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Compile Data Set for Download or QSAR

Found 11 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50036217   
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-2B chain


(Bos taurus)
BDBM50035218
PNG
(CHEMBL61 | PODOFILOX | Podophyllinic acid lactone ...)
Show SMILES COc1cc(cc(OC)c1OC)[C@H]1[C@@H]2[C@H](COC2=O)[C@@H](O)c2cc3OCOc3cc12 |r|
Show InChI InChI=1S/C22H22O8/c1-25-16-4-10(5-17(26-2)21(16)27-3)18-11-6-14-15(30-9-29-14)7-12(11)20(23)13-8-28-22(24)19(13)18/h4-7,13,18-20,23H,8-9H2,1-3H3/t13-,18+,19-,20-/m0/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



Institute of Pharmaceutical Chemistry

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization


J Med Chem 36: 1146-56 (1993)


BindingDB Entry DOI: 10.7270/Q2BV7H8S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tubulin beta-2B chain


(Bos taurus)
BDBM50041130
PNG
(6-Methoxy-2-phenyl-1H-quinolin-4-one | CHEMBL14120...)
Show SMILES COc1ccc2nc(cc(O)c2c1)-c1ccccc1
Show InChI InChI=1S/C16H13NO2/c1-19-12-7-8-14-13(9-12)16(18)10-15(17-14)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)
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n/an/a 2.70E+3n/an/an/an/an/an/a



Institute of Pharmaceutical Chemistry

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization


J Med Chem 36: 1146-56 (1993)


BindingDB Entry DOI: 10.7270/Q2BV7H8S
More data for this
Ligand-Target Pair
Tubulin beta-2B chain


(Bos taurus)
BDBM50044966
PNG
(6-Chloro-2-phenyl-1H-quinolin-4-one | CHEMBL15845)
Show SMILES Oc1cc(nc2ccc(Cl)cc12)-c1ccccc1
Show InChI InChI=1S/C15H10ClNO/c16-11-6-7-13-12(8-11)15(18)9-14(17-13)10-4-2-1-3-5-10/h1-9H,(H,17,18)
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n/an/a 3.20E+3n/an/an/an/an/an/a



Institute of Pharmaceutical Chemistry

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization


J Med Chem 36: 1146-56 (1993)


BindingDB Entry DOI: 10.7270/Q2BV7H8S
More data for this
Ligand-Target Pair
Tubulin beta-2B chain


(Bos taurus)
BDBM50044963
PNG
(6-Fluoro-2-phenyl-1H-quinolin-4-one | CHEMBL16098)
Show SMILES Oc1cc(nc2ccc(F)cc12)-c1ccccc1
Show InChI InChI=1S/C15H10FNO/c16-11-6-7-13-12(8-11)15(18)9-14(17-13)10-4-2-1-3-5-10/h1-9H,(H,17,18)
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n/an/a 3.30E+3n/an/an/an/an/an/a



Institute of Pharmaceutical Chemistry

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization


J Med Chem 36: 1146-56 (1993)


BindingDB Entry DOI: 10.7270/Q2BV7H8S
More data for this
Ligand-Target Pair
Tubulin beta-2B chain


(Bos taurus)
BDBM50044960
PNG
(7-Hydroxy-2-phenyl-1H-quinolin-4-one | CHEMBL15634)
Show SMILES Oc1ccc2c(O)cc(nc2c1)-c1ccccc1
Show InChI InChI=1S/C15H11NO2/c17-11-6-7-12-14(8-11)16-13(9-15(12)18)10-4-2-1-3-5-10/h1-9,17H,(H,16,18)
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n/an/a 3.40E+3n/an/an/an/an/an/a



Institute of Pharmaceutical Chemistry

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization


J Med Chem 36: 1146-56 (1993)


BindingDB Entry DOI: 10.7270/Q2BV7H8S
More data for this
Ligand-Target Pair
Tubulin beta-2B chain


(Bos taurus)
BDBM50044969
PNG
(7-Fluoro-2-phenyl-1H-quinolin-4-one | CHEMBL279539)
Show SMILES Oc1cc(nc2cc(F)ccc12)-c1ccccc1
Show InChI InChI=1S/C15H10FNO/c16-11-6-7-12-14(8-11)17-13(9-15(12)18)10-4-2-1-3-5-10/h1-9H,(H,17,18)
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n/an/a 3.70E+3n/an/an/an/an/an/a



Institute of Pharmaceutical Chemistry

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization


J Med Chem 36: 1146-56 (1993)


BindingDB Entry DOI: 10.7270/Q2BV7H8S
More data for this
Ligand-Target Pair
Tubulin beta-2B chain


(Bos taurus)
BDBM50044962
PNG
(7-Methoxy-2-phenyl-1H-quinolin-4-one | CHEMBL15831)
Show SMILES COc1ccc2c(O)cc(nc2c1)-c1ccccc1
Show InChI InChI=1S/C16H13NO2/c1-19-12-7-8-13-15(9-12)17-14(10-16(13)18)11-5-3-2-4-6-11/h2-10H,1H3,(H,17,18)
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n/an/a 4.80E+3n/an/an/an/an/an/a



Institute of Pharmaceutical Chemistry

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization


J Med Chem 36: 1146-56 (1993)


BindingDB Entry DOI: 10.7270/Q2BV7H8S
More data for this
Ligand-Target Pair
Tubulin beta-2B chain


(Bos taurus)
BDBM50044968
PNG
(8-Fluoro-2-phenyl-1H-quinolin-4-one | CHEMBL15450)
Show SMILES Oc1cc(nc2c(F)cccc12)-c1ccccc1
Show InChI InChI=1S/C15H10FNO/c16-12-8-4-7-11-14(18)9-13(17-15(11)12)10-5-2-1-3-6-10/h1-9H,(H,17,18)
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n/an/a 1.10E+4n/an/an/an/an/an/a



Institute of Pharmaceutical Chemistry

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization


J Med Chem 36: 1146-56 (1993)


BindingDB Entry DOI: 10.7270/Q2BV7H8S
More data for this
Ligand-Target Pair
Tubulin beta-2B chain


(Bos taurus)
BDBM50044961
PNG
(6-Hydroxy-2-phenyl-1H-quinolin-4-one | CHEMBL27653...)
Show SMILES Oc1ccc2nc(cc(O)c2c1)-c1ccccc1
Show InChI InChI=1S/C15H11NO2/c17-11-6-7-13-12(8-11)15(18)9-14(16-13)10-4-2-1-3-5-10/h1-9,17H,(H,16,18)
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n/an/a 1.60E+4n/an/an/an/an/an/a



Institute of Pharmaceutical Chemistry

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization


J Med Chem 36: 1146-56 (1993)


BindingDB Entry DOI: 10.7270/Q2BV7H8S
More data for this
Ligand-Target Pair
Tubulin beta-2B chain


(Bos taurus)
BDBM50044965
PNG
(1-Methyl-2-phenyl-1H-quinolin-4-one | CHEMBL277048)
Show SMILES Cn1c(cc(=O)c2ccccc12)-c1ccccc1
Show InChI InChI=1S/C16H13NO/c1-17-14-10-6-5-9-13(14)16(18)11-15(17)12-7-3-2-4-8-12/h2-11H,1H3
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n/an/a>4.00E+4n/an/an/an/an/an/a



Institute of Pharmaceutical Chemistry

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization


J Med Chem 36: 1146-56 (1993)


BindingDB Entry DOI: 10.7270/Q2BV7H8S
More data for this
Ligand-Target Pair
Tubulin beta-2B chain


(Bos taurus)
BDBM50044970
PNG
(8-Methoxy-2-phenyl-1H-quinolin-4-one | CHEMBL15706)
Show SMILES COc1cccc2c(O)cc(nc12)-c1ccccc1
Show InChI InChI=1S/C16H13NO2/c1-19-15-9-5-8-12-14(18)10-13(17-16(12)15)11-6-3-2-4-7-11/h2-10H,1H3,(H,17,18)
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n/an/a>4.00E+4n/an/an/an/an/an/a



Institute of Pharmaceutical Chemistry

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization


J Med Chem 36: 1146-56 (1993)


BindingDB Entry DOI: 10.7270/Q2BV7H8S
More data for this
Ligand-Target Pair