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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 = 'BDBM50217333'   
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)
BDBM50217333
PNG
(CHEMBL336290)
Show SMILES COc1cc2CCC(c2c(OC)c1OC)c1cccc(OC)c(=O)c1
Show InChI InChI=1S/C20H22O5/c1-22-16-7-5-6-12(10-15(16)21)14-9-8-13-11-17(23-2)19(24-3)20(25-4)18(13)14/h5-7,10-11,14H,8-9H2,1-4H3
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.90E+4n/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization activity using homogenous bovine brain tubulin at 45 degree C


Bioorg Med Chem Lett 9: 407-12 (1999)


BindingDB Entry DOI: 10.7270/Q2BG2R5N
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50217333
PNG
(CHEMBL336290)
Show SMILES COc1cc2CCC(c2c(OC)c1OC)c1cccc(OC)c(=O)c1
Show InChI InChI=1S/C20H22O5/c1-22-16-7-5-6-12(10-15(16)21)14-9-8-13-11-17(23-2)19(24-3)20(25-4)18(13)14/h5-7,10-11,14H,8-9H2,1-4H3
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.90E+4n/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization activity using homogenous bovine brain tubulin at 37 degree C


Bioorg Med Chem Lett 9: 407-12 (1999)


BindingDB Entry DOI: 10.7270/Q2BG2R5N
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50217333
PNG
(CHEMBL336290)
Show SMILES COc1cc2CCC(c2c(OC)c1OC)c1cccc(OC)c(=O)c1
Show InChI InChI=1S/C20H22O5/c1-22-16-7-5-6-12(10-15(16)21)14-9-8-13-11-17(23-2)19(24-3)20(25-4)18(13)14/h5-7,10-11,14H,8-9H2,1-4H3
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.08E+5n/an/an/an/an/an/a



University of Virginia

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization activity using homogenous bovine brain tubulin at 30 degree C


Bioorg Med Chem Lett 9: 407-12 (1999)


BindingDB Entry DOI: 10.7270/Q2BG2R5N
More data for this
Ligand-Target Pair