Found 35 hits Enzyme Inhibition Constant Data Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
Tubulin beta chain
(439/445 = 99%)† (Sus scrofa) | BDBM50014846
((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 | PDB
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| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 Structure (crystal) |
Tubulin beta-2B chain
(445/445 = 100%)† (Bos taurus) | BDBM50014846
((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 | PDB MMDB
Reactome pathway KEGG
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| 780 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Binding constant at colchicine site of bovine brain tubulin |
Bioorg Med Chem Lett 12: 465-9 (2002)
BindingDB Entry DOI: 10.7270/Q2PC32W7 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Tubulin alpha-1A chain
(446/451 = 99%)† (Sus scrofa (Pig)) | BDBM50014846
((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 | PDB MMDB
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| MMDB PDB Article
| 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Compound was evaluated for its ability to inhibit the binding of [3H]-colchicine to tubulin in competitive binding assay |
Bioorg Med Chem Lett 1: 471-476 (1991)
Article DOI: 10.1016/S0960-894X(01)81108-2 BindingDB Entry DOI: 10.7270/Q2Z89C92 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Tubulin beta chain
(439/445 = 99%)† (Sus scrofa) | BDBM50014846
((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 | PDB
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| 5.75E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 Structure (crystal) |
Tubulin beta chain
(439/445 = 99%)† (Sus scrofa) | BDBM50014846
((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 | PDB
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| PDB Article PubMed
| n/a | n/a | 6.70 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cologne
Curated by ChEMBL
| Assay Description Inhibition of porcine brain tubulin polymerization measured every 1 min for 60 mins by microplate reader analysis |
ACS Med Chem Lett 7: 188-91 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00418 BindingDB Entry DOI: 10.7270/Q2D221NQ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Tubulin alpha-1A chain
(446/451 = 99%)† (Sus scrofa (Pig)) | BDBM50014846
((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 | PDB MMDB
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| MMDB PDB PubMed
| n/a | n/a | 800 | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina
Curated by ChEMBL
| Assay Description Inhibition of tubulin polymerization(ITP) |
J Med Chem 44: 3932-6 (2001)
BindingDB Entry DOI: 10.7270/Q2PK0FFW |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Tubulin beta-2B chain
(445/445 = 100%)† (Bos taurus) | BDBM50014846
((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 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| MMDB PDB PubMed
| n/a | n/a | 800 | n/a | n/a | n/a | n/a | n/a | n/a |
School of Pharmacy
Curated by ChEMBL
| Assay Description Inhibition of tubulin polymerization |
J Med Chem 37: 1126-35 (1994)
BindingDB Entry DOI: 10.7270/Q2ZC81XN |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Tubulin beta-2B chain
(445/445 = 100%)† (Bos taurus) | BDBM50014846
((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 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| MMDB PDB Article PubMed
| n/a | n/a | 800 | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina at Chapel Hill 27599
Curated by ChEMBL
| Assay Description Inhibition of bovine tubulin polymerization |
J Med Chem 40: 2266-75 (1997)
Article DOI: 10.1021/jm960858s BindingDB Entry DOI: 10.7270/Q26M35ZF |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Tubulin beta chain
(439/445 = 99%)† (Sus scrofa) | BDBM50014846
((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 | PDB
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| n/a | n/a | 1.06E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Westphalian Wilhelms-University
Curated by ChEMBL
| Assay Description Displacement of [3H]Colchicine from pig biotinylated tubulin after 2 hrs by SPA |
J Med Chem 52: 1284-94 (2009)
Article DOI: 10.1021/jm801338r BindingDB Entry DOI: 10.7270/Q2VD7274 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Tubulin beta chain
(439/445 = 99%)† (Sus scrofa) | BDBM50014846
((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 | PDB
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| n/a | n/a | 1.06E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Westphalian Wilhelms-University
Curated by ChEMBL
| Assay Description Displacement of [3H]colchicine from biotinylated pig brain tubulin after 2 hrs by competitive scintillation proximity assay |
Bioorg Med Chem 19: 4183-91 (2011)
Article DOI: 10.1016/j.bmc.2011.06.010 BindingDB Entry DOI: 10.7270/Q2222XKG |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Tubulin beta chain
(439/445 = 99%)† (Sus scrofa) | BDBM50014846
((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 | PDB
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| n/a | n/a | 1.26E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Westphalian Wilhelms-University
Curated by ChEMBL
| Assay Description In vitro inhibitory concentration required to displace [3H]colchicine from its binding site on tubulin |
J Med Chem 46: 3382-94 (2003)
Article DOI: 10.1021/jm0307685 BindingDB Entry DOI: 10.7270/Q2VT1VVK |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Tubulin beta chain
(439/445 = 99%)† (Sus scrofa) | BDBM50014846
((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 | PDB
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| n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Westphalian Wilhelms-University
Curated by ChEMBL
| Assay Description Inhibition of pig brain tubulin polymerization after 30 mins by turbidimetry analysis |
Bioorg Med Chem 19: 4183-91 (2011)
Article DOI: 10.1016/j.bmc.2011.06.010 BindingDB Entry DOI: 10.7270/Q2222XKG |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Tubulin beta chain
(439/445 = 99%)† (Sus scrofa) | BDBM50014846
((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 | PDB
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| n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Westphalian Wilhelms-University
Curated by ChEMBL
| Assay Description Inhibition of tubulin polymerization in porcine brain |
J Med Chem 49: 7816-25 (2006)
Article DOI: 10.1021/jm0605031 BindingDB Entry DOI: 10.7270/Q28918ND |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Tubulin beta chain
(439/445 = 99%)† (Sus scrofa) | BDBM50014846
((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 | PDB
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| n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Westphalian Wilhelms-University
Curated by ChEMBL
| Assay Description In vitro inhibition of maximum porcine tubulin assembly rate after 20 min at 37 degrees C |
J Med Chem 46: 3382-94 (2003)
Article DOI: 10.1021/jm0307685 BindingDB Entry DOI: 10.7270/Q2VT1VVK |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Tubulin beta chain
(439/445 = 99%)† (Sus scrofa) | BDBM50014846
((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 | PDB
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| n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Westphalian Wilhelms-University
Curated by ChEMBL
| Assay Description Inhibition of pig brain tubulin polymerization after 30 mins by turbidimetric assay |
J Med Chem 52: 1284-94 (2009)
Article DOI: 10.1021/jm801338r BindingDB Entry DOI: 10.7270/Q2VD7274 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Tubulin beta chain
(439/445 = 99%)† (Sus scrofa) | BDBM50014846
((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 | PDB
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| n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
CancerCare Manitoba
Curated by ChEMBL
| Assay Description Inhibition of porcine brain tubulin polymerization |
J Med Chem 50: 6059-66 (2007)
Article DOI: 10.1021/jm0708984 BindingDB Entry DOI: 10.7270/Q20C4ZJP |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Tubulin beta chain
(439/445 = 99%)† (Sus scrofa) | BDBM50014846
((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 | PDB
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| PDB Article PubMed
| n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Westphalian Wilhelms-University
Curated by ChEMBL
| Assay Description Inhibition of pig brain tubulin polymerization after 30 mins by turbidimetry |
Eur J Med Chem 45: 3420-38 (2010)
Article DOI: 10.1016/j.ejmech.2010.04.032 BindingDB Entry DOI: 10.7270/Q2W95D13 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Tubulin beta chain
(439/445 = 99%)† (Sus scrofa) | BDBM50014846
((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 | PDB
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| PDB Article PubMed
| n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Westphalian Wilhelms-University
Curated by ChEMBL
| Assay Description Inhibition of pig tubulin polymerization determined after 45 mins at 37 degC by turbidimetric analysis |
J Med Chem 54: 4247-63 (2011)
Article DOI: 10.1021/jm200436t BindingDB Entry DOI: 10.7270/Q2BK1G7W |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Tubulin alpha-1A chain
(446/451 = 99%)† (Sus scrofa (Pig)) | BDBM50014846
((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 | PDB MMDB
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| MMDB PDB Article
| n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description The compound was evaluated in vitro for the mammalian brain tubulin polymerization using standard assay. |
Bioorg Med Chem Lett 2: 1257-1262 (1992)
Article DOI: 10.1016/S0960-894X(00)80225-5 BindingDB Entry DOI: 10.7270/Q25X29DB |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Similar to alpha-tubulin isoform 1/Tubulin beta-2B chain
(445/445 = 100%)† (Bos taurus) | BDBM50014846
((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 | PDB
KEGG
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| n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
CSIR-Indian Institute of Chemical Technology
Curated by ChEMBL
| Assay Description Inhibition of bovine brain tubulin polymerization measured for 1 hr by fluorescence assay |
Eur J Med Chem 90: 603-19 (2015)
Article DOI: 10.1016/j.ejmech.2014.11.063 BindingDB Entry DOI: 10.7270/Q2ZG6TXF |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Similar to alpha-tubulin isoform 1/Tubulin beta-2B chain
(445/445 = 100%)† (Bos taurus) | BDBM50014846
((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 | PDB
KEGG
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| n/a | n/a | 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Taipei Medical University
Curated by ChEMBL
| Assay Description Inhibition of bovine brain tubulin polymerization after 30 mins |
Bioorg Med Chem 23: 4230-6 (2015)
Article DOI: 10.1016/j.bmc.2015.06.043 BindingDB Entry DOI: 10.7270/Q2571DS7 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Tubulin alpha-1A chain
(446/451 = 99%)† (Sus scrofa (Pig)) | BDBM50014846
((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 | PDB MMDB
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| MMDB PDB Article
| n/a | n/a | 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Tested for 50 % inhibition of tubulin polymerization by turbidimetric assay |
Bioorg Med Chem Lett 3: 581-584 (1993)
Article DOI: 10.1016/S0960-894X(01)81233-6 BindingDB Entry DOI: 10.7270/Q29G5N91 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Tubulin beta chain
(439/445 = 99%)† (Sus scrofa) | BDBM50014846
((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 | PDB
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| PDB Article PubMed
| n/a | n/a | 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Sheffield
Curated by ChEMBL
| Assay Description Inhibition of porcine brain tubulin polymerization assessed as reduction in GTP-induced microtubule assembly after 60 mins by OD340 method |
J Med Chem 58: 9309-33 (2015)
Article DOI: 10.1021/acs.jmedchem.5b01312 BindingDB Entry DOI: 10.7270/Q2Z60S2S |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Tubulin beta-2B chain
(445/445 = 100%)† (Bos taurus) | BDBM50014846
((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 | PDB MMDB
Reactome pathway KEGG
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| MMDB PDB PubMed
| n/a | n/a | 2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
NIDDK
Curated by ChEMBL
| Assay Description Inhibitory effect on the polymerization of purified bovine brain tubulin. |
J Med Chem 33: 567-71 (1990)
BindingDB Entry DOI: 10.7270/Q2FB53HZ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Similar to alpha-tubulin isoform 1/Tubulin beta-2B chain
(445/445 = 100%)† (Bos taurus) | BDBM50014846
((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 | PDB
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| PDB Article PubMed
| n/a | n/a | 2.62E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description Inhibition of bovine brain tubulin polymerization extent after 20 mins by turbidimetrically |
Eur J Med Chem 99: 125-37 (2015)
Article DOI: 10.1016/j.ejmech.2015.05.021 BindingDB Entry DOI: 10.7270/Q2D50PP9 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Tubulin beta chain
(439/445 = 99%)† (Sus scrofa) | BDBM50014846
((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 | PDB
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| PDB Article PubMed
| n/a | n/a | 2.68E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description Inhibition of pig brain tubulin polymerization by spectrophotometry |
J Med Chem 54: 3200-5 (2011)
Article DOI: 10.1021/jm101388d BindingDB Entry DOI: 10.7270/Q2WH2STW |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Tubulin beta-2B chain
(445/445 = 100%)† (Bos taurus) | BDBM50014846
((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 | PDB MMDB
Reactome pathway KEGG
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| MMDB PDB Article
| n/a | n/a | 3.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Compound was evaluated for in vitro inhibitory activity against polymerization of tubulin into microtubules isolated from bovine brain at 1 mg/mL tub... |
Bioorg Med Chem Lett 3: 565-570 (1993)
Article DOI: 10.1016/S0960-894X(01)81230-0 BindingDB Entry DOI: 10.7270/Q2F76D1R |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Tubulin beta chain
(439/445 = 99%)† (Sus scrofa) | BDBM50014846
((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 | PDB
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| PDB Article PubMed
| n/a | n/a | 3.79E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai Institute of Materia Medica
Curated by ChEMBL
| Assay Description Inhibition of porcine tubulin polymerization by UV-Vis microplate reader analysis |
Eur J Med Chem 112: 367-72 (2016)
Article DOI: 10.1016/j.ejmech.2016.02.004 BindingDB Entry DOI: 10.7270/Q2ZK5JHD |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Tubulin alpha-1A chain
(446/451 = 99%)† (Sus scrofa (Pig)) | BDBM50014846
((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 | PDB MMDB
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| MMDB PDB PubMed
| n/a | n/a | 4.17E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of North Carolina at Chapel Hill
Curated by ChEMBL
| Assay Description Inhibition of tubulin polymerization interacting at the colchicine binding site. |
J Med Chem 43: 167-76 (2000)
BindingDB Entry DOI: 10.7270/Q2CV4JZB |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Tubulin beta chain
(418/429 = 97%)† (Homo sapiens) | BDBM50014846
((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 | PDB
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| PDB Article PubMed
| n/a | n/a | 6.93E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
National Research Centre
Curated by ChEMBL
| Assay Description Inhibition of tubulin beta polymerization in human MCF7 cells after 18 to 24 hrs by ELISA based spectrophotometric analysis |
Bioorg Med Chem 26: 3474-3490 (2018)
Article DOI: 10.1016/j.bmc.2018.05.022 BindingDB Entry DOI: 10.7270/Q2J38W3R |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Tubulin beta chain
(439/445 = 99%)† (Sus scrofa) | BDBM50014846
((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 | PDB
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| PDB Article PubMed
| n/a | n/a | 7.85E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bradford
Curated by ChEMBL
| Assay Description Binding affinity to pig brain tubulin polymerization measured every 1 mins of 60 mins by fluorescence assay |
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 Structure (crystal) |
Tubulin beta chain
(439/445 = 99%)† (Sus scrofa) | BDBM50014846
((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 | PDB
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| PDB PubMed
| n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tokyo
Curated by ChEMBL
| Assay Description In vitro tubulin polymerization-inhibitory activity. |
Bioorg Med Chem Lett 8: 1997-2000 (1998)
BindingDB Entry DOI: 10.7270/Q2VH5R10 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Tubulin beta chain
(439/445 = 99%)† (Sus scrofa) | BDBM50014846
((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 | PDB
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| PDB PubMed
| n/a | n/a | 2.93E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Pharmaceutical Co. Ltd.
Curated by ChEMBL
| Assay Description Concentration of compound required to inhibit tubulin polymerization (Microtubule assembly) was determined by the turbidity formation after 20 min of... |
Bioorg Med Chem Lett 12: 3191-3 (2002)
BindingDB Entry DOI: 10.7270/Q2V40XCV |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Tubulin beta-2B chain
(445/445 = 100%)† (Bos taurus) | BDBM50014846
((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 | PDB MMDB
Reactome pathway KEGG
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| MMDB PDB Article PubMed
| n/a | n/a | 1.12E+7 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Virginia
Curated by ChEMBL
| Assay Description Inhibition of tubulin polymerization |
J Med Chem 40: 3836-41 (1997)
Article DOI: 10.1021/jm970323e BindingDB Entry DOI: 10.7270/Q2W09522 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Tubulin beta chain
(439/445 = 99%)† (Sus scrofa) | BDBM50014846
((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 | PDB
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| PDB Article PubMed
| n/a | n/a | n/a | 3.70E+3 | n/a | n/a | n/a | n/a | n/a |
Tokyo University of Pharmacy and Life Sciences
Curated by ChEMBL
| Assay Description Binding affinity to porcine tubulin after 1 hr by spectrofluorometric analysis |
Bioorg Med Chem 19: 595-602 (2011)
Article DOI: 10.1016/j.bmc.2010.10.055 BindingDB Entry DOI: 10.7270/Q2WS8X2Q |
More data for this Ligand-Target Pair | 3D Structure (crystal) |