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Compile Data Set for Download or QSAR

Found 61 hits with Last Name = 'lednicer' and Initial = 'd'   
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
Delta-type/Kappa-type/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50497032
PNG
(CHEMBL3249922)
Show SMILES Cl.CN(C)[C@]1(CC[C@@](O)(CCc2ccccc2)CC1)c1ccc(Br)cc1 |r,wU:7.6,wD:4.2,(7.72,-11.54,;4.33,-7.03,;5.82,-7.44,;6.21,-8.93,;6.92,-6.36,;7.69,-7.68,;9.23,-7.68,;10,-6.36,;11.08,-5.26,;11.08,-7.44,;10.68,-8.93,;11.77,-10.02,;11.37,-11.51,;12.46,-12.59,;13.95,-12.2,;14.34,-10.7,;13.25,-9.62,;9.23,-5.02,;7.69,-5.02,;5.82,-5.26,;6.23,-3.75,;5.13,-2.65,;3.62,-3.06,;2.53,-1.97,;3.22,-4.57,;4.32,-5.66,)|
Show InChI InChI=1S/C22H28BrNO.ClH/c1-24(2)22(19-8-10-20(23)11-9-19)16-14-21(25,15-17-22)13-12-18-6-4-3-5-7-18;/h3-11,25H,12-17H2,1-2H3;1H/t21-,22-;
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n/an/a 0.800n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]naloxone from opioid receptor (unknown origin) by liquid scintillation counting


J Med Chem 22: 1157-8 (1979)


Article DOI: 10.1021/jm00196a001
BindingDB Entry DOI: 10.7270/Q2P2723B
More data for this
Ligand-Target Pair
Delta-type/Kappa-type/Mu-type opioid receptor


(Homo sapiens (Human))
BDBM50000092
PNG
((-)-(etorphine) | (-)-morphine | (1S,5R,13R,14S)-1...)
Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O |r,c:16,TLB:13:12:8.9.10:3.2.1|
Show InChI InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1
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n/an/a 24n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]naloxone from opioid receptor (unknown origin) by liquid scintillation counting


J Med Chem 22: 1157-8 (1979)


Article DOI: 10.1021/jm00196a001
BindingDB Entry DOI: 10.7270/Q2P2723B
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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 460n/an/an/an/an/an/a



School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization


J Med Chem 37: 1126-35 (1994)


BindingDB Entry DOI: 10.7270/Q2ZC81XN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tubulin beta-2B chain


(Bos taurus)
BDBM50005480
PNG
((-)-combretastatin | (Z)-3'-hydroxy-3,4,4',5-tetra...)
Show SMILES COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc1O
Show InChI InChI=1S/C18H20O5/c1-20-15-8-7-12(9-14(15)19)5-6-13-10-16(21-2)18(23-4)17(11-13)22-3/h5-11,19H,1-4H3/b6-5-
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n/an/a 530n/an/an/an/an/an/a



School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization


J Med Chem 37: 1126-35 (1994)


BindingDB Entry DOI: 10.7270/Q2ZC81XN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tubulin beta-2B chain


(Bos taurus)
BDBM50037444
PNG
(6-(3-Methoxy-phenyl)-5H-[1,3]dioxolo[4,5-g]quinoli...)
Show SMILES COc1cccc(c1)-c1cc(O)c2cc3OCOc3cc2n1
Show InChI InChI=1S/C17H13NO4/c1-20-11-4-2-3-10(5-11)13-7-15(19)12-6-16-17(22-9-21-16)8-14(12)18-13/h2-8H,9H2,1H3,(H,18,19)
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n/an/a 570n/an/an/an/an/an/a



School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization


J Med Chem 37: 1126-35 (1994)


BindingDB Entry DOI: 10.7270/Q2ZC81XN
More data for this
Ligand-Target Pair
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 610n/an/an/an/an/an/a



School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization


J Med Chem 37: 1126-35 (1994)


BindingDB Entry DOI: 10.7270/Q2ZC81XN
More data for this
Ligand-Target Pair
Tubulin beta-2B chain


(Bos taurus)
BDBM50041123
PNG
(6-(3,5-Dimethoxy-phenyl)-5H-[1,3]dioxolo[4,5-g]qui...)
Show SMILES COc1cc(OC)cc(c1)-c1cc(O)c2cc3OCOc3cc2n1
Show InChI InChI=1S/C18H15NO5/c1-21-11-3-10(4-12(5-11)22-2)14-7-16(20)13-6-17-18(24-9-23-17)8-15(13)19-14/h3-8H,9H2,1-2H3,(H,19,20)
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n/an/a 620n/an/an/an/an/an/a



School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization


J Med Chem 37: 1126-35 (1994)


BindingDB Entry DOI: 10.7270/Q2ZC81XN
More data for this
Ligand-Target Pair
Tubulin beta-2B chain


(Bos taurus)
BDBM50005478
PNG
(2-Methoxy-5-[2-(3,4,5-trimethoxy-phenyl)-ethyl]-ph...)
Show SMILES COc1ccc(CCc2cc(OC)c(OC)c(OC)c2)cc1O
Show InChI InChI=1S/C18H22O5/c1-20-15-8-7-12(9-14(15)19)5-6-13-10-16(21-2)18(23-4)17(11-13)22-3/h7-11,19H,5-6H2,1-4H3
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n/an/a 630n/an/an/an/an/an/a



School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization


J Med Chem 37: 1126-35 (1994)


BindingDB Entry DOI: 10.7270/Q2ZC81XN
More data for this
Ligand-Target Pair
Tubulin beta-2B chain


(Bos taurus)
BDBM50037464
PNG
(6-Phenyl-5H-[1,3]dioxolo[4,5-g]quinolin-8-one | CH...)
Show SMILES Oc1cc(nc2cc3OCOc3cc12)-c1ccccc1
Show InChI InChI=1S/C16H11NO3/c18-14-7-12(10-4-2-1-3-5-10)17-13-8-16-15(6-11(13)14)19-9-20-16/h1-8H,9H2,(H,17,18)
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n/an/a 630n/an/an/an/an/an/a



School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization


J Med Chem 37: 1126-35 (1994)


BindingDB Entry DOI: 10.7270/Q2ZC81XN
More data for this
Ligand-Target Pair
Tubulin beta-2B chain


(Bos taurus)
BDBM50037452
PNG
(6-(3-Dimethylamino-phenyl)-5H-[1,3]dioxolo[4,5-g]q...)
Show SMILES CN(C)c1cccc(c1)-c1cc(O)c2cc3OCOc3cc2n1
Show InChI InChI=1S/C18H16N2O3/c1-20(2)12-5-3-4-11(6-12)14-8-16(21)13-7-17-18(23-10-22-17)9-15(13)19-14/h3-9H,10H2,1-2H3,(H,19,21)
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n/an/a 700n/an/an/an/an/an/a



School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization


J Med Chem 37: 1126-35 (1994)


BindingDB Entry DOI: 10.7270/Q2ZC81XN
More data for this
Ligand-Target Pair
Tubulin beta-2B chain


(Bos taurus)
BDBM50041100
PNG
(6-Methoxy-2-(3-methoxy-phenyl)-1H-quinolin-4-one |...)
Show SMILES COc1cccc(c1)-c1cc(O)c2cc(OC)ccc2n1
Show InChI InChI=1S/C17H15NO3/c1-20-12-5-3-4-11(8-12)16-10-17(19)14-9-13(21-2)6-7-15(14)18-16/h3-10H,1-2H3,(H,18,19)
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n/an/a 740n/an/an/an/an/an/a



School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization


J Med Chem 37: 1126-35 (1994)


BindingDB Entry DOI: 10.7270/Q2ZC81XN
More data for this
Ligand-Target Pair
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 800n/an/an/an/an/an/a



School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization


J Med Chem 37: 1126-35 (1994)


BindingDB Entry DOI: 10.7270/Q2ZC81XN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tubulin beta-2B chain


(Bos taurus)
BDBM50041121
PNG
(2-(3-Dimethylamino-phenyl)-6-methoxy-1H-quinolin-4...)
Show SMILES COc1ccc2nc(cc(O)c2c1)-c1cccc(c1)N(C)C
Show InChI InChI=1S/C18H18N2O2/c1-20(2)13-6-4-5-12(9-13)17-11-18(21)15-10-14(22-3)7-8-16(15)19-17/h4-11H,1-3H3,(H,19,21)
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n/an/a 840n/an/an/an/an/an/a



School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization


J Med Chem 37: 1126-35 (1994)


BindingDB Entry DOI: 10.7270/Q2ZC81XN
More data for this
Ligand-Target Pair
Tubulin beta-2B chain


(Bos taurus)
BDBM50041119
PNG
(2-(2-fluorophenyl)-6,7-methylenedioxyquinolin-4-on...)
Show SMILES Oc1cc(nc2cc3OCOc3cc12)-c1ccccc1F
Show InChI InChI=1S/C16H10FNO3/c17-11-4-2-1-3-9(11)12-6-14(19)10-5-15-16(21-8-20-15)7-13(10)18-12/h1-7H,8H2,(H,18,19)
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n/an/a 850n/an/an/an/an/an/a



School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization


J Med Chem 37: 1126-35 (1994)


BindingDB Entry DOI: 10.7270/Q2ZC81XN
More data for this
Ligand-Target Pair
Tubulin beta-2B chain


(Bos taurus)
BDBM50041106
PNG
(6-(2-Chloro-phenyl)-5H-[1,3]dioxolo[4,5-g]quinolin...)
Show SMILES Oc1cc(nc2cc3OCOc3cc12)-c1ccccc1Cl
Show InChI InChI=1S/C16H10ClNO3/c17-11-4-2-1-3-9(11)12-6-14(19)10-5-15-16(21-8-20-15)7-13(10)18-12/h1-7H,8H2,(H,18,19)
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n/an/a 890n/an/an/an/an/an/a



School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization


J Med Chem 37: 1126-35 (1994)


BindingDB Entry DOI: 10.7270/Q2ZC81XN
More data for this
Ligand-Target Pair
Tubulin beta-2B chain


(Bos taurus)
BDBM50041115
PNG
(6-p-Tolyl-5H-[1,3]dioxolo[4,5-g]quinolin-8-one | C...)
Show SMILES Cc1ccc(cc1)-c1cc(O)c2cc3OCOc3cc2n1
Show InChI InChI=1S/C17H13NO3/c1-10-2-4-11(5-3-10)13-7-15(19)12-6-16-17(21-9-20-16)8-14(12)18-13/h2-8H,9H2,1H3,(H,18,19)
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n/an/a 1.00E+3n/an/an/an/an/an/a



School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization


J Med Chem 37: 1126-35 (1994)


BindingDB Entry DOI: 10.7270/Q2ZC81XN
More data for this
Ligand-Target Pair
Tubulin beta-2B chain


(Bos taurus)
BDBM50041103
PNG
(6-Benzo[1,3]dioxol-5-yl-5H-[1,3]dioxolo[4,5-g]quin...)
Show SMILES Oc1cc(nc2cc3OCOc3cc12)-c1ccc2OCOc2c1
Show InChI InChI=1S/C17H11NO5/c19-13-5-11(9-1-2-14-15(3-9)21-7-20-14)18-12-6-17-16(4-10(12)13)22-8-23-17/h1-6H,7-8H2,(H,18,19)
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n/an/a 1.10E+3n/an/an/an/an/an/a



School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization


J Med Chem 37: 1126-35 (1994)


BindingDB Entry DOI: 10.7270/Q2ZC81XN
More data for this
Ligand-Target Pair
Tubulin beta-2B chain


(Bos taurus)
BDBM50041109
PNG
(6-(1H-Indol-3-yl)-5H-[1,3]dioxolo[4,5-g]quinolin-8...)
Show SMILES Oc1cc(nc2cc3OCOc3cc12)-c1c[nH]c2ccccc12
Show InChI InChI=1S/C18H12N2O3/c21-16-6-14(12-8-19-13-4-2-1-3-10(12)13)20-15-7-18-17(5-11(15)16)22-9-23-18/h1-8,19H,9H2,(H,20,21)
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n/an/a 1.30E+3n/an/an/an/an/an/a



School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization


J Med Chem 37: 1126-35 (1994)


BindingDB Entry DOI: 10.7270/Q2ZC81XN
More data for this
Ligand-Target Pair
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)
BDBM50041113
PNG
(2-(3-Methoxy-phenyl)-1H-quinolin-4-one | CHEMBL276...)
Show SMILES COc1cccc(c1)-c1cc(O)c2ccccc2n1
Show InChI InChI=1S/C16H13NO2/c1-19-12-6-4-5-11(9-12)15-10-16(18)13-7-2-3-8-14(13)17-15/h2-10H,1H3,(H,17,18)
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n/an/a 1.40E+3n/an/an/an/an/an/a



School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization


J Med Chem 37: 1126-35 (1994)


BindingDB Entry DOI: 10.7270/Q2ZC81XN
More data for this
Ligand-Target Pair
Tubulin beta-2B chain


(Bos taurus)
BDBM50041135
PNG
(2-(3-Dimethylamino-phenyl)-1H-quinolin-4-one | CHE...)
Show SMILES CN(C)c1cccc(c1)-c1cc(O)c2ccccc2n1
Show InChI InChI=1S/C17H16N2O/c1-19(2)13-7-5-6-12(10-13)16-11-17(20)14-8-3-4-9-15(14)18-16/h3-11H,1-2H3,(H,18,20)
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n/an/a 1.50E+3n/an/an/an/an/an/a



School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization


J Med Chem 37: 1126-35 (1994)


BindingDB Entry DOI: 10.7270/Q2ZC81XN
More data for this
Ligand-Target Pair
Tubulin beta-2B chain


(Bos taurus)
BDBM50041127
PNG
(6-Thiophen-2-yl-5H-[1,3]dioxolo[4,5-g]quinolin-8-o...)
Show SMILES Oc1cc(nc2cc3OCOc3cc12)-c1cccs1
Show InChI InChI=1S/C14H9NO3S/c16-11-5-10(14-2-1-3-19-14)15-9-6-13-12(4-8(9)11)17-7-18-13/h1-6H,7H2,(H,15,16)
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n/an/a 2.20E+3n/an/an/an/an/an/a



School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization


J Med Chem 37: 1126-35 (1994)


BindingDB Entry DOI: 10.7270/Q2ZC81XN
More data for this
Ligand-Target Pair
Tubulin beta-2B chain


(Bos taurus)
BDBM50041137
PNG
(6-((E)-Styryl)-5H-[1,3]dioxolo[4,5-g]quinolin-8-on...)
Show SMILES Oc1cc(C=Cc2ccccc2)nc2cc3OCOc3cc12 |w:5.5|
Show InChI InChI=1S/C18H13NO3/c20-16-8-13(7-6-12-4-2-1-3-5-12)19-15-10-18-17(9-14(15)16)21-11-22-18/h1-10H,11H2,(H,19,20)
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n/an/a 2.30E+3n/an/an/an/an/an/a



School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization


J Med Chem 37: 1126-35 (1994)


BindingDB Entry DOI: 10.7270/Q2ZC81XN
More data for this
Ligand-Target Pair
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)
BDBM50041120
PNG
(6,7-Dimethoxy-2-(3-methoxy-phenyl)-1H-quinolin-4-o...)
Show SMILES COc1cccc(c1)-c1cc(O)c2cc(OC)c(OC)cc2n1
Show InChI InChI=1S/C18H17NO4/c1-21-12-6-4-5-11(7-12)14-9-16(20)13-8-17(22-2)18(23-3)10-15(13)19-14/h4-10H,1-3H3,(H,19,20)
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n/an/a 4.30E+3n/an/an/an/an/an/a



School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization


J Med Chem 37: 1126-35 (1994)


BindingDB Entry DOI: 10.7270/Q2ZC81XN
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)
BDBM50041110
PNG
(6-(2,5-Dimethoxy-phenyl)-5H-[1,3]dioxolo[4,5-g]qui...)
Show SMILES COc1ccc(OC)c(c1)-c1cc(O)c2cc3OCOc3cc2n1
Show InChI InChI=1S/C18H15NO5/c1-21-10-3-4-16(22-2)12(5-10)13-7-15(20)11-6-17-18(24-9-23-17)8-14(11)19-13/h3-8H,9H2,1-2H3,(H,19,20)
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n/an/a 5.50E+3n/an/an/an/an/an/a



School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization


J Med Chem 37: 1126-35 (1994)


BindingDB Entry DOI: 10.7270/Q2ZC81XN
More data for this
Ligand-Target Pair
Tubulin beta-2B chain


(Bos taurus)
BDBM50041134
PNG
(2-(4-Hydroxy-phenyl)-6-methoxy-1H-quinolin-4-one |...)
Show SMILES COc1ccc2nc(cc(O)c2c1)-c1ccc(O)cc1
Show InChI InChI=1S/C16H13NO3/c1-20-12-6-7-14-13(8-12)16(19)9-15(17-14)10-2-4-11(18)5-3-10/h2-9,18H,1H3,(H,17,19)
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n/an/a 5.60E+3n/an/an/an/an/an/a



School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization


J Med Chem 37: 1126-35 (1994)


BindingDB Entry DOI: 10.7270/Q2ZC81XN
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)
BDBM50041128
PNG
(6-(2-Methoxy-phenyl)-5H-[1,3]dioxolo[4,5-g]quinoli...)
Show SMILES COc1ccccc1-c1cc(O)c2cc3OCOc3cc2n1
Show InChI InChI=1S/C17H13NO4/c1-20-15-5-3-2-4-10(15)12-7-14(19)11-6-16-17(22-9-21-16)8-13(11)18-12/h2-8H,9H2,1H3,(H,18,19)
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n/an/a 1.40E+4n/an/an/an/an/an/a



School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization


J Med Chem 37: 1126-35 (1994)


BindingDB Entry DOI: 10.7270/Q2ZC81XN
More data for this
Ligand-Target Pair
Tubulin beta-2B chain


(Bos taurus)
BDBM50041117
PNG
(2-(3-Dimethylamino-phenyl)-6,7-dimethoxy-1H-quinol...)
Show SMILES COc1cc2nc(cc(O)c2cc1OC)-c1cccc(c1)N(C)C
Show InChI InChI=1S/C19H20N2O3/c1-21(2)13-7-5-6-12(8-13)15-10-17(22)14-9-18(23-3)19(24-4)11-16(14)20-15/h5-11H,1-4H3,(H,20,22)
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n/an/a 1.50E+4n/an/an/an/an/an/a



School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization


J Med Chem 37: 1126-35 (1994)


BindingDB Entry DOI: 10.7270/Q2ZC81XN
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)
BDBM50041133
PNG
(6,7-Dimethoxy-2-phenyl-1H-quinolin-4-one | CHEMBL1...)
Show SMILES COc1cc2nc(cc(O)c2cc1OC)-c1ccccc1
Show InChI InChI=1S/C17H15NO3/c1-20-16-8-12-14(10-17(16)21-2)18-13(9-15(12)19)11-6-4-3-5-7-11/h3-10H,1-2H3,(H,18,19)
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n/an/a 1.80E+4n/an/an/an/an/an/a



School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization


J Med Chem 37: 1126-35 (1994)


BindingDB Entry DOI: 10.7270/Q2ZC81XN
More data for this
Ligand-Target Pair
Tubulin beta-2B chain


(Bos taurus)
BDBM50041102
PNG
(6-(1H-Pyrrol-2-yl)-5H-[1,3]dioxolo[4,5-g]quinolin-...)
Show SMILES Oc1cc(nc2cc3OCOc3cc12)-c1ccc[nH]1
Show InChI InChI=1S/C14H10N2O3/c17-12-5-11(9-2-1-3-15-9)16-10-6-14-13(4-8(10)12)18-7-19-14/h1-6,15H,7H2,(H,16,17)
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n/an/a 1.80E+4n/an/an/an/an/an/a



School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization


J Med Chem 37: 1126-35 (1994)


BindingDB Entry DOI: 10.7270/Q2ZC81XN
More data for this
Ligand-Target Pair
Tubulin beta-2B chain


(Bos taurus)
BDBM50041116
PNG
(6-Furan-2-yl-5H-[1,3]dioxolo[4,5-g]quinolin-8-one ...)
Show SMILES Oc1cc(nc2cc3OCOc3cc12)-c1ccco1
Show InChI InChI=1S/C14H9NO4/c16-11-5-10(12-2-1-3-17-12)15-9-6-14-13(4-8(9)11)18-7-19-14/h1-6H,7H2,(H,15,16)
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n/an/a 2.30E+4n/an/an/an/an/an/a



School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization


J Med Chem 37: 1126-35 (1994)


BindingDB Entry DOI: 10.7270/Q2ZC81XN
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
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)
BDBM50041140
PNG
(7-Fluoro-2-(4-methoxy-phenyl)-1H-quinolin-4-one | ...)
Show SMILES COc1ccc(cc1)-c1cc(O)c2ccc(F)cc2n1
Show InChI InChI=1S/C16H12FNO2/c1-20-12-5-2-10(3-6-12)14-9-16(19)13-7-4-11(17)8-15(13)18-14/h2-9H,1H3,(H,18,19)
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School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization


J Med Chem 37: 1126-35 (1994)


BindingDB Entry DOI: 10.7270/Q2ZC81XN
More data for this
Ligand-Target Pair
Tubulin beta-2B chain


(Bos taurus)
BDBM50041138
PNG
(6-(2,4-Dimethoxy-phenyl)-5H-[1,3]dioxolo[4,5-g]qui...)
Show SMILES COc1ccc(c(OC)c1)-c1cc(O)c2cc3OCOc3cc2n1
Show InChI InChI=1S/C18H15NO5/c1-21-10-3-4-11(16(5-10)22-2)13-7-15(20)12-6-17-18(24-9-23-17)8-14(12)19-13/h3-8H,9H2,1-2H3,(H,19,20)
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School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization


J Med Chem 37: 1126-35 (1994)


BindingDB Entry DOI: 10.7270/Q2ZC81XN
More data for this
Ligand-Target Pair
Tubulin beta-2B chain


(Bos taurus)
BDBM50041139
PNG
(2-(3,4-Dimethoxy-phenyl)-6,7-dimethoxy-1H-quinolin...)
Show SMILES COc1ccc(cc1OC)-c1cc(O)c2cc(OC)c(OC)cc2n1
Show InChI InChI=1S/C19H19NO5/c1-22-16-6-5-11(7-17(16)23-2)13-9-15(21)12-8-18(24-3)19(25-4)10-14(12)20-13/h5-10H,1-4H3,(H,20,21)
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n/an/a>4.00E+4n/an/an/an/an/an/a



School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization


J Med Chem 37: 1126-35 (1994)


BindingDB Entry DOI: 10.7270/Q2ZC81XN
More data for this
Ligand-Target Pair
Tubulin beta-2B chain


(Bos taurus)
BDBM50041136
PNG
(6,7,8,14-tetrahydro-5H-benzo[6,7]cyclohepta[b][1,3...)
Show SMILES Oc1c2CCCc3ccccc3-c2nc2cc3OCOc3cc12
Show InChI InChI=1S/C19H15NO3/c21-19-13-7-3-5-11-4-1-2-6-12(11)18(13)20-15-9-17-16(8-14(15)19)22-10-23-17/h1-2,4,6,8-9H,3,5,7,10H2,(H,20,21)
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n/an/a>4.00E+4n/an/an/an/an/an/a



School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization


J Med Chem 37: 1126-35 (1994)


BindingDB Entry DOI: 10.7270/Q2ZC81XN
More data for this
Ligand-Target Pair
Tubulin beta-2B chain


(Bos taurus)
BDBM50041125
PNG
(6-(2,3,4-Trimethoxy-phenyl)-5H-[1,3]dioxolo[4,5-g]...)
Show SMILES COc1ccc(-c2cc(O)c3cc4OCOc4cc3n2)c(OC)c1OC
Show InChI InChI=1S/C19H17NO6/c1-22-15-5-4-10(18(23-2)19(15)24-3)12-7-14(21)11-6-16-17(26-9-25-16)8-13(11)20-12/h4-8H,9H2,1-3H3,(H,20,21)
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School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization


J Med Chem 37: 1126-35 (1994)


BindingDB Entry DOI: 10.7270/Q2ZC81XN
More data for this
Ligand-Target Pair
Tubulin beta-2B chain


(Bos taurus)
BDBM50041129
PNG
(2-(3,4,5-Trimethoxy-phenyl)-1H-quinolin-4-one | CH...)
Show SMILES COc1cc(cc(OC)c1OC)-c1cc(O)c2ccccc2n1
Show InChI InChI=1S/C18H17NO4/c1-21-16-8-11(9-17(22-2)18(16)23-3)14-10-15(20)12-6-4-5-7-13(12)19-14/h4-10H,1-3H3,(H,19,20)
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School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization


J Med Chem 37: 1126-35 (1994)


BindingDB Entry DOI: 10.7270/Q2ZC81XN
More data for this
Ligand-Target Pair
Tubulin beta-2B chain


(Bos taurus)
BDBM50041132
PNG
(6-Methoxy-2-(4-methoxy-phenyl)-1H-quinolin-4-one |...)
Show SMILES COc1ccc(cc1)-c1cc(O)c2cc(OC)ccc2n1
Show InChI InChI=1S/C17H15NO3/c1-20-12-5-3-11(4-6-12)16-10-17(19)14-9-13(21-2)7-8-15(14)18-16/h3-10H,1-2H3,(H,18,19)
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n/an/a>4.00E+4n/an/an/an/an/an/a



School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization


J Med Chem 37: 1126-35 (1994)


BindingDB Entry DOI: 10.7270/Q2ZC81XN
More data for this
Ligand-Target Pair
Tubulin beta-2B chain


(Bos taurus)
BDBM50041124
PNG
(6-(4-Methoxy-phenyl)-5H-[1,3]dioxolo[4,5-g]quinoli...)
Show SMILES COc1ccc(cc1)-c1cc(O)c2cc3OCOc3cc2n1
Show InChI InChI=1S/C17H13NO4/c1-20-11-4-2-10(3-5-11)13-7-15(19)12-6-16-17(22-9-21-16)8-14(12)18-13/h2-8H,9H2,1H3,(H,18,19)
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n/an/a>4.00E+4n/an/an/an/an/an/a



School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization


J Med Chem 37: 1126-35 (1994)


BindingDB Entry DOI: 10.7270/Q2ZC81XN
More data for this
Ligand-Target Pair
Tubulin beta-2B chain


(Bos taurus)
BDBM50041131
PNG
(6-(4-Dimethylamino-phenyl)-5H-[1,3]dioxolo[4,5-g]q...)
Show SMILES CN(C)c1ccc(cc1)-c1cc(O)c2cc3OCOc3cc2n1
Show InChI InChI=1S/C18H16N2O3/c1-20(2)12-5-3-11(4-6-12)14-8-16(21)13-7-17-18(23-10-22-17)9-15(13)19-14/h3-9H,10H2,1-2H3,(H,19,21)
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n/an/a>4.00E+4n/an/an/an/an/an/a



School of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization


J Med Chem 37: 1126-35 (1994)


BindingDB Entry DOI: 10.7270/Q2ZC81XN
More data for this
Ligand-Target Pair
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