Found 31 hits Enz. Inhib. hit(s) with Target = 'Tubulin beta chain' and Ligand = 'BDBM50014846' 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
(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 chain
(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
(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 | 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 beta chain
(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 | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Tubulin beta chain
(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
(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
(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
(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
(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
(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
(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
(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 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 beta chain
(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
(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 |
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
(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 | 1.65E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description Inhibition of porcine brain tubulin polymerization incubated for 60 mins by fluorescence-based assay |
J Med Chem 59: 5341-55 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00071 BindingDB Entry DOI: 10.7270/Q2BG2SG3 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Tubulin beta chain
(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 | 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 chain
(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 | 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 chain
(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 | 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 beta chain
(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 | 6.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Fudan University
Curated by ChEMBL
| Assay Description Inhibition of pig brain tubulin polymerization measured every 1 min for 25 mins by spectrophotometric method |
Eur J Med Chem 178: 177-194 (2019)
Article DOI: 10.1016/j.ejmech.2019.05.072 BindingDB Entry DOI: 10.7270/Q2057K92 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Tubulin beta chain
(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 | 6.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114467 BindingDB Entry DOI: 10.7270/Q2WD44M2 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Tubulin beta chain
(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 | 6.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2022.114271 BindingDB Entry DOI: 10.7270/Q2G44VC4 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Tubulin beta chain
(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
UniProtKB/SwissProt
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| 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
(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 | 7.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Southern Medical University
Curated by ChEMBL
| Assay Description Inhibition of pig brain tubulin polymerization in presence of GTP by spectrophotometric analysis |
Eur J Med Chem 184: (2019)
Article DOI: 10.1016/j.ejmech.2019.111732 BindingDB Entry DOI: 10.7270/Q2GT5RGH |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Tubulin beta chain
(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 | 7.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113511 BindingDB Entry DOI: 10.7270/Q2MS3XQV |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Tubulin beta chain
(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 | 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
(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 | 8.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.117007 BindingDB Entry DOI: 10.7270/Q2WH2V39 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Tubulin beta chain
(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 | 9.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmc.2022.117098 BindingDB Entry DOI: 10.7270/Q2NC657S |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Tubulin beta chain
(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 | 1.00E+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
(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 | 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 chain
(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 | 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) |
Tubulin beta chain
(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 | n/a | 1.13E+4 | n/a | n/a | n/a | n/a | n/a |
University of Tennessee Health Science Center
Curated by ChEMBL
| Assay Description Binding affinity to porcine brain tubulin polymerization by surface plasmon analysis analysis |
J Med Chem 63: 827-846 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01815 BindingDB Entry DOI: 10.7270/Q280560G |
More data for this Ligand-Target Pair | 3D Structure (crystal) |