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Compile Data Set for Download or QSAR

Found 7 hits with Last Name = 'chinen' and Initial = 't'   
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
Tubulin beta chain


(Sus scrofa)
BDBM50030766
PNG
(CHEMBL3342339)
Show SMILES O=C(c1ccccc1)c1cccc(\C=c2/[nH]c(=O)\c(=C\c3ccccn3)[nH]c2=O)c1
Show InChI InChI=1S/C24H17N3O3/c28-22(17-8-2-1-3-9-17)18-10-6-7-16(13-18)14-20-23(29)27-21(24(30)26-20)15-19-11-4-5-12-25-19/h1-15H,(H,26,30)(H,27,29)/b20-14-,21-15-
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n/an/a 1.20E+3n/an/an/an/an/an/a



Tokyo University of Pharmacy and Life Sciences

Curated by ChEMBL


Assay Description
Inhibition of porcine tubulin polymerization by spectrophotometry


ACS Med Chem Lett 5: 1094-8 (2014)


Article DOI: 10.1021/ml5001883
BindingDB Entry DOI: 10.7270/Q2R49SCP
More data for this
Ligand-Target Pair
Tubulin beta chain


(Sus scrofa)
BDBM50030765
PNG
(NPI-2358 | Plinabulin)
Show SMILES CC(C)(C)c1[nH]cnc1\C=c1/[nH]c(=O)\c(=C\c2ccccc2)[nH]c1=O
Show InChI InChI=1S/C19H20N4O2/c1-19(2,3)16-13(20-11-21-16)10-15-18(25)22-14(17(24)23-15)9-12-7-5-4-6-8-12/h4-11H,1-3H3,(H,20,21)(H,22,25)(H,23,24)/b14-9-,15-10-
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n/an/a 1.80E+3n/an/an/an/an/an/a



Tokyo University of Pharmacy and Life Sciences

Curated by ChEMBL


Assay Description
Inhibition of porcine tubulin polymerization by spectrophotometry


ACS Med Chem Lett 5: 1094-8 (2014)


Article DOI: 10.1021/ml5001883
BindingDB Entry DOI: 10.7270/Q2R49SCP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tubulin beta chain


(Sus scrofa)
BDBM50030766
PNG
(CHEMBL3342339)
Show SMILES O=C(c1ccccc1)c1cccc(\C=c2/[nH]c(=O)\c(=C\c3ccccn3)[nH]c2=O)c1
Show InChI InChI=1S/C24H17N3O3/c28-22(17-8-2-1-3-9-17)18-10-6-7-16(13-18)14-20-23(29)27-21(24(30)26-20)15-19-11-4-5-12-25-19/h1-15H,(H,26,30)(H,27,29)/b20-14-,21-15-
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n/an/an/a 1.30E+3n/an/an/an/an/a



Tokyo University of Pharmacy and Life Sciences

Curated by ChEMBL


Assay Description
Binding affinity to porcine tubulin incubated for 1 hr by spectrofluorometry


ACS Med Chem Lett 5: 1094-8 (2014)


Article DOI: 10.1021/ml5001883
BindingDB Entry DOI: 10.7270/Q2R49SCP
More data for this
Ligand-Target Pair
Tubulin beta chain


(Sus scrofa)
BDBM50485036
PNG
(CHEMBL2024544)
Show SMILES CC(C)(C)c1[nH]cnc1\C=c1/[nH]c(=O)\c(=C\c2cc(F)ccc2F)[nH]c1=O
Show InChI InChI=1S/C19H18F2N4O2/c1-19(2,3)16-13(22-9-23-16)8-15-18(27)24-14(17(26)25-15)7-10-6-11(20)4-5-12(10)21/h4-9H,1-3H3,(H,22,23)(H,24,27)(H,25,26)/b14-7-,15-8-
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n/an/an/a 200n/an/an/an/an/a



Tokyo University of Pharmacy and Life Sciences

Curated by ChEMBL


Assay Description
Binding affinity to porcine tubulin after 1 hr by spectrofluorometric analysis


J Med Chem 55: 1056-71 (2012)


Article DOI: 10.1021/jm2009088
BindingDB Entry DOI: 10.7270/Q20R9S8Q
More data for this
Ligand-Target Pair
Tubulin beta chain


(Sus scrofa)
BDBM50030765
PNG
(NPI-2358 | Plinabulin)
Show SMILES CC(C)(C)c1[nH]cnc1\C=c1/[nH]c(=O)\c(=C\c2ccccc2)[nH]c1=O
Show InChI InChI=1S/C19H20N4O2/c1-19(2,3)16-13(20-11-21-16)10-15-18(25)22-14(17(24)23-15)9-12-7-5-4-6-8-12/h4-11H,1-3H3,(H,20,21)(H,22,25)(H,23,24)/b14-9-,15-10-
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n/an/an/a 1.06E+3n/an/an/an/an/a



Tokyo University of Pharmacy and Life Sciences

Curated by ChEMBL


Assay Description
Binding affinity to porcine tubulin after 1 hr by spectrofluorometric analysis


J Med Chem 55: 1056-71 (2012)


Article DOI: 10.1021/jm2009088
BindingDB Entry DOI: 10.7270/Q20R9S8Q
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tubulin beta chain


(Sus scrofa)
BDBM50485035
PNG
(CHEMBL2024561)
Show SMILES CC(C)(C)c1[nH]cnc1\C=c1/[nH]c(=O)\c(=C\c2cccc(c2)C(=O)c2ccccc2)[nH]c1=O
Show InChI InChI=1S/C26H24N4O3/c1-26(2,3)23-19(27-15-28-23)14-21-25(33)29-20(24(32)30-21)13-16-8-7-11-18(12-16)22(31)17-9-5-4-6-10-17/h4-15H,1-3H3,(H,27,28)(H,29,33)(H,30,32)/b20-13-,21-14-
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n/an/an/a 620n/an/an/an/an/a



Tokyo University of Pharmacy and Life Sciences

Curated by ChEMBL


Assay Description
Binding affinity to porcine tubulin after 1 hr by spectrofluorometric analysis


J Med Chem 55: 1056-71 (2012)


Article DOI: 10.1021/jm2009088
BindingDB Entry DOI: 10.7270/Q20R9S8Q
More data for this
Ligand-Target Pair
Tubulin alpha-1A/beta chain


(Sus scrofa (Pig))
BDBM50030765
PNG
(NPI-2358 | Plinabulin)
Show SMILES CC(C)(C)c1[nH]cnc1\C=c1/[nH]c(=O)\c(=C\c2ccccc2)[nH]c1=O
Show InChI InChI=1S/C19H20N4O2/c1-19(2,3)16-13(20-11-21-16)10-15-18(25)22-14(17(24)23-15)9-12-7-5-4-6-8-12/h4-11H,1-3H3,(H,20,21)(H,22,25)(H,23,24)/b14-9-,15-10-
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n/an/an/a 1.00E+3n/an/an/an/an/a



Tokyo University of Pharmacy and Life Sciences

Curated by ChEMBL


Assay Description
Binding affinity to porcine tubulin incubated for 1 hr by spectrofluorometry


ACS Med Chem Lett 5: 1094-8 (2014)


Article DOI: 10.1021/ml5001883
BindingDB Entry DOI: 10.7270/Q2R49SCP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)