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Compile Data Set for Download or QSAR

Found 4 hits with Last Name = 'kalivendi' and Initial = 'sv'   
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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Article
PubMed
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
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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
Phospholipase A2


(Apis mellifera)
BDBM50443264
PNG
(CHEMBL3087058)
Show SMILES C\C(CC\C=C(\C)C=C)=C/c1cc(co1)C(O)=O
Show InChI InChI=1S/C15H18O3/c1-4-11(2)6-5-7-12(3)8-14-9-13(10-18-14)15(16)17/h4,6,8-10H,1,5,7H2,2-3H3,(H,16,17)/b11-6-,12-8+
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n/an/a 5.00E+5n/an/an/an/an/an/a



CSIR-IICT

Curated by ChEMBL


Assay Description
Inhibition of bee venom phospholipase A2


Bioorg Med Chem Lett 23: 6234-8 (2013)


Article DOI: 10.1016/j.bmcl.2013.09.093
BindingDB Entry DOI: 10.7270/Q2V69M1R
More data for this
Ligand-Target Pair