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PubMed code 25499929

Compile data set for download or QSAR
Found 3 hits of Enzyme Inhibition Constant Data   
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/Tubulin beta-2B chain


(Bos taurus)		BDBM50014846
PNG
((S)-N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-...)
Show SMILES COc1cc2CC[C@H](NC(C)=O)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC |r|
Show InChI InChI=1S/C22H25NO6/c1-12(24)23-16-8-6-13-10-19(27-3)21(28-4)22(29-5)20(13)14-7-9-18(26-2)17(25)11-15(14)16/h7,9-11,16H,6,8H2,1-5H3,(H,23,24)/t16-/m0/s1
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n/an/a 1.70E+3n/an/an/an/an/an/a



CSIR-Indian Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin polymerization measured for 1 hr by fluorescence assay

Eur J Med Chem 90: 603-19 (2015)


Article DOI: 10.1016/j.ejmech.2014.11.063
BindingDB Entry DOI: 10.7270/Q2ZG6TXF
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Similar to alpha-tubulin isoform 1/Tubulin beta-2B chain


(Bos taurus)		BDBM50062530
PNG
(CHEMBL3397584)
Show SMILES COc1cc(cc(OC)c1OC)C1=NOC(COCc2cn(Cc3cc(cnc3Cl)-c3ccccc3)nn2)C1 |t:13|
Show InChI InChI=1S/C28H28ClN5O5/c1-35-25-10-19(11-26(36-2)27(25)37-3)24-12-23(39-32-24)17-38-16-22-15-34(33-31-22)14-21-9-20(13-30-28(21)29)18-7-5-4-6-8-18/h4-11,13,15,23H,12,14,16-17H2,1-3H3
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n/an/a 6.80E+3n/an/an/an/an/an/a



CSIR-Indian Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin polymerization measured for 1 hr by fluorescence assay

Eur J Med Chem 90: 603-19 (2015)


Article DOI: 10.1016/j.ejmech.2014.11.063
BindingDB Entry DOI: 10.7270/Q2ZG6TXF
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1/Tubulin beta-2B chain


(Bos taurus)		BDBM50062531
PNG
(CHEMBL3397585)
Show SMILES COc1cc(cc(OC)c1OC)C1=NOC(COCc2cn(Cc3cc(cnc3Cl)-c3ccc(C)cc3)nn2)C1 |t:13|
Show InChI InChI=1S/C29H30ClN5O5/c1-18-5-7-19(8-6-18)21-9-22(29(30)31-13-21)14-35-15-23(32-34-35)16-39-17-24-12-25(33-40-24)20-10-26(36-2)28(38-4)27(11-20)37-3/h5-11,13,15,24H,12,14,16-17H2,1-4H3
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n/an/a 8.10E+3n/an/an/an/an/an/a



CSIR-Indian Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin polymerization measured for 1 hr by fluorescence assay

Eur J Med Chem 90: 603-19 (2015)


Article DOI: 10.1016/j.ejmech.2014.11.063
BindingDB Entry DOI: 10.7270/Q2ZG6TXF
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%