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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 = 'BDBM50471429'   
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)
BDBM50471429
PNG
(CHEMBL120152)
Show SMILES CCCCC1Cc2cc(O)ccc2-c2c(C=O)c3ccc(O)cc3n12
Show InChI InChI=1S/C21H21NO3/c1-2-3-4-14-9-13-10-15(24)5-7-17(13)21-19(12-23)18-8-6-16(25)11-20(18)22(14)21/h5-8,10-12,14,24-25H,2-4,9H2,1H3
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.10E+3n/an/an/an/an/an/a



Universit£t Regensburg

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization using isolated calf brain


J Med Chem 40: 3524-33 (1997)


Article DOI: 10.1021/jm970177c
BindingDB Entry DOI: 10.7270/Q29S1TRH
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50471429
PNG
(CHEMBL120152)
Show SMILES CCCCC1Cc2cc(O)ccc2-c2c(C=O)c3ccc(O)cc3n12
Show InChI InChI=1S/C21H21NO3/c1-2-3-4-14-9-13-10-15(24)5-7-17(13)21-19(12-23)18-8-6-16(25)11-20(18)22(14)21/h5-8,10-12,14,24-25H,2-4,9H2,1H3
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.90E+3n/an/an/an/an/an/a



Universit£t Regensburg

Curated by ChEMBL


Assay Description
Inhibition of Tubulin polymerization by a 40 uM solution of compound; compound showed inhibition >50% at 40 uM


J Med Chem 41: 4965-72 (1998)


Article DOI: 10.1021/jm980228l
BindingDB Entry DOI: 10.7270/Q2NV9N0D
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50471429
PNG
(CHEMBL120152)
Show SMILES CCCCC1Cc2cc(O)ccc2-c2c(C=O)c3ccc(O)cc3n12
Show InChI InChI=1S/C21H21NO3/c1-2-3-4-14-9-13-10-15(24)5-7-17(13)21-19(12-23)18-8-6-16(25)11-20(18)22(14)21/h5-8,10-12,14,24-25H,2-4,9H2,1H3
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>6.00E+4n/an/an/an/an/an/a



Universit£t Regensburg

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization using isolated calf brain


J Med Chem 40: 3524-33 (1997)


Article DOI: 10.1021/jm970177c
BindingDB Entry DOI: 10.7270/Q29S1TRH
More data for this
Ligand-Target Pair