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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Similar to alpha-tubulin isoform 1' and Ligand = 'BDBM50055041'   
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
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50055041
PNG
(CHEMBL3323240)
Show SMILES [H][C@@]1(OC(=O)c2c1ccc(OC)c2OC)[C@]1([H])N(C)CCc2c(Br)c3OCOc3c(OC)c12 |r|
Show InChI InChI=1S/C22H22BrNO7/c1-24-8-7-10-13(19(28-4)21-20(15(10)23)29-9-30-21)16(24)17-11-5-6-12(26-2)18(27-3)14(11)22(25)31-17/h5-6,16-17H,7-9H2,1-4H3/t16-,17+/m1/s1
PDB

UniProtKB/TrEMBL

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PC sid
UniChem

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Article
PubMed
n/an/a>4.00E+5n/an/an/an/an/an/a



University of Padova

Curated by ChEMBL


Assay Description
Displacement of [3H]colchicine from bovine brain tubulin assessed as rate of assembly after 10 mins by liquid scintillation counting


Eur J Med Chem 84: 476-90 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.050
BindingDB Entry DOI: 10.7270/Q2VH5QGD
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50055041
PNG
(CHEMBL3323240)
Show SMILES [H][C@@]1(OC(=O)c2c1ccc(OC)c2OC)[C@]1([H])N(C)CCc2c(Br)c3OCOc3c(OC)c12 |r|
Show InChI InChI=1S/C22H22BrNO7/c1-24-8-7-10-13(19(28-4)21-20(15(10)23)29-9-30-21)16(24)17-11-5-6-12(26-2)18(27-3)14(11)22(25)31-17/h5-6,16-17H,7-9H2,1-4H3/t16-,17+/m1/s1
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>4.00E+5n/an/an/an/an/an/a



University of Padova

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin assessed as rate of assembly preincubated for 15 mins by turbidimetry


Eur J Med Chem 84: 476-90 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.050
BindingDB Entry DOI: 10.7270/Q2VH5QGD
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50055041
PNG
(CHEMBL3323240)
Show SMILES [H][C@@]1(OC(=O)c2c1ccc(OC)c2OC)[C@]1([H])N(C)CCc2c(Br)c3OCOc3c(OC)c12 |r|
Show InChI InChI=1S/C22H22BrNO7/c1-24-8-7-10-13(19(28-4)21-20(15(10)23)29-9-30-21)16(24)17-11-5-6-12(26-2)18(27-3)14(11)22(25)31-17/h5-6,16-17H,7-9H2,1-4H3/t16-,17+/m1/s1
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>4.00E+5n/an/an/an/an/an/a



University of Padova

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin assessed as extent of assembly preincubated for 15 mins by turbidimetry


Eur J Med Chem 84: 476-90 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.050
BindingDB Entry DOI: 10.7270/Q2VH5QGD
More data for this
Ligand-Target Pair