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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Similar to alpha-tubulin isoform 1' and Ligand = 'BDBM50147363'   
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)
BDBM50147363
PNG
(CHEMBL572284)
Show SMILES COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)[C@@H](N)CO |r|
Show InChI InChI=1S/C21H26N2O6/c1-26-17-8-7-13(9-16(17)23-21(25)15(22)12-24)5-6-14-10-18(27-2)20(29-4)19(11-14)28-3/h5-11,15,24H,12,22H2,1-4H3,(H,23,25)/b6-5-/t15-/m0/s1
PDB

UniProtKB/TrEMBL

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CHEMBL
MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.30E+4n/an/an/an/an/an/a



Baylor University

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin polymerization preincubated for 15 mins by spectrophotometric analysis


Bioorg Med Chem 24: 938-56 (2016)


Article DOI: 10.1016/j.bmc.2016.01.007
BindingDB Entry DOI: 10.7270/Q24Q7WVQ
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50147363
PNG
(CHEMBL572284)
Show SMILES COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)[C@@H](N)CO |r|
Show InChI InChI=1S/C21H26N2O6/c1-26-17-8-7-13(9-16(17)23-21(25)15(22)12-24)5-6-14-10-18(27-2)20(29-4)19(11-14)28-3/h5-11,15,24H,12,22H2,1-4H3,(H,23,25)/b6-5-/t15-/m0/s1
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.40E+4n/an/an/an/an/an/a



Baylor University

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin polymerization preincubated for 15 mins by spectrophotometric analysis


Bioorg Med Chem 24: 938-56 (2016)


Article DOI: 10.1016/j.bmc.2016.01.007
BindingDB Entry DOI: 10.7270/Q24Q7WVQ
More data for this
Ligand-Target Pair