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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Similar to alpha-tubulin isoform 1' and Ligand = 'BDBM50060957'   
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)
BDBM50060957
PNG
(2-Hydroxyestradol 2-methyl ether | 2-methoxy-17bet...)
Show SMILES COc1cc2[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3CCc2cc1O |r|
Show InChI InChI=1S/C19H26O3/c1-19-8-7-12-13(15(19)5-6-18(19)21)4-3-11-9-16(20)17(22-2)10-14(11)12/h9-10,12-13,15,18,20-21H,3-8H2,1-2H3/t12-,13+,15-,18-,19-/m0/s1
PDB

UniProtKB/TrEMBL

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MCE
KEGG
MMDB
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PC sid
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Article
PubMed
n/an/a 3.10E+3n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Evaluated for inhibition of tubulin polymerization.


J Med Chem 40: 2323-34 (1997)


Article DOI: 10.1021/jm9700833
BindingDB Entry DOI: 10.7270/Q2VQ35CR
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50060957
PNG
(2-Hydroxyestradol 2-methyl ether | 2-methoxy-17bet...)
Show SMILES COc1cc2[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3CCc2cc1O |r|
Show InChI InChI=1S/C19H26O3/c1-19-8-7-12-13(15(19)5-6-18(19)21)4-3-11-9-16(20)17(22-2)10-14(11)12/h9-10,12-13,15,18,20-21H,3-8H2,1-2H3/t12-,13+,15-,18-,19-/m0/s1
PDB

UniProtKB/TrEMBL

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MCE
KEGG
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PC sid
PDB
UniChem

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Article
PubMed
n/an/a 4.70E+3n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization measured at 12 uM tubulin concentration.


J Med Chem 45: 4748-54 (2002)


Article DOI: 10.1021/jm020218r
BindingDB Entry DOI: 10.7270/Q29Z97NW
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50060957
PNG
(2-Hydroxyestradol 2-methyl ether | 2-methoxy-17bet...)
Show SMILES COc1cc2[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3CCc2cc1O |r|
Show InChI InChI=1S/C19H26O3/c1-19-8-7-12-13(15(19)5-6-18(19)21)4-3-11-9-16(20)17(22-2)10-14(11)12/h9-10,12-13,15,18,20-21H,3-8H2,1-2H3/t12-,13+,15-,18-,19-/m0/s1
PDB

UniProtKB/TrEMBL

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CHEMBL
MCE
KEGG
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PC cid
PC sid
PDB
UniChem

Patents


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Article
PubMed
n/an/a 1.20E+4n/an/an/an/an/an/a



Universit£t Regensburg

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization using isolated calf brain at 26 degrees C


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)
BDBM50060957
PNG
(2-Hydroxyestradol 2-methyl ether | 2-methoxy-17bet...)
Show SMILES COc1cc2[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3CCc2cc1O |r|
Show InChI InChI=1S/C19H26O3/c1-19-8-7-12-13(15(19)5-6-18(19)21)4-3-11-9-16(20)17(22-2)10-14(11)12/h9-10,12-13,15,18,20-21H,3-8H2,1-2H3/t12-,13+,15-,18-,19-/m0/s1
PDB

UniProtKB/TrEMBL

GoogleScholar
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CHEMBL
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

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