Found 6 hits Enz. Inhib. hit(s) with Target = 'Tubulin beta-2B 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-2B chain
(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
B.MOAD DrugBank GoogleScholar AffyNet
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CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB PubMed
| 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 beta-2B chain
(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
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| 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
(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
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| 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-2B chain
(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
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| 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) |
Tubulin beta-2B chain
(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
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| 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-2B chain
(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
B.MOAD DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| 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) |