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Compile Data Set for Download or QSAR

Found 24 hits Enz. Inhib. hit(s) with Target = 'Tubulin--tyrosine ligase' AND taxid = 9606   
Target
(Institution)
LigandTarget
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--tyrosine ligase


(Homo sapiens)
BDBM18129
PNG
((2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid | L...)
Show SMILES N[C@@H](Cc1ccc(O)cc1)C(O)=O
Show InChI InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1
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2.50E+4 -27.3n/an/an/an/an/a6.837



Binghamton University



Assay Description
Inhibition of [3H]-L-tyrosine incorporation into tubulin by enzyme tubulin tyrosine ligase (TTL).


ACS Chem Biol 5: 777-85 (2010)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tubulin--tyrosine ligase


(Homo sapiens)
BDBM36556
PNG
(3-Azidotyrosine)
Show SMILES NC(Cc1ccc(O)c(c1)N=[N]#N)C(O)=O
Show InChI InChI=1S/C9H10N4O3/c10-6(9(15)16)3-5-1-2-8(14)7(4-5)12-13-11/h1-2,4,6,14H,3,10H2,(H,15,16)
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2.00E+5 -22.0n/an/an/an/an/a6.837



Binghamton University



Assay Description
Inhibition of [3H]-L-tyrosine incorporation into tubulin by enzyme tubulin tyrosine ligase (TTL).


ACS Chem Biol 5: 777-85 (2010)

More data for this
Ligand-Target Pair
Tubulin--tyrosine ligase


(Homo sapiens)
BDBM36555
PNG
(3-Aminotyrosine)
Show SMILES NC(Cc1ccc(O)c(N)c1)C(O)=O
Show InChI InChI=1S/C9H12N2O3/c10-6-3-5(1-2-8(6)12)4-7(11)9(13)14/h1-3,7,12H,4,10-11H2,(H,13,14)
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2.00E+5 -22.0n/an/an/an/an/a6.837



Binghamton University



Assay Description
Inhibition of [3H]-L-tyrosine incorporation into tubulin by enzyme tubulin tyrosine ligase (TTL).


ACS Chem Biol 5: 777-85 (2010)

More data for this
Ligand-Target Pair
Tubulin--tyrosine ligase


(Homo sapiens)
BDBM36557
PNG
(3-Formyltyrosine)
Show SMILES NC(Cc1ccc(O)c(C=O)c1)C(O)=O
Show InChI InChI=1S/C10H11NO4/c11-8(10(14)15)4-6-1-2-9(13)7(3-6)5-12/h1-3,5,8,13H,4,11H2,(H,14,15)
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3.00E+5 -20.9n/an/an/an/an/a6.837



Binghamton University



Assay Description
Inhibition of [3H]-L-tyrosine incorporation into tubulin by enzyme tubulin tyrosine ligase (TTL).


ACS Chem Biol 5: 777-85 (2010)

More data for this
Ligand-Target Pair
Tubulin--tyrosine ligase


(Homo sapiens)
BDBM36554
PNG
(3-Nitrotyrosine)
Show SMILES NC(Cc1ccc(O)c(c1)N(=O)=O)C(O)=O
Show InChI InChI=1S/C9H10N2O5/c10-6(9(13)14)3-5-1-2-8(12)7(4-5)11(15)16/h1-2,4,6,12H,3,10H2,(H,13,14)
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4.00E+5 -20.2n/an/an/an/an/a6.837



Binghamton University



Assay Description
Inhibition of [3H]-L-tyrosine incorporation into tubulin by enzyme tubulin tyrosine ligase (TTL).


ACS Chem Biol 5: 777-85 (2010)

More data for this
Ligand-Target Pair
Tubulin--tyrosine ligase


(Homo sapiens)
BDBM36558
PNG
(4-Aminophenylalanine)
Show SMILES NC(Cc1ccc(N)cc1)C(O)=O
Show InChI InChI=1S/C9H12N2O2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,10-11H2,(H,12,13)
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>4.00E+6>-14.2n/an/an/an/an/a6.837



Binghamton University



Assay Description
Inhibition of [3H]-L-tyrosine incorporation into tubulin by enzyme tubulin tyrosine ligase (TTL).


ACS Chem Biol 5: 777-85 (2010)

More data for this
Ligand-Target Pair
Tubulin--tyrosine ligase


(Homo sapiens)
BDBM50293292
PNG
(6alpha,15(S),23-trihydroxy-labd-8(22),13(14),17-tr...)
Show SMILES C\C(CC[C@H]1C(=C)C[C@H](O)[C@H]2[C@](C)(CO)CCC[C@]12C)=C/[C@H](O)[C@H]1OC(=O)C=C1C
Show InChI InChI=1S/C25H38O5/c1-15(11-19(27)22-17(3)13-21(29)30-22)7-8-18-16(2)12-20(28)23-24(4,14-26)9-6-10-25(18,23)5/h11,13,18-20,22-23,26-28H,2,6-10,12,14H2,1,3-5H3/b15-11+/t18-,19-,20-,22-,23-,24-,25+/m0/s1
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n/an/an/a 2.00E+3n/an/an/an/an/a



Universita di Salerno

Curated by ChEMBL


Assay Description
Binding affinity to TTL by surface plasmon resonance


J Med Chem 52: 3814-28 (2009)

More data for this
Ligand-Target Pair
Tubulin--tyrosine ligase


(Homo sapiens)
BDBM50293293
PNG
(6alpha,8alpha-dihydroxy-23-oxo-labd-13(14),17-dien...)
Show SMILES C\C(CC[C@H]1[C@](C)(O)C[C@H](O)[C@H]2[C@@](C)(CCC[C@]12C)C=O)=C/C[C@H]1OC(=O)C=C1C
Show InChI InChI=1S/C25H38O5/c1-16(7-9-19-17(2)13-21(28)30-19)8-10-20-24(4)12-6-11-23(3,15-26)22(24)18(27)14-25(20,5)29/h7,13,15,18-20,22,27,29H,6,8-12,14H2,1-5H3/b16-7+/t18-,19+,20+,22-,23-,24+,25+/m0/s1
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n/an/an/a 810n/an/an/an/an/a



Universita di Salerno

Curated by ChEMBL


Assay Description
Binding affinity to TTL by surface plasmon resonance


J Med Chem 52: 3814-28 (2009)

More data for this
Ligand-Target Pair
Tubulin--tyrosine ligase


(Homo sapiens)
BDBM50293294
PNG
(6alpha,8alpha,15(S)-trihydroxy-23-oxo-labd-13(14),...)
Show SMILES C\C(CC[C@H]1[C@](C)(O)C[C@H](O)[C@H]2[C@@](C)(CCC[C@]12C)C=O)=C/[C@H](O)[C@H]1OC(=O)C=C1C
Show InChI InChI=1S/C25H38O6/c1-15(11-17(27)21-16(2)12-20(29)31-21)7-8-19-24(4)10-6-9-23(3,14-26)22(24)18(28)13-25(19,5)30/h11-12,14,17-19,21-22,27-28,30H,6-10,13H2,1-5H3/b15-11+/t17-,18-,19+,21-,22-,23-,24+,25+/m0/s1
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n/an/an/a 3.00E+3n/an/an/an/an/a



Universita di Salerno

Curated by ChEMBL


Assay Description
Binding affinity to TTL by surface plasmon resonance


J Med Chem 52: 3814-28 (2009)

More data for this
Ligand-Target Pair
Tubulin--tyrosine ligase


(Homo sapiens)
BDBM50293295
PNG
(6alpha,8alpha,15(S)-trihydroxy-23-carbossimethylla...)
Show SMILES COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H](CC\C(C)=C\[C@H](O)[C@H]3OC(=O)C=C3C)[C@](C)(O)C[C@H](O)[C@@H]12
Show InChI InChI=1S/C26H40O7/c1-15(12-17(27)21-16(2)13-20(29)33-21)8-9-19-24(3)10-7-11-25(4,23(30)32-6)22(24)18(28)14-26(19,5)31/h12-13,17-19,21-22,27-28,31H,7-11,14H2,1-6H3/b15-12+/t17-,18-,19+,21-,22+,24+,25+,26+/m0/s1
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n/an/an/a 6.20E+3n/an/an/an/an/a



Universita di Salerno

Curated by ChEMBL


Assay Description
Binding affinity to TTL by surface plasmon resonance


J Med Chem 52: 3814-28 (2009)

More data for this
Ligand-Target Pair
Tubulin--tyrosine ligase


(Homo sapiens)
BDBM50293296
PNG
(6alpha,8alpha-dihydroxy-23-carbossi-labd-13(14),17...)
Show SMILES C\C(CC[C@H]1[C@](C)(O)C[C@H](O)[C@@H]2[C@]1(C)CCC[C@@]2(C)C(O)=O)=C/CC1OC(=O)C=C1C
Show InChI InChI=1S/C25H38O6/c1-15(7-9-18-16(2)13-20(27)31-18)8-10-19-23(3)11-6-12-24(4,22(28)29)21(23)17(26)14-25(19,5)30/h7,13,17-19,21,26,30H,6,8-12,14H2,1-5H3,(H,28,29)/b15-7+/t17-,18?,19+,21+,23+,24+,25+/m0/s1
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n/an/an/a 7n/an/an/an/an/a



Universita di Salerno

Curated by ChEMBL


Assay Description
Binding affinity to TTL by surface plasmon resonance


J Med Chem 52: 3814-28 (2009)

More data for this
Ligand-Target Pair
Tubulin--tyrosine ligase


(Homo sapiens)
BDBM50293297
PNG
(6alpha,8alpha,15(S)-trihydroxy-23-carbossi-labd-13...)
Show SMILES C\C(CC[C@H]1[C@](C)(O)C[C@H](O)[C@@H]2[C@]1(C)CCC[C@@]2(C)C(O)=O)=C/[C@H](O)[C@H]1OC(=O)C=C1C
Show InChI InChI=1S/C25H38O7/c1-14(11-16(26)20-15(2)12-19(28)32-20)7-8-18-23(3)9-6-10-24(4,22(29)30)21(23)17(27)13-25(18,5)31/h11-12,16-18,20-21,26-27,31H,6-10,13H2,1-5H3,(H,29,30)/b14-11+/t16-,17-,18+,20-,21+,23+,24+,25+/m0/s1
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n/an/an/a 3.00E+3n/an/an/an/an/a



Universita di Salerno

Curated by ChEMBL


Assay Description
Binding affinity to TTL by surface plasmon resonance


J Med Chem 52: 3814-28 (2009)

More data for this
Ligand-Target Pair
Tubulin--tyrosine ligase


(Homo sapiens)
BDBM50293298
PNG
(6alpha,8alpha,23-trihydroxy-labd-13(14),17-dien-16...)
Show SMILES C\C(CC[C@H]1[C@](C)(O)C[C@H](O)[C@H]2[C@](C)(CO)CCC[C@]12C)=C/C[C@H]1OC(=O)C=C1C
Show InChI InChI=1S/C25H40O5/c1-16(7-9-19-17(2)13-21(28)30-19)8-10-20-24(4)12-6-11-23(3,15-26)22(24)18(27)14-25(20,5)29/h7,13,18-20,22,26-27,29H,6,8-12,14-15H2,1-5H3/b16-7+/t18-,19+,20+,22-,23-,24+,25+/m0/s1
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n/an/an/a 72n/an/an/an/an/a



Universita di Salerno

Curated by ChEMBL


Assay Description
Binding affinity to TTL by surface plasmon resonance


J Med Chem 52: 3814-28 (2009)

More data for this
Ligand-Target Pair
Tubulin--tyrosine ligase


(Homo sapiens)
BDBM50293299
PNG
(6alpha,8alpha,15(S),23-tetrahydroxy-labd-13(14),17...)
Show SMILES C\C(CC[C@H]1[C@](C)(O)C[C@H](O)[C@H]2[C@](C)(CO)CCC[C@]12C)=C/[C@H](O)[C@H]1OC(=O)C=C1C
Show InChI InChI=1S/C25H40O6/c1-15(11-17(27)21-16(2)12-20(29)31-21)7-8-19-24(4)10-6-9-23(3,14-26)22(24)18(28)13-25(19,5)30/h11-12,17-19,21-22,26-28,30H,6-10,13-14H2,1-5H3/b15-11+/t17-,18-,19+,21-,22-,23-,24+,25+/m0/s1
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n/an/an/a 4.70E+3n/an/an/an/an/a



Universita di Salerno

Curated by ChEMBL


Assay Description
Binding affinity to TTL by surface plasmon resonance


J Med Chem 52: 3814-28 (2009)

More data for this
Ligand-Target Pair
Tubulin--tyrosine ligase


(Homo sapiens)
BDBM50293300
PNG
(8alpha-hydroxy,23alpha-O-ethyl-23,6alpha-epoxy-lab...)
Show SMILES CCO[C@H]1O[C@H]2C[C@@](C)(O)[C@H](CC\C(C)=C\C[C@H]3OC(=O)C=C3C)[C@@]3(C)CCC[C@]1(C)[C@H]23
Show InChI InChI=1S/C27H42O5/c1-7-30-24-26(5)14-8-13-25(4)21(27(6,29)16-20(32-24)23(25)26)12-10-17(2)9-11-19-18(3)15-22(28)31-19/h9,15,19-21,23-24,29H,7-8,10-14,16H2,1-6H3/b17-9+/t19-,20+,21-,23-,24+,25-,26-,27-/m1/s1
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n/an/an/a 73n/an/an/an/an/a



Universita di Salerno

Curated by ChEMBL


Assay Description
Binding affinity to TTL by surface plasmon resonance


J Med Chem 52: 3814-28 (2009)

More data for this
Ligand-Target Pair
Tubulin--tyrosine ligase


(Homo sapiens)
BDBM50293301
PNG
(8alpha,15(S)-dihydroxy,23alpha-O-ethyl-23,6alpha-e...)
Show SMILES CCO[C@H]1O[C@H]2C[C@@](C)(O)[C@H](CC\C(C)=C\[C@H](O)[C@H]3OC(=O)C=C3C)[C@@]3(C)CCC[C@]1(C)[C@H]23
Show InChI InChI=1S/C27H42O6/c1-7-31-24-26(5)12-8-11-25(4)20(27(6,30)15-19(32-24)23(25)26)10-9-16(2)13-18(28)22-17(3)14-21(29)33-22/h13-14,18-20,22-24,28,30H,7-12,15H2,1-6H3/b16-13+/t18-,19-,20+,22-,23+,24-,25+,26+,27+/m0/s1
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n/an/an/a 960n/an/an/an/an/a



Universita di Salerno

Curated by ChEMBL


Assay Description
Binding affinity to TTL by surface plasmon resonance


J Med Chem 52: 3814-28 (2009)

More data for this
Ligand-Target Pair
Tubulin--tyrosine ligase


(Homo sapiens)
BDBM50293302
PNG
(8alpha,15(S),23alpha-trihydroxy-23,6alpha-epoxy-la...)
Show SMILES C\C(CC[C@H]1[C@](C)(O)C[C@@H]2O[C@H](O)[C@]3(C)CCC[C@@]1(C)[C@@H]23)=C/[C@H](O)[C@H]1OC(=O)C=C1C
Show InChI InChI=1S/C25H38O6/c1-14(11-16(26)20-15(2)12-19(27)31-20)7-8-18-23(3)9-6-10-24(4)21(23)17(30-22(24)28)13-25(18,5)29/h11-12,16-18,20-22,26,28-29H,6-10,13H2,1-5H3/b14-11+/t16-,17-,18+,20-,21+,22-,23+,24+,25+/m0/s1
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n/an/an/a 2.10E+5n/an/an/an/an/a



Universita di Salerno

Curated by ChEMBL


Assay Description
Binding affinity to TTL by surface plasmon resonance


J Med Chem 52: 3814-28 (2009)

More data for this
Ligand-Target Pair
Tubulin--tyrosine ligase


(Homo sapiens)
BDBM50293291
PNG
(6alpha,15(S)-dihydroxy-23-oxo-labd-8(22),13(14),17...)
Show SMILES C\C(CC[C@H]1C(=C)C[C@H](O)[C@H]2[C@@](C)(CCC[C@]12C)C=O)=C/[C@H](O)[C@H]1OC(=O)C=C1C
Show InChI InChI=1S/C25H36O5/c1-15(11-19(27)22-17(3)13-21(29)30-22)7-8-18-16(2)12-20(28)23-24(4,14-26)9-6-10-25(18,23)5/h11,13-14,18-20,22-23,27-28H,2,6-10,12H2,1,3-5H3/b15-11+/t18-,19-,20-,22-,23-,24-,25+/m0/s1
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n/an/an/a 3.30E+3n/an/an/an/an/a



Universita di Salerno

Curated by ChEMBL


Assay Description
Binding affinity to TTL by surface plasmon resonance


J Med Chem 52: 3814-28 (2009)

More data for this
Ligand-Target Pair
Tubulin--tyrosine ligase


(Homo sapiens)
BDBM50293290
PNG
(6alpha,8alpha,23-trihydroxy-labd-13(14),15,17-trie...)
Show SMILES C\C(CC[C@H]1[C@](C)(O)C[C@H](O)[C@H]2[C@](C)(CO)CCC[C@]12C)=C/C=C1\OC(=O)C=C1C
Show InChI InChI=1S/C25H38O5/c1-16(7-9-19-17(2)13-21(28)30-19)8-10-20-24(4)12-6-11-23(3,15-26)22(24)18(27)14-25(20,5)29/h7,9,13,18,20,22,26-27,29H,6,8,10-12,14-15H2,1-5H3/b16-7+,19-9-/t18-,20+,22-,23-,24+,25+/m0/s1
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n/an/an/a 110n/an/an/an/an/a



Universita di Salerno

Curated by ChEMBL


Assay Description
Binding affinity to TTL by surface plasmon resonance


J Med Chem 52: 3814-28 (2009)

More data for this
Ligand-Target Pair
Tubulin--tyrosine ligase


(Homo sapiens)
BDBM50293289
PNG
(6alpha,8alpha-dihydroxy-23-carbossi-labd-13(14),15...)
Show SMILES C\C(CC[C@H]1[C@](C)(O)C[C@H](O)[C@@H]2[C@]1(C)CCC[C@@]2(C)C(O)=O)=C/C=C1\OC(=O)C=C1C
Show InChI InChI=1S/C25H36O6/c1-15(7-9-18-16(2)13-20(27)31-18)8-10-19-23(3)11-6-12-24(4,22(28)29)21(23)17(26)14-25(19,5)30/h7,9,13,17,19,21,26,30H,6,8,10-12,14H2,1-5H3,(H,28,29)/b15-7+,18-9-/t17-,19+,21+,23+,24+,25+/m0/s1
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n/an/an/a 93n/an/an/an/an/a



Universita di Salerno

Curated by ChEMBL


Assay Description
Binding affinity to TTL by surface plasmon resonance


J Med Chem 52: 3814-28 (2009)

More data for this
Ligand-Target Pair
Tubulin--tyrosine ligase


(Homo sapiens)
BDBM50293288
PNG
(6alpha,8alpha-dihydroxy-23-oxo-13(14),15,17-trien-...)
Show SMILES C\C(CC[C@H]1[C@](C)(O)C[C@H](O)[C@H]2[C@@](C)(CCC[C@]12C)C=O)=C/C=C1\OC(=O)C=C1C
Show InChI InChI=1S/C25H36O5/c1-16(7-9-19-17(2)13-21(28)30-19)8-10-20-24(4)12-6-11-23(3,15-26)22(24)18(27)14-25(20,5)29/h7,9,13,15,18,20,22,27,29H,6,8,10-12,14H2,1-5H3/b16-7+,19-9-/t18-,20+,22-,23-,24+,25+/m0/s1
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n/an/an/a 200n/an/an/an/an/a



Universita di Salerno

Curated by ChEMBL


Assay Description
Binding affinity to TTL by surface plasmon resonance


J Med Chem 52: 3814-28 (2009)

More data for this
Ligand-Target Pair
Tubulin--tyrosine ligase


(Homo sapiens)
BDBM50293287
PNG
(8alpha-hydroxylabd-13(14),15,17-trien-6alpha,23-16...)
Show SMILES C\C(CC[C@H]1[C@](C)(O)C[C@@H]2OC(=O)[C@]3(C)CCC[C@@]1(C)[C@@H]23)=C/C=C1\OC(=O)C=C1C
Show InChI InChI=1S/C25H34O5/c1-15(7-9-17-16(2)13-20(26)29-17)8-10-19-23(3)11-6-12-24(4)21(23)18(30-22(24)27)14-25(19,5)28/h7,9,13,18-19,21,28H,6,8,10-12,14H2,1-5H3/b15-7+,17-9-/t18-,19+,21+,23+,24+,25+/m0/s1
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n/an/an/a 150n/an/an/an/an/a



Universita di Salerno

Curated by ChEMBL


Assay Description
Binding affinity to TTL by surface plasmon resonance


J Med Chem 52: 3814-28 (2009)

More data for this
Ligand-Target Pair
Tubulin--tyrosine ligase


(Homo sapiens)
BDBM50293285
PNG
(23,6alpha-epoxy-labd-8,13(14),17-trien-16(R),19-ol...)
Show SMILES C\C(CC[C@H]1C(=C)C[C@@H]2OC[C@]3(C)CCC[C@@]1(C)[C@@H]23)=C/C[C@H]1OC(=O)C=C1C
Show InChI InChI=1S/C25H36O3/c1-16(8-10-20-18(3)14-22(26)28-20)7-9-19-17(2)13-21-23-24(4,15-27-21)11-6-12-25(19,23)5/h8,14,19-21,23H,2,6-7,9-13,15H2,1,3-5H3/b16-8+/t19-,20+,21-,23-,24-,25+/m0/s1
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n/an/an/a 8.70E+3n/an/an/an/an/a



Universita di Salerno

Curated by ChEMBL


Assay Description
Binding affinity to TTL by surface plasmon resonance


J Med Chem 52: 3814-28 (2009)

More data for this
Ligand-Target Pair
Tubulin--tyrosine ligase


(Homo sapiens)
BDBM50293286
PNG
(8alpha-23-dihydroxy-23,6alpha-epoxy-labd-13(14),15...)
Show SMILES C\C(CC[C@H]1[C@](C)(O)C[C@@H]2OC(O)[C@]3(C)CCC[C@@]1(C)[C@@H]23)=C/C=C1\OC(=O)C=C1C
Show InChI InChI=1S/C25H36O5/c1-15(7-9-17-16(2)13-20(26)29-17)8-10-19-23(3)11-6-12-24(4)21(23)18(30-22(24)27)14-25(19,5)28/h7,9,13,18-19,21-22,27-28H,6,8,10-12,14H2,1-5H3/b15-7+,17-9-/t18-,19+,21+,22?,23+,24+,25+/m0/s1
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n/an/an/a 480n/an/an/an/an/a



Universita di Salerno

Curated by ChEMBL


Assay Description
Binding affinity to TTL by surface plasmon resonance


J Med Chem 52: 3814-28 (2009)

More data for this
Ligand-Target Pair