2,1-2H3/t14?,15?,17?,20-,21-/m0/s1
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n/an/a 850n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of polymerization of purified bovine tubulin


J Med Chem 43: 2419-29 (2000)


Article DOI: 10.1021/jm0001119
BindingDB Entry DOI: 10.7270/Q2B56KD4
More data for this
Ligand-Target Pair
Tubulin alpha chain /beta chain


(Bos taurus)
BDBM50089339
PNG
(9-Ethoxy-12a-methyl-1,2,3,3a,3b,4,5,6,10b,11,12,12...)
Show SMILES CCOc1cc2C3CC[C@]4(C)[C@@H](O)CCC4C3CCCc2cc1O
Show InChI InChI=1S/C21H30O3/c1-3-24-19-12-16-13(11-18(19)22)5-4-6-15-14(16)9-10-21(2)17(15)7-8-20(21)23/h11-12,14-15,17,20,22-23H,3-10H2,1-2H3/t14?,15?,17?,20-,21-/m0/s1
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n/an/a 970n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of polymerization of purified bovine tubulin


J Med Chem 43: 2419-29 (2000)


Article DOI: 10.1021/jm0001119
BindingDB Entry DOI: 10.7270/Q2B56KD4
More data for this
Ligand-Target Pair
Tubulin alpha chain /beta chain


(Bos taurus)
BDBM50060957
PNG
(2-Hydroxyestradol 2-methyl ether | 2-methoxy-17bet...)
Show SMILES COc1cc2[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3CCc2cc1O
Show InChI InChI=1/C19H26O3/c1-19-8-7-12-13(15(19)5-6-18(19)21)4-3-11-9-16(20)17(22-2)10-14(11)12/h9-10,12-13,15,18,20-21H,3-8H2,1-2H3/t12-,13+,15-,18-,19-/s2
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n/an/a 1.40E+3n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of polymerization of purified bovine tubulin


J Med Chem 43: 2419-29 (2000)


Article DOI: 10.1021/jm0001119
BindingDB Entry DOI: 10.7270/Q2B56KD4
More data for this
Ligand-Target Pair
Tubulin alpha chain /beta chain


(Bos taurus)
BDBM50369281
PNG
(CHEMBL1627880)
Show SMILES CCOc1cc2[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3CC(=O)c2cc1O
Show InChI InChI=1S/C20H26O4/c1-3-24-18-10-12-11-6-7-20(2)15(4-5-19(20)23)13(11)8-16(21)14(12)9-17(18)22/h9-11,13,15,19,22-23H,3-8H2,1-2H3/t11-,13-,15+,19+,20+/m1/s1
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n/an/a 3.00E+3n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of polymerization of purified bovine tubulin


J Med Chem 43: 2419-29 (2000)


Article DOI: 10.1021/jm0001119
BindingDB Entry DOI: 10.7270/Q2B56KD4
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50060957
PNG
(2-Hydroxyestradol 2-methyl ether | 2-methoxy-17bet...)
Show SMILES COc1cc2[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3CCc2cc1O
Show InChI InChI=1/C19H26O3/c1-19-8-7-12-13(15(19)5-6-18(19)21)4-3-11-9-16(20)17(22-2)10-14(11)12/h9-10,12-13,15,18,20-21H,3-8H2,1-2H3/t12-,13+,15-,18-,19-/s2
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n/an/a 4.70E+3n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization measured at 12 uM tubulin concentration.


J Med Chem 45: 4748-54 (2002)

More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50471279
PNG
(CHEMBL1627461)
Show SMILES CC#Cc1cc2[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3CCc2cc1O
Show InChI InChI=1S/C21H26O2/c1-3-4-14-11-17-13(12-19(14)22)5-6-16-15(17)9-10-21(2)18(16)7-8-20(21)23/h11-12,15-16,18,20,22-23H,5-10H2,1-2H3/t15-,16+,18-,20-,21-/m0/s1
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n/an/a 4.90E+3n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization measured at 12 uM tubulin concentration.


J Med Chem 45: 4748-54 (2002)

More data for this
Ligand-Target Pair
Tubulin


(Bos taurus)
BDBM50060957
PNG
(2-Hydroxyestradol 2-methyl ether | 2-methoxy-17bet...)
Show SMILES COc1cc2[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3CCc2cc1O
Show InChI InChI=1/C19H26O3/c1-19-8-7-12-13(15(19)5-6-18(19)21)4-3-11-9-16(20)17(22-2)10-14(11)12/h9-10,12-13,15,18,20-21H,3-8H2,1-2H3/t12-,13+,15-,18-,19-/s2
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n/an/a 5.30E+3n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibitory concentration against bovine brain tubulin polymerization


J Med Chem 47: 5126-39 (2004)


Article DOI: 10.1021/jm049647a
BindingDB Entry DOI: 10.7270/Q2CZ37Z8
More data for this
Ligand-Target Pair
Tubulin alpha chain /beta chain


(Bos taurus)
BDBM50089349
PNG
(Acetic acid 1-acetoxy-9-ethoxy-12a-methyl-6-oxo-1,...)
Show SMILES CCOc1cc2C3CC[C@]4(C)[C@H](CCC4C3CCC(=O)c2cc1OC(C)=O)OC(C)=O
Show InChI InChI=1S/C25H32O6/c1-5-29-22-12-18-16-10-11-25(4)20(7-9-24(25)31-15(3)27)17(16)6-8-21(28)19(18)13-23(22)30-14(2)26/h12-13,16-17,20,24H,5-11H2,1-4H3/t16?,17?,20?,24-,25-/m0/s1
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n/an/a 5.50E+3n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of polymerization of purified bovine tubulin


J Med Chem 43: 2419-29 (2000)


Article DOI: 10.1021/jm0001119
BindingDB Entry DOI: 10.7270/Q2B56KD4
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50473973
PNG
(CHEMBL1627989)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)c(\C=C\CO)cc34)[C@@H]1CC[C@@H]2O
Show InChI InChI=1S/C21H28O3/c1-21-9-8-15-16(18(21)6-7-20(21)24)5-4-13-12-19(23)14(3-2-10-22)11-17(13)15/h2-3,11-12,15-16,18,20,22-24H,4-10H2,1H3/b3-2+/t15-,16+,18-,20-,21-/m0/s1
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n/an/a 6.30E+3n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization measured at 12 uM tubulin concentration.


J Med Chem 45: 4748-54 (2002)

More data for this
Ligand-Target Pair
Tubulin alpha chain /beta chain


(Bos taurus)
BDBM50089346
PNG
(CHEMBL310453 | N-(9-Ethoxy-1,8-dihydroxy-12a-methy...)
Show SMILES CCOc1cc2C3CC[C@]4(C)[C@@H](O)CCC4C3CC[C@H](NC(C)=O)c2cc1O
Show InChI InChI=1S/C23H33NO4/c1-4-28-21-12-16-14-9-10-23(3)18(6-8-22(23)27)15(14)5-7-19(24-13(2)25)17(16)11-20(21)26/h11-12,14-15,18-19,22,26-27H,4-10H2,1-3H3,(H,24,25)/t14?,15?,18?,19-,22-,23-/m0/s1
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n/an/a 6.90E+3n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of polymerization of purified bovine tubulin


J Med Chem 43: 2419-29 (2000)


Article DOI: 10.1021/jm0001119
BindingDB Entry DOI: 10.7270/Q2B56KD4
More data for this
Ligand-Target Pair
Tubulin alpha chain /beta chain


(Bos taurus)
BDBM50089347
PNG
(9-Ethoxy-1,8-dihydroxy-12a-methyl-2,3,3a,3b,4,6,10...)
Show SMILES CCOc1cc2C3CC[C@]4(C)[C@@H](O)CCC4C3CC(=O)Cc2cc1O
Show InChI InChI=1S/C21H28O4/c1-3-25-19-11-15-12(9-18(19)23)8-13(22)10-16-14(15)6-7-21(2)17(16)4-5-20(21)24/h9,11,14,16-17,20,23-24H,3-8,10H2,1-2H3/t14?,16?,17?,20-,21-/m0/s1
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n/an/a 8.10E+3n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of polymerization of purified bovine tubulin


J Med Chem 43: 2419-29 (2000)


Article DOI: 10.1021/jm0001119
BindingDB Entry DOI: 10.7270/Q2B56KD4
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50473970
PNG
(CHEMBL1627639)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)c(OCCO)cc34)[C@@H]1CC[C@@H]2O
Show InChI InChI=1S/C20H28O4/c1-20-7-6-13-14(16(20)4-5-19(20)23)3-2-12-10-17(22)18(11-15(12)13)24-9-8-21/h10-11,13-14,16,19,21-23H,2-9H2,1H3/t13-,14+,16-,19-,20-/m0/s1
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n/an/a 9.60E+3n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization measured at 12 uM tubulin concentration.


J Med Chem 45: 4748-54 (2002)

More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50473967
PNG
(CHEMBL1627950)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)c(cc34)C#C)[C@@H]1CC[C@@H]2O
Show InChI InChI=1S/C20H24O2/c1-3-12-10-16-13(11-18(12)21)4-5-15-14(16)8-9-20(2)17(15)6-7-19(20)22/h1,10-11,14-15,17,19,21-22H,4-9H2,2H3/t14-,15+,17-,19-,20-/m0/s1
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n/an/a 1.30E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization measured at 12 uM tubulin concentration.


J Med Chem 45: 4748-54 (2002)

More data for this
Ligand-Target Pair
Tubulin alpha chain /beta chain


(Bos taurus)
BDBM50089335
PNG
(9-Ethoxy-1,8-dihydroxy-12a-methyl-2,3,3a,3b,4,5,10...)
Show SMILES CCOc1cc2C3CC[C@]4(C)[C@@H](O)CCC4C3CC\C(=N/OC)c2cc1O
Show InChI InChI=1S/C22H31NO4/c1-4-27-20-12-15-13-9-10-22(2)17(6-8-21(22)25)14(13)5-7-18(23-26-3)16(15)11-19(20)24/h11-14,17,21,24-25H,4-10H2,1-3H3/b23-18+/t13?,14?,17?,21-,22-/m0/s1
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n/an/a 3.00E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of polymerization of purified bovine tubulin


J Med Chem 43: 2419-29 (2000)


Article DOI: 10.1021/jm0001119
BindingDB Entry DOI: 10.7270/Q2B56KD4
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50473971
PNG
(CHEMBL1627635)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)c(cc34)C#N)[C@@H]1CC[C@@H]2O
Show InChI InChI=1S/C19H23NO2/c1-19-7-6-13-14(16(19)4-5-18(19)22)3-2-11-9-17(21)12(10-20)8-15(11)13/h8-9,13-14,16,18,21-22H,2-7H2,1H3/t13-,14+,16-,18-,19-/m0/s1
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n/an/a>4.00E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization measured at 12 uM tubulin concentration.


J Med Chem 45: 4748-54 (2002)

More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50473969
PNG
(CHEMBL1628072)
Show SMILES COc1cc(\C=C\c2cc3[C@H]4CC[C@]5(C)[C@@H](O)CC[C@H]5[C@@H]4CCc3cc2O)cc(OC)c1OC
Show InChI InChI=1S/C29H36O5/c1-29-12-11-20-21(23(29)9-10-27(29)31)8-7-18-16-24(30)19(15-22(18)20)6-5-17-13-25(32-2)28(34-4)26(14-17)33-3/h5-6,13-16,20-21,23,27,30-31H,7-12H2,1-4H3/b6-5+/t20-,21+,23-,27-,29-/m0/s1
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n/an/a>4.00E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization measured at 12 uM tubulin concentration.


J Med Chem 45: 4748-54 (2002)

More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50473972
PNG
(CHEMBL1628163)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)c(\C=N\CCO)cc34)[C@@H]1CC[C@@H]2O
Show InChI InChI=1S/C21H29NO3/c1-21-7-6-15-16(18(21)4-5-20(21)25)3-2-13-11-19(24)14(10-17(13)15)12-22-8-9-23/h10-12,15-16,18,20,23-25H,2-9H2,1H3/b22-12+/t15-,16+,18-,20-,21-/m0/s1
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n/an/a>4.00E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization measured at 12 uM tubulin concentration.


J Med Chem 45: 4748-54 (2002)

More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50473968
PNG
(CHEMBL1627641)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)c(cc34)C#Cc3ccccc3)[C@@H]1CC[C@@H]2O
Show InChI InChI=1S/C26H28O2/c1-26-14-13-20-21(23(26)11-12-25(26)28)10-9-18-16-24(27)19(15-22(18)20)8-7-17-5-3-2-4-6-17/h2-6,15-16,20-21,23,25,27-28H,9-14H2,1H3/t20-,21+,23-,25-,26-/m0/s1
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n/an/a>4.00E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization measured at 12 uM tubulin concentration.


J Med Chem 45: 4748-54 (2002)

More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50473966
PNG
(CHEMBL1627642)
Show SMILES CN(C)CC\N=C\c1cc2[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3CCc2cc1O
Show InChI InChI=1S/C23H34N2O2/c1-23-9-8-17-18(20(23)6-7-22(23)27)5-4-15-13-21(26)16(12-19(15)17)14-24-10-11-25(2)3/h12-14,17-18,20,22,26-27H,4-11H2,1-3H3/b24-14+/t17-,18+,20-,22-,23-/m0/s1
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n/an/a>4.00E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization measured at 12 uM tubulin concentration.


J Med Chem 45: 4748-54 (2002)

More data for this
Ligand-Target Pair
Tubulin alpha chain /beta chain


(Bos taurus)
BDBM50089340
PNG
(9-Ethoxy-1,8-dihydroxy-12a-methyl-2,3,3a,3b,4,5,10...)
Show SMILES CCOc1cc2C3CC[C@]4(C)[C@@H](O)CCC4C3CCC(N=O)c2cc1O
Show InChI InChI=1S/C21H29NO4/c1-3-26-19-11-14-12-8-9-21(2)16(5-7-20(21)24)13(12)4-6-17(22-25)15(14)10-18(19)23/h10-13,16-17,20,23-24H,3-9H2,1-2H3/t12?,13?,16?,17?,20-,21-/m0/s1
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n/an/a 5.70E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of polymerization of purified bovine tubulin


J Med Chem 43: 2419-29 (2000)


Article DOI: 10.1021/jm0001119
BindingDB Entry DOI: 10.7270/Q2B56KD4
More data for this
Ligand-Target Pair
Tubulin alpha chain /beta chain


(Bos taurus)
BDBM50089345
PNG
(B-Homo-2-ethoxy-3,17beta-estradiol-7-tosylhydrazon...)
Show SMILES CCOc1cc2C3CC[C@]4(C)[C@@H](O)CCC4C3CC(Cc2cc1O)=NNS(=O)(=O)c1ccc(C)cc1
Show InChI InChI=1S/C28H36N2O5S/c1-4-35-26-16-22-18(14-25(26)31)13-19(29-30-36(33,34)20-7-5-17(2)6-8-20)15-23-21(22)11-12-28(3)24(23)9-10-27(28)32/h5-8,14,16,21,23-24,27,30-32H,4,9-13,15H2,1-3H3/b29-19+/t21?,23?,24?,27-,28-/m0/s1
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n/an/a 8.00E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of polymerization of purified bovine tubulin


J Med Chem 43: 2419-29 (2000)


Article DOI: 10.1021/jm0001119
BindingDB Entry DOI: 10.7270/Q2B56KD4
More data for this
Ligand-Target Pair
Tubulin alpha chain /beta chain


(Bos taurus)
BDBM50089351
PNG
(9-Ethoxy-1,8-dihydroxy-12a-methyl-2,3,3a,3b,4,6,10...)
Show SMILES CCOc1cc2C3CC[C@]4(C)[C@@H](O)CCC4C3CC(Cc2cc1O)N=O
Show InChI InChI=1S/C21H29NO4/c1-3-26-19-11-15-12(9-18(19)23)8-13(22-25)10-16-14(15)6-7-21(2)17(16)4-5-20(21)24/h9,11,13-14,16-17,20,23-24H,3-8,10H2,1-2H3/t13?,14?,16?,17?,20-,21-/m0/s1
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n/an/a 9.90E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of polymerization of purified bovine tubulin


J Med Chem 43: 2419-29 (2000)


Article DOI: 10.1021/jm0001119
BindingDB Entry DOI: 10.7270/Q2B56KD4
More data for this
Ligand-Target Pair
Tubulin alpha chain /beta chain


(Bos taurus)
BDBM50089342
PNG
(9-Ethoxy-1,8-dihydroxy-12a-methyl-2,3,3a,3b,4,5,10...)
Show SMILES CCOc1cc2C3CC[C@]4(C)[C@@H](O)CCC4C3CCC(=O)c2cc1O
Show InChI InChI=1S/C21H28O4/c1-3-25-19-11-14-12-8-9-21(2)16(5-7-20(21)24)13(12)4-6-17(22)15(14)10-18(19)23/h10-13,16,20,23-24H,3-9H2,1-2H3/t12?,13?,16?,20-,21-/m0/s1
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n/an/a 1.30E+5n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of polymerization of purified bovine tubulin


J Med Chem 43: 2419-29 (2000)


Article DOI: 10.1021/jm0001119
BindingDB Entry DOI: 10.7270/Q2B56KD4
More data for this
Ligand-Target Pair
Tubulin alpha chain /beta chain


(Bos taurus)
BDBM50089341
PNG
(Acetic acid 1-acetoxy-9-ethoxy-12a-methyl-1,2,3,3a...)
Show SMILES CCOc1cc2C3CC[C@]4(C)[C@H](CCC4C3CCCc2cc1OC(C)=O)OC(C)=O
Show InChI InChI=1S/C25H34O5/c1-5-28-22-14-20-17(13-23(22)29-15(2)26)7-6-8-19-18(20)11-12-25(4)21(19)9-10-24(25)30-16(3)27/h13-14,18-19,21,24H,5-12H2,1-4H3/t18?,19?,21?,24-,25-/m0/s1
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n/an/a>4.00E+5n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of polymerization of purified bovine tubulin


J Med Chem 43: 2419-29 (2000)


Article DOI: 10.1021/jm0001119
BindingDB Entry DOI: 10.7270/Q2B56KD4
More data for this
Ligand-Target Pair
Tubulin alpha chain /beta chain


(Bos taurus)
BDBM50369526
PNG
(CHEMBL1627477)
Show SMILES CCOc1cc2[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC(=O)c2cc1OC(C)=O)OC(C)=O
Show InChI InChI=1S/C24H30O6/c1-5-28-21-11-16-15-8-9-24(4)19(6-7-23(24)30-14(3)26)17(15)10-20(27)18(16)12-22(21)29-13(2)25/h11-12,15,17,19,23H,5-10H2,1-4H3/t15-,17-,19+,23+,24+/m1/s1
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n/an/an/an/a>4.00E+5n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Effective concentration for enhancement of tubulin assembly rate was determined


J Med Chem 43: 2419-29 (2000)


Article DOI: 10.1021/jm0001119
BindingDB Entry DOI: 10.7270/Q2B56KD4
More data for this
Ligand-Target Pair
Tubulin alpha chain /beta chain


(Bos taurus)
BDBM50089338
PNG
(Acetic acid 1-acetoxy-9-ethoxy-12a-methyl-5-oxo-1,...)
Show SMILES CCOc1cc2C3CC[C@]4(C)[C@H](CCC4C3CC(=O)Cc2cc1OC(C)=O)OC(C)=O
Show InChI InChI=1S/C25H32O6/c1-5-29-22-13-19-16(11-23(22)30-14(2)26)10-17(28)12-20-18(19)8-9-25(4)21(20)6-7-24(25)31-15(3)27/h11,13,18,20-21,24H,5-10,12H2,1-4H3/t18?,20?,21?,24-,25-/m0/s1
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Purdue University

Curated by ChEMBL


Assay Description
Effective concentration for enhancement of tubulin assembly rate was determined


J Med Chem 43: 2419-29 (2000)


Article DOI: 10.1021/jm0001119
BindingDB Entry DOI: 10.7270/Q2B56KD4
More data for this
Ligand-Target Pair
Tubulin alpha chain /beta chain


(Bos taurus)
BDBM50089352
PNG
(CHEMBL79445 | N-(9-Ethoxy-1,8-dihydroxy-12a-methyl...)
Show SMILES CCOc1cc2[C@H]3CC[C@]4(C)[C@@H](O)CCC4[C@@H]3CC[C@@H](NC(C)=O)c2cc1O
Show InChI InChI=1S/C23H33NO4/c1-4-28-21-12-16-14-9-10-23(3)18(6-8-22(23)27)15(14)5-7-19(24-13(2)25)17(16)11-20(21)26/h11-12,14-15,18-19,22,26-27H,4-10H2,1-3H3,(H,24,25)/t14-,15+,18?,19+,22-,23-/m0/s1
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n/an/an/an/a>2.00E+5n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Effective concentration for enhancement of tubulin assembly rate was determined


J Med Chem 43: 2419-29 (2000)


Article DOI: 10.1021/jm0001119
BindingDB Entry DOI: 10.7270/Q2B56KD4
More data for this
Ligand-Target Pair
Tubulin alpha chain /beta chain


(Bos taurus)
BDBM50089350
PNG
(Acetic acid 9-ethoxy-8-hydroxy-12a-methyl-6-oxo-1,...)
Show SMILES CCOc1cc2C3CC[C@]4(C)[C@H](CCC4C3CCC(=O)c2cc1O)OC(C)=O
Show InChI InChI=1S/C23H30O5/c1-4-27-21-12-16-14-9-10-23(3)18(6-8-22(23)28-13(2)24)15(14)5-7-19(25)17(16)11-20(21)26/h11-12,14-15,18,22,26H,4-10H2,1-3H3/t14?,15?,18?,22-,23-/m0/s1
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n/an/an/an/a 8.20E+3n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Effective concentration for enhancement of tubulin assembly rate was determined


J Med Chem 43: 2419-29 (2000)


Article DOI: 10.1021/jm0001119
BindingDB Entry DOI: 10.7270/Q2B56KD4
More data for this
Ligand-Target Pair
Tubulin alpha chain /beta chain


(Bos taurus)
BDBM50089343
PNG
(Acetic acid 9-ethoxy-1-hydroxy-12a-methyl-6-oxo-1,...)
Show SMILES CCOc1cc2C3CC[C@]4(C)[C@@H](O)CCC4C3CCC(=O)c2cc1OC(C)=O
Show InChI InChI=1S/C23H30O5/c1-4-27-20-11-16-14-9-10-23(3)18(6-8-22(23)26)15(14)5-7-19(25)17(16)12-21(20)28-13(2)24/h11-12,14-15,18,22,26H,4-10H2,1-3H3/t14?,15?,18?,22-,23-/m0/s1
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n/an/an/an/a 3.60E+5n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Effective concentration for enhancement of tubulin assembly rate was determined


J Med Chem 43: 2419-29 (2000)


Article DOI: 10.1021/jm0001119
BindingDB Entry DOI: 10.7270/Q2B56KD4
More data for this
Ligand-Target Pair
Tubulin alpha chain /beta chain


(Bos taurus)
BDBM50089344
PNG
(Acetic acid 1-acetoxy-9-ethoxy-6-methoxyimino-12a-...)
Show SMILES CCOc1cc2C3CC[C@]4(C)[C@H](CCC4C3CC\C(=N/OC)c2cc1OC(C)=O)OC(C)=O
Show InChI InChI=1S/C26H35NO6/c1-6-31-23-13-19-17-11-12-26(4)21(8-10-25(26)33-16(3)29)18(17)7-9-22(27-30-5)20(19)14-24(23)32-15(2)28/h13-14,17-18,21,25H,6-12H2,1-5H3/b27-22+/t17?,18?,21?,25-,26-/m0/s1
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Purdue University

Curated by ChEMBL


Assay Description
Effective concentration for enhancement of tubulin assembly rate was determined


J Med Chem 43: 2419-29 (2000)


Article DOI: 10.1021/jm0001119
BindingDB Entry DOI: 10.7270/Q2B56KD4
More data for this
Ligand-Target Pair