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Compile Data Set for Download or QSAR

Found 370 hits with Last Name = 'yang' and Initial = 'zy'   
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
DNA gyrase subunit A/B


(Escherichia coli (strain K12))
BDBM21690
PNG
(1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,...)
Show SMILES OC(=O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O
Show InChI InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)
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n/an/a 440n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Escherichia coli DNA gyrase using relaxed DNA as substrate incubated for 15 mins by ethidium bromide-based agarose gel electrophoresis


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112222
BindingDB Entry DOI: 10.7270/Q2X06BPC
More data for this
Ligand-Target Pair
Tubulin alpha-1A chain


(Sus scrofa (Pig))
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



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization.(ITP)


J Med Chem 44: 3932-6 (2001)


BindingDB Entry DOI: 10.7270/Q2PK0FFW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Similar to alpha-tubulin isoform 1


(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



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin polymerization (ITP).


J Med Chem 41: 1155-62 (1998)


Article DOI: 10.1021/jm9707479
BindingDB Entry DOI: 10.7270/Q2RN3BKW
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50037450
PNG
(2-(3-Methoxy-phenyl)-6-pyrrolidin-1-yl-1H-quinolin...)
Show SMILES COc1cccc(c1)-c1cc(O)c2cc(ccc2n1)N1CCCC1
Show InChI InChI=1S/C20H20N2O2/c1-24-16-6-4-5-14(11-16)19-13-20(23)17-12-15(7-8-18(17)21-19)22-9-2-3-10-22/h4-8,11-13H,2-3,9-10H2,1H3,(H,21,23)
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n/an/a 490n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin polymerization (ITP).


J Med Chem 41: 1155-62 (1998)


Article DOI: 10.1021/jm9707479
BindingDB Entry DOI: 10.7270/Q2RN3BKW
More data for this
Ligand-Target Pair
Tubulin alpha-1A chain


(Sus scrofa (Pig))
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



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization(ITP)


J Med Chem 44: 3932-6 (2001)


BindingDB Entry DOI: 10.7270/Q2PK0FFW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Similar to alpha-tubulin isoform 1


(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



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin polymerization (ITP).


J Med Chem 41: 1155-62 (1998)


Article DOI: 10.1021/jm9707479
BindingDB Entry DOI: 10.7270/Q2RN3BKW
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50472205
PNG
(CHEMBL273311)
Show SMILES Fc1ccccc1[C@@H]1CC(=O)c2cc3OCOc3cc2N1
Show InChI InChI=1S/C16H12FNO3/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/h1-5,7,12,18H,6,8H2/t12-/m0/s1
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n/an/a 560n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin polymerization (ITP).


J Med Chem 41: 1155-62 (1998)


Article DOI: 10.1021/jm9707479
BindingDB Entry DOI: 10.7270/Q2RN3BKW
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50472217
PNG
(CHEMBL15997)
Show SMILES COc1cccc(c1)C1CC(=O)c2cc(ccc2N1)N1CCCC1
Show InChI InChI=1S/C20H22N2O2/c1-24-16-6-4-5-14(11-16)19-13-20(23)17-12-15(7-8-18(17)21-19)22-9-2-3-10-22/h4-8,11-12,19,21H,2-3,9-10,13H2,1H3
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n/an/a 660n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin polymerization (ITP).


J Med Chem 41: 1155-62 (1998)


Article DOI: 10.1021/jm9707479
BindingDB Entry DOI: 10.7270/Q2RN3BKW
More data for this
Ligand-Target Pair
Tubulin alpha-1A chain


(Sus scrofa (Pig))
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 680n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization(ITP)


J Med Chem 44: 3932-6 (2001)


BindingDB Entry DOI: 10.7270/Q2PK0FFW
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50063845
PNG
((S)-6-(3-Methoxy-phenyl)-6,7-dihydro-5H-[1,3]dioxo...)
Show SMILES COc1cccc(c1)[C@@H]1CC(=O)c2cc3OCOc3cc2N1
Show InChI InChI=1S/C17H15NO4/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/h2-6,8,13,18H,7,9H2,1H3/t13-/m0/s1
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n/an/a 690n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin polymerization (ITP).


J Med Chem 41: 1155-62 (1998)


Article DOI: 10.1021/jm9707479
BindingDB Entry DOI: 10.7270/Q2RN3BKW
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(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 740n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin polymerization (ITP).


J Med Chem 41: 1155-62 (1998)


Article DOI: 10.1021/jm9707479
BindingDB Entry DOI: 10.7270/Q2RN3BKW
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50472211
PNG
(CHEMBL16058)
Show SMILES Fc1cccc(c1)C1CC(=O)c2cc3OCOc3cc2N1
Show InChI InChI=1S/C16H12FNO3/c17-10-3-1-2-9(4-10)12-6-14(19)11-5-15-16(21-8-20-15)7-13(11)18-12/h1-5,7,12,18H,6,8H2
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n/an/a 750n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin polymerization (ITP).


J Med Chem 41: 1155-62 (1998)


Article DOI: 10.1021/jm9707479
BindingDB Entry DOI: 10.7270/Q2RN3BKW
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50472208
PNG
(CHEMBL16221)
Show SMILES Clc1cccc(c1)C1CC(=O)c2cc(ccc2N1)N1CCCC1
Show InChI InChI=1S/C19H19ClN2O/c20-14-5-3-4-13(10-14)18-12-19(23)16-11-15(6-7-17(16)21-18)22-8-1-2-9-22/h3-7,10-11,18,21H,1-2,8-9,12H2
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n/an/a 760n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin polymerization (ITP).


J Med Chem 41: 1155-62 (1998)


Article DOI: 10.1021/jm9707479
BindingDB Entry DOI: 10.7270/Q2RN3BKW
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50059122
PNG
(2-(3-Methoxy-phenyl)-1H-[1,8]naphthyridin-4-one | ...)
Show SMILES COc1cccc(c1)-c1cc(O)c2cccnc2n1
Show InChI InChI=1S/C15H12N2O2/c1-19-11-5-2-4-10(8-11)13-9-14(18)12-6-3-7-16-15(12)17-13/h2-9H,1H3,(H,16,17,18)
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n/an/a 790n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin polymerization (ITP).


J Med Chem 41: 1155-62 (1998)


Article DOI: 10.1021/jm9707479
BindingDB Entry DOI: 10.7270/Q2RN3BKW
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(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



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin polymerization (ITP).


J Med Chem 41: 1155-62 (1998)


Article DOI: 10.1021/jm9707479
BindingDB Entry DOI: 10.7270/Q2RN3BKW
More data for this
Ligand-Target Pair
Tubulin alpha-1A chain


(Sus scrofa (Pig))
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



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization(ITP)


J Med Chem 44: 3932-6 (2001)


BindingDB Entry DOI: 10.7270/Q2PK0FFW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50472212
PNG
(CHEMBL16430)
Show SMILES COc1cccc(c1)C1CC(=O)c2cc3OCOc3cc2N1
Show InChI InChI=1S/C17H15NO4/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/h2-6,8,13,18H,7,9H2,1H3
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n/an/a 820n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin polymerization (ITP).


J Med Chem 41: 1155-62 (1998)


Article DOI: 10.1021/jm9707479
BindingDB Entry DOI: 10.7270/Q2RN3BKW
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50472201
PNG
(CHEMBL16092)
Show SMILES Fc1ccccc1C1CC(=O)c2cc3OCOc3cc2N1
Show InChI InChI=1S/C16H12FNO3/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/h1-5,7,12,18H,6,8H2
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n/an/a 1.10E+3n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin polymerization (ITP).


J Med Chem 41: 1155-62 (1998)


Article DOI: 10.1021/jm9707479
BindingDB Entry DOI: 10.7270/Q2RN3BKW
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50472210
PNG
(CHEMBL16065)
Show SMILES COc1cccc(c1)[C@@H]1CC(=O)c2ccccc2N1
Show InChI InChI=1S/C16H15NO2/c1-19-12-6-4-5-11(9-12)15-10-16(18)13-7-2-3-8-14(13)17-15/h2-9,15,17H,10H2,1H3/t15-/m0/s1
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n/an/a 1.20E+3n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin polymerization (ITP).


J Med Chem 41: 1155-62 (1998)


Article DOI: 10.1021/jm9707479
BindingDB Entry DOI: 10.7270/Q2RN3BKW
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(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 1.50E+3n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin polymerization (ITP).


J Med Chem 41: 1155-62 (1998)


Article DOI: 10.1021/jm9707479
BindingDB Entry DOI: 10.7270/Q2RN3BKW
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50472214
PNG
(CHEMBL277796)
Show SMILES Fc1ccc(cc1)C1CC(=O)c2cc3OCOc3cc2N1
Show InChI InChI=1S/C16H12FNO3/c17-10-3-1-9(2-4-10)12-6-14(19)11-5-15-16(21-8-20-15)7-13(11)18-12/h1-5,7,12,18H,6,8H2
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n/an/a 2.00E+3n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin polymerization (ITP).


J Med Chem 41: 1155-62 (1998)


Article DOI: 10.1021/jm9707479
BindingDB Entry DOI: 10.7270/Q2RN3BKW
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50063861
PNG
((R)-6-(3-Methoxy-phenyl)-6,7-dihydro-5H-[1,3]dioxo...)
Show SMILES COc1cccc(c1)[C@H]1CC(=O)c2cc3OCOc3cc2N1
Show InChI InChI=1S/C17H15NO4/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/h2-6,8,13,18H,7,9H2,1H3/t13-/m1/s1
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n/an/a 2.30E+3n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin polymerization (ITP).


J Med Chem 41: 1155-62 (1998)


Article DOI: 10.1021/jm9707479
BindingDB Entry DOI: 10.7270/Q2RN3BKW
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50472200
PNG
(Aza-flavanone)
Show SMILES O=C1CC(Nc2ccccc12)c1ccccc1
Show InChI InChI=1S/C15H13NO/c17-15-10-14(11-6-2-1-3-7-11)16-13-9-5-4-8-12(13)15/h1-9,14,16H,10H2
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n/an/a 2.70E+3n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin polymerization (ITP).


J Med Chem 41: 1155-62 (1998)


Article DOI: 10.1021/jm9707479
BindingDB Entry DOI: 10.7270/Q2RN3BKW
More data for this
Ligand-Target Pair
Tubulin alpha-1A chain


(Sus scrofa (Pig))
BDBM50106310
PNG
(2,2-Dimethyl-propionic acid 6-(2-fluoro-phenyl)-8-...)
Show SMILES CC(C)(C)C(=O)On1c(cc(=O)c2cc3OCOc3cc12)-c1ccccc1F
Show InChI InChI=1S/C21H18FNO5/c1-21(2,3)20(25)28-23-15(12-6-4-5-7-14(12)22)9-17(24)13-8-18-19(10-16(13)23)27-11-26-18/h4-10H,11H2,1-3H3
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n/an/a 3.20E+3n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization.(ITP)


J Med Chem 44: 3932-6 (2001)


BindingDB Entry DOI: 10.7270/Q2PK0FFW
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50472206
PNG
(CHEMBL274468)
Show SMILES COc1cccc(c1)C1CC(=O)c2ccccc2N1
Show InChI InChI=1S/C16H15NO2/c1-19-12-6-4-5-11(9-12)15-10-16(18)13-7-2-3-8-14(13)17-15/h2-9,15,17H,10H2,1H3
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n/an/a 3.30E+3n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin polymerization (ITP).


J Med Chem 41: 1155-62 (1998)


Article DOI: 10.1021/jm9707479
BindingDB Entry DOI: 10.7270/Q2RN3BKW
More data for this
Ligand-Target Pair
Tubulin alpha-1A chain


(Sus scrofa (Pig))
BDBM50012666
PNG
(2-((E)-Styryl)-3H-quinazolin-4-one | 2-Styryl-3H-q...)
Show SMILES O=c1[nH]c(C=Cc2ccccc2)nc2ccccc12 |w:5.5|
Show InChI InChI=1S/C16H12N2O/c19-16-13-8-4-5-9-14(13)17-15(18-16)11-10-12-6-2-1-3-7-12/h1-11H,(H,17,18,19)
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n/an/a 5.00E+3n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization.(ITP)


J Med Chem 44: 3932-6 (2001)


BindingDB Entry DOI: 10.7270/Q2PK0FFW
More data for this
Ligand-Target Pair
Tubulin alpha-1A chain


(Sus scrofa (Pig))
BDBM50135656
PNG
(CHEMBL96951 | [2-(2-Fluoro-phenyl)-4-oxo-1,4-dihyd...)
Show SMILES OC(=O)Cc1ccc2nc(cc(O)c2c1)-c1ccccc1F
Show InChI InChI=1S/C17H12FNO3/c18-13-4-2-1-3-11(13)15-9-16(20)12-7-10(8-17(21)22)5-6-14(12)19-15/h1-7,9H,8H2,(H,19,20)(H,21,22)
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n/an/a 5.20E+3n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibitory concentration required against tubulin polymerization determined using tubulin assay


Bioorg Med Chem Lett 13: 2891-3 (2003)


BindingDB Entry DOI: 10.7270/Q25M654H
More data for this
Ligand-Target Pair
Tubulin alpha-1A chain


(Sus scrofa (Pig))
BDBM50135658
PNG
(CHEMBL99665 | [2-(2-Fluoro-phenyl)-4-oxo-1,4-dihyd...)
Show SMILES COC(=O)Cc1cccc2c(O)cc(nc12)-c1ccccc1F
Show InChI InChI=1S/C18H14FNO3/c1-23-17(22)9-11-5-4-7-13-16(21)10-15(20-18(11)13)12-6-2-3-8-14(12)19/h2-8,10H,9H2,1H3,(H,20,21)
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n/an/a 5.50E+3n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibitory concentration required against tubulin polymerization determined using tubulin assay


Bioorg Med Chem Lett 13: 2891-3 (2003)


BindingDB Entry DOI: 10.7270/Q25M654H
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50482774
PNG
(CHEMBL1253531)
Show SMILES C[C@@H]1Oc2ccc3c(C)cc(=O)oc3c2[C@@H](OC(=O)[C@]23CC[C@](C)(C(=O)O2)C3(C)C)[C@H]1OC(=O)[C@]12CC[C@](C)(C(=O)O1)C2(C)C |r,TLB:40:39:42:35.36,25:24:27:20.21|
Show InChI InChI=1S/C34H38O11/c1-16-15-20(35)41-23-18(16)9-10-19-21(23)24(43-28(39)34-14-12-32(8,26(37)45-34)30(34,5)6)22(17(2)40-19)42-27(38)33-13-11-31(7,25(36)44-33)29(33,3)4/h9-10,15,17,22,24H,11-14H2,1-8H3/t17-,22-,24+,31+,32+,33-,34-/m0/s1
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n/an/a 6.70E+3n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 DH012 reverse transcriptase by roche colorimetric assay


Bioorg Med Chem 18: 7203-11 (2010)


Article DOI: 10.1016/j.bmc.2010.08.031
BindingDB Entry DOI: 10.7270/Q2FX7D9M
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50472209
PNG
(CHEMBL16612)
Show SMILES COc1cccc(c1)[C@H]1CC(=O)c2ccccc2N1
Show InChI InChI=1S/C16H15NO2/c1-19-12-6-4-5-11(9-12)15-10-16(18)13-7-2-3-8-14(13)17-15/h2-9,15,17H,10H2,1H3/t15-/m1/s1
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n/an/a 7.20E+3n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin polymerization (ITP).


J Med Chem 41: 1155-62 (1998)


Article DOI: 10.1021/jm9707479
BindingDB Entry DOI: 10.7270/Q2RN3BKW
More data for this
Ligand-Target Pair
Tubulin alpha-1A chain


(Sus scrofa (Pig))
BDBM48563
PNG
(2-phenyl-1H-quinolin-4-one | 2-phenyl-4-quinolone ...)
Show SMILES Oc1cc(nc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C15H11NO/c17-15-10-14(11-6-2-1-3-7-11)16-13-9-5-4-8-12(13)15/h1-10H,(H,16,17)
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n/an/a 7.30E+3n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization(ITP)


J Med Chem 44: 3932-6 (2001)


BindingDB Entry DOI: 10.7270/Q2PK0FFW
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Escherichia coli (strain K12))
BDBM50551686
PNG
(CHEMBL4751047)
Show SMILES [H][C@@]1(O[C@@H]2[C@@H](C)[C@H](OC(=O)Cc3ccccn3)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)N(C)C[C@H](C)C[C@@]2(C)OC(=O)CCN2CCN(CC2C)c2c(F)cc3c(c2OC)n(cc(C(N)=O)c3=O)C2CC2)O[C@H](C)C[C@@H]([C@H]1O)N(C)C |r|
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n/an/a 9.60E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Escherichia coli DNA gyrase using relaxed DNA as substrate incubated for 15 mins by ethidium bromide-based agarose gel electrophoresis


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112222
BindingDB Entry DOI: 10.7270/Q2X06BPC
More data for this
Ligand-Target Pair
Tubulin alpha-1A chain


(Sus scrofa (Pig))
BDBM50135662
PNG
(CHEMBL439958 | [2-(2-Fluoro-phenyl)-4-oxo-1,4-dihy...)
Show SMILES OC(=O)Cc1ccc2c(O)cc(nc2c1)-c1ccccc1F
Show InChI InChI=1S/C17H12FNO3/c18-13-4-2-1-3-11(13)15-9-16(20)12-6-5-10(8-17(21)22)7-14(12)19-15/h1-7,9H,8H2,(H,19,20)(H,21,22)
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n/an/a 1.00E+4n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibitory concentration required against tubulin polymerization determined using tubulin assay


Bioorg Med Chem Lett 13: 2891-3 (2003)


BindingDB Entry DOI: 10.7270/Q25M654H
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50482775
PNG
(4-Me-DCK | CHEMBL1253541)
Show SMILES Cc1cc(=O)oc2c3[C@@H](OC(=O)[C@]45CC[C@](C)(C(=O)O4)C5(C)C)[C@@H](OC(=O)[C@]45CC[C@](C)(C(=O)O4)C5(C)C)C(C)(C)Oc3ccc12 |r,TLB:33:32:35:28.29,18:17:20:13.14|
Show InChI InChI=1S/C35H40O11/c1-17-16-20(36)41-22-18(17)10-11-19-21(22)23(42-27(39)34-14-12-32(8,25(37)45-34)30(34,4)5)24(29(2,3)44-19)43-28(40)35-15-13-33(9,26(38)46-35)31(35,6)7/h10-11,16,23-24H,12-15H2,1-9H3/t23-,24-,32-,33-,34+,35+/m1/s1
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n/an/a 1.04E+4n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 DH012 reverse transcriptase by roche colorimetric assay


Bioorg Med Chem 18: 7203-11 (2010)


Article DOI: 10.1016/j.bmc.2010.08.031
BindingDB Entry DOI: 10.7270/Q2FX7D9M
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50472218
PNG
(CHEMBL16611)
Show SMILES Fc1ccccc1[C@H]1CC(=O)c2cc3OCOc3cc2N1
Show InChI InChI=1S/C16H12FNO3/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/h1-5,7,12,18H,6,8H2/t12-/m1/s1
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n/an/a 1.20E+4n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin polymerization (ITP).


J Med Chem 41: 1155-62 (1998)


Article DOI: 10.1021/jm9707479
BindingDB Entry DOI: 10.7270/Q2RN3BKW
More data for this
Ligand-Target Pair
Tubulin alpha-1A chain


(Sus scrofa (Pig))
BDBM50106308
PNG
(4-[6-(2-Fluoro-phenyl)-[1,3]dioxolo[4,5-g]quinolin...)
Show SMILES OC(=O)CCCOc1cc(nc2cc3OCOc3cc12)-c1ccccc1F
Show InChI InChI=1S/C20H16FNO5/c21-14-5-2-1-4-12(14)15-9-17(25-7-3-6-20(23)24)13-8-18-19(27-11-26-18)10-16(13)22-15/h1-2,4-5,8-10H,3,6-7,11H2,(H,23,24)
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n/an/a 1.20E+4n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization.(ITP)


J Med Chem 44: 3932-6 (2001)


BindingDB Entry DOI: 10.7270/Q2PK0FFW
More data for this
Ligand-Target Pair
Tubulin alpha-1A chain


(Sus scrofa (Pig))
BDBM50106307
PNG
(2-Phenyl-2,3-dihydro-1H-quinazolin-4-one | CHEMBL1...)
Show SMILES O=C1NC(Nc2ccccc12)c1ccccc1
Show InChI InChI=1S/C14H12N2O/c17-14-11-8-4-5-9-12(11)15-13(16-14)10-6-2-1-3-7-10/h1-9,13,15H,(H,16,17)
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n/an/a 1.40E+4n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization.(ITP)


J Med Chem 44: 3932-6 (2001)


BindingDB Entry DOI: 10.7270/Q2PK0FFW
More data for this
Ligand-Target Pair
Tubulin alpha-1A chain


(Sus scrofa (Pig))
BDBM50106306
PNG
(CHEMBL338626 | [6-(2-Fluoro-phenyl)-[1,3]dioxolo[4...)
Show SMILES OC(=O)COc1cc(nc2cc3OCOc3cc12)-c1ccccc1F
Show InChI InChI=1S/C18H12FNO5/c19-12-4-2-1-3-10(12)13-6-15(23-8-18(21)22)11-5-16-17(25-9-24-16)7-14(11)20-13/h1-7H,8-9H2,(H,21,22)
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University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization.(ITP)


J Med Chem 44: 3932-6 (2001)


BindingDB Entry DOI: 10.7270/Q2PK0FFW
More data for this
Ligand-Target Pair
Tubulin alpha-1A chain


(Sus scrofa (Pig))
BDBM50106311
PNG
(6-(2-Fluoro-phenyl)-5H-[1,3]dioxolo[4,5-g]quinolin...)
Show SMILES Fc1ccccc1-c1cc(S)c2cc3OCOc3cc2n1
Show InChI InChI=1S/C16H10FNO2S/c17-11-4-2-1-3-9(11)13-7-16(21)10-5-14-15(20-8-19-14)6-12(10)18-13/h1-7H,8H2,(H,18,21)
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n/an/a 2.40E+4n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization.(ITP)


J Med Chem 44: 3932-6 (2001)


BindingDB Entry DOI: 10.7270/Q2PK0FFW
More data for this
Ligand-Target Pair
Tubulin alpha-1A chain


(Sus scrofa (Pig))
BDBM50135659
PNG
((4-Oxo-2-phenyl-1,4-dihydro-quinolin-8-yl)-acetic ...)
Show SMILES COC(=O)Cc1cccc2c(O)cc(nc12)-c1ccccc1
Show InChI InChI=1S/C18H15NO3/c1-22-17(21)10-13-8-5-9-14-16(20)11-15(19-18(13)14)12-6-3-2-4-7-12/h2-9,11H,10H2,1H3,(H,19,20)
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n/an/a 3.00E+4n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibitory concentration required against tubulin polymerization determined using tubulin assay


Bioorg Med Chem Lett 13: 2891-3 (2003)


BindingDB Entry DOI: 10.7270/Q25M654H
More data for this
Ligand-Target Pair
Tubulin alpha-1A chain


(Sus scrofa (Pig))
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 3.90E+4n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Percent inhibition of colchicine binding(ICB) at 5 uM [3H]-colchicine concentration


J Med Chem 44: 3932-6 (2001)


BindingDB Entry DOI: 10.7270/Q2PK0FFW
More data for this
Ligand-Target Pair
Tubulin alpha-1A chain


(Sus scrofa (Pig))
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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University of North Carolina

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization.(ITP)


J Med Chem 44: 3932-6 (2001)


BindingDB Entry DOI: 10.7270/Q2PK0FFW
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50472215
PNG
(CHEMBL273550)
Show SMILES COc1ccc(cc1)C1CC(=O)c2ccccc2N1
Show InChI InChI=1S/C16H15NO2/c1-19-12-8-6-11(7-9-12)15-10-16(18)13-4-2-3-5-14(13)17-15/h2-9,15,17H,10H2,1H3
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University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin polymerization (ITP).


J Med Chem 41: 1155-62 (1998)


Article DOI: 10.1021/jm9707479
BindingDB Entry DOI: 10.7270/Q2RN3BKW
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50472216
PNG
(CHEMBL278893)
Show SMILES CC(NC(=O)C(=O)N\N=C1/C[C@@H](Nc2cc3OCOc3cc12)c1ccccc1F)c1ccccc1
Show InChI InChI=1S/C26H23FN4O4/c1-15(16-7-3-2-4-8-16)28-25(32)26(33)31-30-22-12-20(17-9-5-6-10-19(17)27)29-21-13-24-23(11-18(21)22)34-14-35-24/h2-11,13,15,20,29H,12,14H2,1H3,(H,28,32)(H,31,33)/b30-22+/t15?,20-/m1/s1
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University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin polymerization (ITP).


J Med Chem 41: 1155-62 (1998)


Article DOI: 10.1021/jm9707479
BindingDB Entry DOI: 10.7270/Q2RN3BKW
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50472219
PNG
(CHEMBL278746)
Show SMILES COc1cccc(c1)[C@H]1C\C(=N/NC(=O)C(=O)NC(C)c2ccccc2)c2cc3OCOc3cc2N1
Show InChI InChI=1S/C27H26N4O5/c1-16(17-7-4-3-5-8-17)28-26(32)27(33)31-30-23-13-21(18-9-6-10-19(11-18)34-2)29-22-14-25-24(12-20(22)23)35-15-36-25/h3-12,14,16,21,29H,13,15H2,1-2H3,(H,28,32)(H,31,33)/b30-23+/t16?,21-/m1/s1
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UniProtKB/TrEMBL

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n/an/a>4.00E+4n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin polymerization (ITP).


J Med Chem 41: 1155-62 (1998)


Article DOI: 10.1021/jm9707479
BindingDB Entry DOI: 10.7270/Q2RN3BKW
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50472213
PNG
(CHEMBL16198)
Show SMILES COc1cccc(c1)[C@@H]1C\C(=N/NC(=O)C(=O)NC(C)c2ccccc2)c2ccccc2N1
Show InChI InChI=1S/C26H26N4O3/c1-17(18-9-4-3-5-10-18)27-25(31)26(32)30-29-24-16-23(19-11-8-12-20(15-19)33-2)28-22-14-7-6-13-21(22)24/h3-15,17,23,28H,16H2,1-2H3,(H,27,31)(H,30,32)/b29-24+/t17?,23-/m0/s1
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n/an/a>4.00E+4n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin polymerization (ITP).


J Med Chem 41: 1155-62 (1998)


Article DOI: 10.1021/jm9707479
BindingDB Entry DOI: 10.7270/Q2RN3BKW
More data for this
Ligand-Target Pair
Tubulin alpha-1A chain


(Sus scrofa (Pig))
BDBM50135657
PNG
(CHEMBL100418 | [2-(2-Fluoro-phenyl)-4-oxo-1,4-dihy...)
Show SMILES OC(=O)Cc1cccc2c(O)cc(nc12)-c1ccccc1F
Show InChI InChI=1S/C17H12FNO3/c18-13-7-2-1-5-11(13)14-9-15(20)12-6-3-4-10(8-16(21)22)17(12)19-14/h1-7,9H,8H2,(H,19,20)(H,21,22)
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n/an/a>4.00E+4n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibitory concentration required against tubulin polymerization determined using tubulin assay


Bioorg Med Chem Lett 13: 2891-3 (2003)


BindingDB Entry DOI: 10.7270/Q25M654H
More data for this
Ligand-Target Pair
Tubulin alpha-1A chain


(Sus scrofa (Pig))
BDBM50135660
PNG
((4-Oxo-2-phenyl-1,4-dihydro-quinolin-8-yl)-acetic ...)
Show SMILES OC(=O)Cc1cccc2c(O)cc(nc12)-c1ccccc1
Show InChI InChI=1S/C17H13NO3/c19-15-10-14(11-5-2-1-3-6-11)18-17-12(9-16(20)21)7-4-8-13(15)17/h1-8,10H,9H2,(H,18,19)(H,20,21)
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n/an/a>4.00E+4n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibitory concentration required against tubulin polymerization determined using tubulin assay


Bioorg Med Chem Lett 13: 2891-3 (2003)


BindingDB Entry DOI: 10.7270/Q25M654H
More data for this
Ligand-Target Pair
Tubulin alpha-1A chain


(Sus scrofa (Pig))
BDBM50135661
PNG
(CHEMBL98824 | [2-(2-Fluoro-phenyl)-4-oxo-1,4-dihyd...)
Show SMILES OC(=O)Cc1cccc2nc(cc(O)c12)-c1ccccc1F
Show InChI InChI=1S/C17H12FNO3/c18-12-6-2-1-5-11(12)14-9-15(20)17-10(8-16(21)22)4-3-7-13(17)19-14/h1-7,9H,8H2,(H,19,20)(H,21,22)
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n/an/a>4.00E+4n/an/an/an/an/an/a



University of North Carolina

Curated by ChEMBL


Assay Description
Inhibitory concentration required against tubulin polymerization determined using tubulin assay


Bioorg Med Chem Lett 13: 2891-3 (2003)


BindingDB Entry DOI: 10.7270/Q25M654H
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50472207
PNG
(CHEMBL273803)
Show SMILES COc1cccc(c1)[C@@H]1C\C(=N/NC(=O)C(=O)NC(C)c2ccccc2)c2cc3OCOc3cc2N1
Show InChI InChI=1S/C27H26N4O5/c1-16(17-7-4-3-5-8-17)28-26(32)27(33)31-30-23-13-21(18-9-6-10-19(11-18)34-2)29-22-14-25-24(12-20(22)23)35-15-36-25/h3-12,14,16,21,29H,13,15H2,1-2H3,(H,28,32)(H,31,33)/b30-23+/t16?,21-/m0/s1
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n/an/a>4.00E+4n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of bovine brain tubulin polymerization (ITP).


J Med Chem 41: 1155-62 (1998)


Article DOI: 10.1021/jm9707479
BindingDB Entry DOI: 10.7270/Q2RN3BKW
More data for this
Ligand-Target Pair
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