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Compile Data Set for Download or QSAR

Found 74 hits with Last Name = 'burger' and Initial = 'am'   
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
Adenosine deaminase


(Bos taurus (bovine))		BDBM21955
PNG
(4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxym...)
Show SMILES Nc1n[nH]c(=O)c2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C10H13N5O5/c11-8-4-5(9(19)14-13-8)15(2-12-4)10-7(18)6(17)3(1-16)20-10/h2-3,6-7,10,16-18H,1H2,(H2,11,13)(H,14,19)/t3-,6-,7-,10-/m1/s1
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 1.06E+4 -28.4n/an/an/an/an/a7.025



University of Maryland Baltimore County



Assay Description
The target compounds were screened against calf intestine ADA in vitro by monitoring the rate of hydrolyzing adenosine into inosine spectrophotometri...

J Med Chem 51: 694-8 (2008)


Article DOI: 10.1021/jm700931t
BindingDB Entry DOI: 10.7270/Q20R9MP1
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))		BDBM21953
PNG
(4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)o...)
Show SMILES Nc1n[nH]c(=O)c2n(cnc12)[C@H]1C[C@H](O)[C@@H](CO)O1 |r|
Show InChI InChI=1S/C10H13N5O4/c11-9-7-8(10(18)14-13-9)15(3-12-7)6-1-4(17)5(2-16)19-6/h3-6,16-17H,1-2H2,(H2,11,13)(H,14,18)/t4-,5+,6+/m0/s1
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 1.21E+4 -28.1n/an/an/an/an/a7.025



University of Maryland Baltimore County



Assay Description
The target compounds were screened against calf intestine ADA in vitro by monitoring the rate of hydrolyzing adenosine into inosine spectrophotometri...

J Med Chem 51: 694-8 (2008)


Article DOI: 10.1021/jm700931t
BindingDB Entry DOI: 10.7270/Q20R9MP1
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))		BDBM21957
PNG
(4-(hydrazinocarbonyl)-1-beta-D-ribofuranosyl-1H-im...)
Show SMILES NNC(=N)c1c(ncn1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C(=O)NN |r|
Show InChI InChI=1S/C10H17N7O5/c11-8(15-12)5-4(9(21)16-13)14-2-17(5)10-7(20)6(19)3(1-18)22-10/h2-3,6-7,10,18-20H,1,12-13H2,(H2,11,15)(H,16,21)/t3-,6-,7-,10-/m1/s1
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 2.65E+4 -26.1n/an/an/an/an/a7.025



University of Maryland Baltimore County



Assay Description
The target compounds were screened against calf intestine ADA in vitro by monitoring the rate of hydrolyzing adenosine into inosine spectrophotometri...

J Med Chem 51: 694-8 (2008)


Article DOI: 10.1021/jm700931t
BindingDB Entry DOI: 10.7270/Q20R9MP1
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))		BDBM21956
PNG
(7-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxym...)
Show SMILES Nc1n[nH]c(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c12 |r|
Show InChI InChI=1S/C10H13N5O5/c11-8-5-4(9(19)14-13-8)12-2-15(5)10-7(18)6(17)3(1-16)20-10/h2-3,6-7,10,16-18H,1H2,(H2,11,13)(H,14,19)/t3-,6-,7-,10-/m1/s1
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 5.14E+4 -24.5n/an/an/an/an/a7.025



University of Maryland Baltimore County



Assay Description
The target compounds were screened against calf intestine ADA in vitro by monitoring the rate of hydrolyzing adenosine into inosine spectrophotometri...

J Med Chem 51: 694-8 (2008)


Article DOI: 10.1021/jm700931t
BindingDB Entry DOI: 10.7270/Q20R9MP1
More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))		BDBM21954
PNG
(7-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)o...)
Show SMILES Nc1n[nH]c(=O)c2ncn([C@H]3C[C@H](O)[C@@H](CO)O3)c12 |r|
Show InChI InChI=1S/C10H13N5O4/c11-9-8-7(10(18)14-13-9)12-3-15(8)6-1-4(17)5(2-16)19-6/h3-6,16-17H,1-2H2,(H2,11,13)(H,14,18)/t4-,5+,6+/m0/s1
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 5.20E+4 -24.5n/an/an/an/an/a7.025



University of Maryland Baltimore County



Assay Description
The target compounds were screened against calf intestine ADA in vitro by monitoring the rate of hydrolyzing adenosine into inosine spectrophotometri...

J Med Chem 51: 694-8 (2008)


Article DOI: 10.1021/jm700931t
BindingDB Entry DOI: 10.7270/Q20R9MP1
More data for this
Ligand-Target Pair
Tubulin beta chain


(Sus scrofa)		BDBM50012278
PNG
((2ALPHA,2''BETA,3BETA,4ALPHA,5BETA)-VINCALEUKOBLAS...)
Show SMILES CC[C@]1(O)C[C@@H]2CN(C1)CCc1c([nH]c3ccccc13)[C@@](C2)(C(=O)OC)c1cc2c(cc1OC)N(C)[C@@H]1[C@]22CCN3CC=C[C@](CC)([C@@H]23)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC |r,c:48|
Show InChI InChI=1S/C46H58N4O9/c1-8-42(54)23-28-24-45(40(52)57-6,36-30(15-19-49(25-28)26-42)29-13-10-11-14-33(29)47-36)32-21-31-34(22-35(32)56-5)48(4)38-44(31)17-20-50-18-12-16-43(9-2,37(44)50)39(59-27(3)51)46(38,55)41(53)58-7/h10-14,16,21-22,28,37-39,47,54-55H,8-9,15,17-20,23-26H2,1-7H3/t28-,37-,38+,39+,42-,43+,44+,45-,46-/m0/s1
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n/an/a 130n/an/an/an/an/an/a



Westphalian Wilhelms-University

Curated by ChEMBL


Assay Description
In vitro inhibition of maximum porcine tubulin assembly rate after 20 min at 37 degrees C

J Med Chem 46: 3382-94 (2003)


Article DOI: 10.1021/jm0307685
BindingDB Entry DOI: 10.7270/Q2VT1VVK
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Tubulin beta chain


(Sus scrofa)		BDBM50474288
PNG
(CHEMBL112192)
Show SMILES [#6]-[#8]-c1ccc(\[#6]=[#6]-2\c3ccccc3-[#6](=O)-c3ccccc-23)c(-[#8]-[#6])c1-[#8]
Show InChI InChI=1S/C23H18O4/c1-26-20-12-11-14(23(27-2)22(20)25)13-19-15-7-3-5-9-17(15)21(24)18-10-6-4-8-16(18)19/h3-13,25H,1-2H3
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n/an/a 220n/an/an/an/an/an/a



Westphalian Wilhelms-University

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration required to displace [3H]colchicine from its binding site on tubulin

J Med Chem 46: 3382-94 (2003)


Article DOI: 10.1021/jm0307685
BindingDB Entry DOI: 10.7270/Q2VT1VVK
More data for this
Ligand-Target Pair
Tubulin beta chain


(Sus scrofa)		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 350n/an/an/an/an/an/a



Westphalian Wilhelms-University

Curated by ChEMBL


Assay Description
In vitro inhibition of maximum porcine tubulin assembly rate after 20 min at 37 degrees C

J Med Chem 46: 3382-94 (2003)


Article DOI: 10.1021/jm0307685
BindingDB Entry DOI: 10.7270/Q2VT1VVK
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Tubulin beta chain


(Sus scrofa)		BDBM50474300
PNG
(CHEMBL116173)
Show SMILES [#6]-[#8]-c1ccc(\[#6]=[#6]-2\c3ccccc3-[#6](=O)-c3ccccc-23)cc1-[#8]
Show InChI InChI=1S/C22H16O3/c1-25-21-11-10-14(13-20(21)23)12-19-15-6-2-4-8-17(15)22(24)18-9-5-3-7-16(18)19/h2-13,23H,1H3
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n/an/a 370n/an/an/an/an/an/a



Westphalian Wilhelms-University

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration required to displace [3H]colchicine from its binding site on Tubulin

J Med Chem 46: 3382-94 (2003)


Article DOI: 10.1021/jm0307685
BindingDB Entry DOI: 10.7270/Q2VT1VVK
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Tubulin beta-2B chain


(Bos taurus)		BDBM50107672
PNG
((3-Fluoro-phenyl)-(5-methoxy-1H-indol-2-yl)-methan...)
Show SMILES COc1ccc2[nH]c(cc2c1)C(=O)c1cccc(F)c1
Show InChI InChI=1S/C16H12FNO2/c1-20-13-5-6-14-11(8-13)9-15(18-14)16(19)10-3-2-4-12(17)7-10/h2-9,18H,1H3
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n/an/a 390n/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization.

J Med Chem 44: 4535-53 (2001)


BindingDB Entry DOI: 10.7270/Q2BZ65CN
More data for this
Ligand-Target Pair
Tubulin beta chain


(Sus scrofa)		BDBM50474288
PNG
(CHEMBL112192)
Show SMILES [#6]-[#8]-c1ccc(\[#6]=[#6]-2\c3ccccc3-[#6](=O)-c3ccccc-23)c(-[#8]-[#6])c1-[#8]
Show InChI InChI=1S/C23H18O4/c1-26-20-12-11-14(23(27-2)22(20)25)13-19-15-7-3-5-9-17(15)21(24)18-10-6-4-8-16(18)19/h3-13,25H,1-2H3
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Westphalian Wilhelms-University

Curated by ChEMBL


Assay Description
In vitro inhibition of maximum porcine tubulin assembly rate after 20 min at 37 degrees C

J Med Chem 46: 3382-94 (2003)


Article DOI: 10.1021/jm0307685
BindingDB Entry DOI: 10.7270/Q2VT1VVK
More data for this
Ligand-Target Pair
Tubulin beta chain


(Sus scrofa)		BDBM50474290
PNG
(CHEMBL115499)
Show SMILES [#8]-c1c(Br)cc(\[#6]=[#6]-2\c3ccccc3-[#6](=O)-c3ccccc-23)cc1Br
Show InChI InChI=1S/C21H12Br2O2/c22-18-10-12(11-19(23)21(18)25)9-17-13-5-1-3-7-15(13)20(24)16-8-4-2-6-14(16)17/h1-11,25H
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Westphalian Wilhelms-University

Curated by ChEMBL


Assay Description
In vitro inhibition of maximum porcine tubulin assembly rate after 20 min at 37 degrees C

J Med Chem 46: 3382-94 (2003)


Article DOI: 10.1021/jm0307685
BindingDB Entry DOI: 10.7270/Q2VT1VVK
More data for this
Ligand-Target Pair
Tubulin beta-2B chain


(Bos taurus)		BDBM50107658
PNG
((5-Methoxy-1H-indol-2-yl)-phenyl-methanone | (5-me...)
Show SMILES COc1ccc2[nH]c(cc2c1)C(=O)c1ccccc1
Show InChI InChI=1S/C16H13NO2/c1-19-13-7-8-14-12(9-13)10-15(17-14)16(18)11-5-3-2-4-6-11/h2-10,17H,1H3
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n/an/a 530n/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization.

J Med Chem 44: 4535-53 (2001)


BindingDB Entry DOI: 10.7270/Q2BZ65CN
More data for this
Ligand-Target Pair
Tubulin beta-2B chain


(Bos taurus)		BDBM50107678
PNG
((5-Methoxy-1H-indol-2-yl)-(3-methoxy-phenyl)-metha...)
Show SMILES COc1cccc(c1)C(=O)c1cc2cc(OC)ccc2[nH]1
Show InChI InChI=1S/C17H15NO3/c1-20-13-5-3-4-11(8-13)17(19)16-10-12-9-14(21-2)6-7-15(12)18-16/h3-10,18H,1-2H3
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n/an/a 530n/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization.

J Med Chem 44: 4535-53 (2001)


BindingDB Entry DOI: 10.7270/Q2BZ65CN
More data for this
Ligand-Target Pair
Tubulin beta chain


(Sus scrofa)		BDBM50474293
PNG
(CHEMBL324797)
Show SMILES [#6]-[#8]-c1cc(\[#6]=[#6]-2\c3ccccc3-[#6](=O)-c3ccccc-23)ccc1-[#8]
Show InChI InChI=1S/C22H16O3/c1-25-21-13-14(10-11-20(21)23)12-19-15-6-2-4-8-17(15)22(24)18-9-5-3-7-16(18)19/h2-13,23H,1H3
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Westphalian Wilhelms-University

Curated by ChEMBL


Assay Description
In vitro inhibition of maximum porcine tubulin assembly rate after 20 min at 37 degrees C

J Med Chem 46: 3382-94 (2003)


Article DOI: 10.1021/jm0307685
BindingDB Entry DOI: 10.7270/Q2VT1VVK
More data for this
Ligand-Target Pair
Tubulin beta chain


(Sus scrofa)		BDBM50474298
PNG
(CHEMBL321632)
Show SMILES [#6]-[#8]-c1cc(\[#6]=[#6]-2\c3ccccc3-[#6](=O)-c3ccccc-23)cc(-[#8]-[#6])c1-[#8]
Show InChI InChI=1S/C23H18O4/c1-26-20-12-14(13-21(27-2)23(20)25)11-19-15-7-3-5-9-17(15)22(24)18-10-6-4-8-16(18)19/h3-13,25H,1-2H3
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Westphalian Wilhelms-University

Curated by ChEMBL


Assay Description
In vitro inhibition of maximum porcine tubulin assembly rate after 20 min at 37 degrees C

J Med Chem 46: 3382-94 (2003)


Article DOI: 10.1021/jm0307685
BindingDB Entry DOI: 10.7270/Q2VT1VVK
More data for this
Ligand-Target Pair
Tubulin beta-2B chain


(Bos taurus)		BDBM50107677
PNG
((3-Hydroxy-phenyl)-(5-methoxy-1H-indol-2-yl)-metha...)
Show SMILES COc1ccc2[nH]c(cc2c1)C(=O)c1cccc(O)c1
Show InChI InChI=1S/C16H13NO3/c1-20-13-5-6-14-11(8-13)9-15(17-14)16(19)10-3-2-4-12(18)7-10/h2-9,17-18H,1H3
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n/an/a 660n/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization.

J Med Chem 44: 4535-53 (2001)


BindingDB Entry DOI: 10.7270/Q2BZ65CN
More data for this
Ligand-Target Pair
Tubulin beta chain


(Sus scrofa)		BDBM50474300
PNG
(CHEMBL116173)
Show SMILES [#6]-[#8]-c1ccc(\[#6]=[#6]-2\c3ccccc3-[#6](=O)-c3ccccc-23)cc1-[#8]
Show InChI InChI=1S/C22H16O3/c1-25-21-11-10-14(13-20(21)23)12-19-15-6-2-4-8-17(15)22(24)18-9-5-3-7-16(18)19/h2-13,23H,1H3
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Westphalian Wilhelms-University

Curated by ChEMBL


Assay Description
In vitro inhibition of maximum porcine tubulin assembly rate after 20 min at 37 degrees C

J Med Chem 46: 3382-94 (2003)


Article DOI: 10.1021/jm0307685
BindingDB Entry DOI: 10.7270/Q2VT1VVK
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Tubulin beta chain


(Sus scrofa)		BDBM50474308
PNG
(CHEMBL112385)
Show SMILES [#6]-[#8]-c1ccc(\[#6]=[#6]-2/c3ccccc3-[#6](=O)-c3ccccc-23)cc1
Show InChI InChI=1S/C22H16O2/c1-24-16-12-10-15(11-13-16)14-21-17-6-2-4-8-19(17)22(23)20-9-5-3-7-18(20)21/h2-14H,1H3
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Westphalian Wilhelms-University

Curated by ChEMBL


Assay Description
In vitro inhibition of maximum porcine tubulin assembly rate after 20 min at 37 degrees C

J Med Chem 46: 3382-94 (2003)


Article DOI: 10.1021/jm0307685
BindingDB Entry DOI: 10.7270/Q2VT1VVK
More data for this
Ligand-Target Pair
Tubulin beta chain


(Sus scrofa)		BDBM97233
PNG
(CHEMBL9514 | MLS001164242 | N-[6-(2-thenoyl)-1H-be...)
Show SMILES COC(=O)Nc1nc2ccc(cc2[nH]1)C(=O)c1cccs1
Show InChI InChI=1S/C14H11N3O3S/c1-20-14(19)17-13-15-9-5-4-8(7-10(9)16-13)12(18)11-3-2-6-21-11/h2-7H,1H3,(H2,15,16,17,19)
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Westphalian Wilhelms-University

Curated by ChEMBL


Assay Description
In vitro inhibition of maximum porcine tubulin assembly rate after 20 min at 37 degrees C

J Med Chem 46: 3382-94 (2003)


Article DOI: 10.1021/jm0307685
BindingDB Entry DOI: 10.7270/Q2VT1VVK
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Tubulin beta-2B chain


(Bos taurus)		BDBM50107656
PNG
((3,5-Dimethoxy-phenyl)-(5-methoxy-1H-indol-2-yl)-m...)
Show SMILES COc1ccc2[nH]c(cc2c1)C(=O)c1cc(OC)cc(OC)c1
Show InChI InChI=1S/C18H17NO4/c1-21-13-4-5-16-11(6-13)9-17(19-16)18(20)12-7-14(22-2)10-15(8-12)23-3/h4-10,19H,1-3H3
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n/an/a 810n/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization.

J Med Chem 44: 4535-53 (2001)


BindingDB Entry DOI: 10.7270/Q2BZ65CN
More data for this
Ligand-Target Pair
Tubulin beta-2B chain


(Bos taurus)		BDBM50107676
PNG
((3,4-Dimethoxy-phenyl)-(5-methoxy-1H-indol-2-yl)-m...)
Show SMILES COc1ccc2[nH]c(cc2c1)C(=O)c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C18H17NO4/c1-21-13-5-6-14-12(8-13)9-15(19-14)18(20)11-4-7-16(22-2)17(10-11)23-3/h4-10,19H,1-3H3
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n/an/a 810n/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization.

J Med Chem 44: 4535-53 (2001)


BindingDB Entry DOI: 10.7270/Q2BZ65CN
More data for this
Ligand-Target Pair
Tubulin beta-2B chain


(Bos taurus)		BDBM50107664
PNG
((5-Methoxy-1H-indol-2-yl)-(3-nitro-phenyl)-methano...)
Show SMILES COc1ccc2[nH]c(cc2c1)C(=O)c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C16H12N2O4/c1-22-13-5-6-14-11(8-13)9-15(17-14)16(19)10-3-2-4-12(7-10)18(20)21/h2-9,17H,1H3
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n/an/a 850n/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization.

J Med Chem 44: 4535-53 (2001)


BindingDB Entry DOI: 10.7270/Q2BZ65CN
More data for this
Ligand-Target Pair
Tubulin beta-2B chain


(Bos taurus)		BDBM50107674
PNG
(Butyric acid 3-(5-methoxy-1H-indole-2-carbonyl)-ph...)
Show SMILES CCCC(=O)Oc1cccc(c1)C(=O)c1cc2cc(OC)ccc2[nH]1
Show InChI InChI=1S/C20H19NO4/c1-3-5-19(22)25-16-7-4-6-13(10-16)20(23)18-12-14-11-15(24-2)8-9-17(14)21-18/h4,6-12,21H,3,5H2,1-2H3
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n/an/a 850n/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization.

J Med Chem 44: 4535-53 (2001)


BindingDB Entry DOI: 10.7270/Q2BZ65CN
More data for this
Ligand-Target Pair
Tubulin beta-2B chain


(Bos taurus)		BDBM50107693
PNG
((5-Methyl-1H-indol-2-yl)-(3,4,5-trimethoxy-phenyl)...)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)c1cc2cc(C)ccc2[nH]1
Show InChI InChI=1S/C19H19NO4/c1-11-5-6-14-12(7-11)8-15(20-14)18(21)13-9-16(22-2)19(24-4)17(10-13)23-3/h5-10,20H,1-4H3
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n/an/a 860n/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization.

J Med Chem 44: 4535-53 (2001)


BindingDB Entry DOI: 10.7270/Q2BZ65CN
More data for this
Ligand-Target Pair
Tubulin beta chain


(Sus scrofa)		BDBM50474286
PNG
(CHEMBL419387)
Show SMILES [#6]-c1cc(\[#6]=[#6]-2\c3ccccc3-[#6](=O)-c3ccccc-23)cc(-[#6])c1-[#8]
Show InChI InChI=1S/C23H18O2/c1-14-11-16(12-15(2)22(14)24)13-21-17-7-3-5-9-19(17)23(25)20-10-6-4-8-18(20)21/h3-13,24H,1-2H3
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n/an/a 910n/an/an/an/an/an/a



Westphalian Wilhelms-University

Curated by ChEMBL


Assay Description
In vitro inhibition of maximum porcine tubulin assembly rate after 20 min at 37 degrees C

J Med Chem 46: 3382-94 (2003)


Article DOI: 10.1021/jm0307685
BindingDB Entry DOI: 10.7270/Q2VT1VVK
More data for this
Ligand-Target Pair
Tubulin beta chain


(Sus scrofa)		BDBM50474287
PNG
(CHEMBL115488)
Show SMILES [#6]-[#8]-c1cccc(\[#6]=[#6]-2\c3ccccc3-[#6](=O)-c3ccccc-23)c1-[#8]
Show InChI InChI=1S/C22H16O3/c1-25-20-12-6-7-14(21(20)23)13-19-15-8-2-4-10-17(15)22(24)18-11-5-3-9-16(18)19/h2-13,23H,1H3
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n/an/a 910n/an/an/an/an/an/a



Westphalian Wilhelms-University

Curated by ChEMBL


Assay Description
In vitro inhibition of maximum porcine tubulin assembly rate after 20 min at 37 degrees C

J Med Chem 46: 3382-94 (2003)


Article DOI: 10.1021/jm0307685
BindingDB Entry DOI: 10.7270/Q2VT1VVK
More data for this
Ligand-Target Pair
Tubulin beta-2B chain


(Bos taurus)		BDBM50107651
PNG
((5-Methoxy-1H-indol-2-yl)-(3,4,5-trimethoxy-phenyl...)
Show SMILES COc1ccc2[nH]c(cc2c1)C(=O)c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C19H19NO5/c1-22-13-5-6-14-11(7-13)8-15(20-14)18(21)12-9-16(23-2)19(25-4)17(10-12)24-3/h5-10,20H,1-4H3
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n/an/a 990n/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization.

J Med Chem 44: 4535-53 (2001)


BindingDB Entry DOI: 10.7270/Q2BZ65CN
More data for this
Ligand-Target Pair
Tubulin beta-2B chain


(Bos taurus)		BDBM50107662
PNG
((3-Amino-phenyl)-(5-methoxy-1H-indol-2-yl)-methano...)
Show SMILES COc1ccc2[nH]c(cc2c1)C(=O)c1cccc(N)c1
Show InChI InChI=1S/C16H14N2O2/c1-20-13-5-6-14-11(8-13)9-15(18-14)16(19)10-3-2-4-12(17)7-10/h2-9,18H,17H2,1H3
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n/an/a 990n/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization.

J Med Chem 44: 4535-53 (2001)


BindingDB Entry DOI: 10.7270/Q2BZ65CN
More data for this
Ligand-Target Pair
Tubulin beta-2B chain


(Bos taurus)		BDBM50107663
PNG
((2-Fluoro-phenyl)-(5-methoxy-1H-indol-2-yl)-methan...)
Show SMILES COc1ccc2[nH]c(cc2c1)C(=O)c1ccccc1F
Show InChI InChI=1S/C16H12FNO2/c1-20-11-6-7-14-10(8-11)9-15(18-14)16(19)12-4-2-3-5-13(12)17/h2-9,18H,1H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization.

J Med Chem 44: 4535-53 (2001)


BindingDB Entry DOI: 10.7270/Q2BZ65CN
More data for this
Ligand-Target Pair
Tubulin beta chain


(Sus scrofa)		BDBM50469124
PNG
(CHEMBL113332)
Show SMILES [#6]-[#8]-c1ccc(\[#6]=[#6]-2\c3ccccc3-[#6](=O)-c3ccccc-23)c(-[#8])c1
Show InChI InChI=1S/C22H16O3/c1-25-15-11-10-14(21(23)13-15)12-20-16-6-2-4-8-18(16)22(24)19-9-5-3-7-17(19)20/h2-13,23H,1H3
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n/an/a 1.20E+3n/an/an/an/an/an/a



Westphalian Wilhelms-University

Curated by ChEMBL


Assay Description
In vitro inhibition of maximum porcine tubulin assembly rate after 20 min at 37 degrees C

J Med Chem 46: 3382-94 (2003)


Article DOI: 10.1021/jm0307685
BindingDB Entry DOI: 10.7270/Q2VT1VVK
More data for this
Ligand-Target Pair
Tubulin beta chain


(Sus scrofa)		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 1.26E+3n/an/an/an/an/an/a



Westphalian Wilhelms-University

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration required to displace [3H]colchicine from its binding site on tubulin

J Med Chem 46: 3382-94 (2003)


Article DOI: 10.1021/jm0307685
BindingDB Entry DOI: 10.7270/Q2VT1VVK
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Tubulin beta-2B chain


(Bos taurus)		BDBM50107670
PNG
((5-Methoxy-1H-indol-2-yl)-(2-methoxy-phenyl)-metha...)
Show SMILES COc1ccc2[nH]c(cc2c1)C(=O)c1ccccc1OC
Show InChI InChI=1S/C17H15NO3/c1-20-12-7-8-14-11(9-12)10-15(18-14)17(19)13-5-3-4-6-16(13)21-2/h3-10,18H,1-2H3
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n/an/a 1.29E+3n/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization.

J Med Chem 44: 4535-53 (2001)


BindingDB Entry DOI: 10.7270/Q2BZ65CN
More data for this
Ligand-Target Pair
Tubulin beta chain


(Sus scrofa)		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 1.40E+3n/an/an/an/an/an/a



Westphalian Wilhelms-University

Curated by ChEMBL


Assay Description
In vitro inhibition of maximum porcine tubulin assembly rate after 20 min at 37 degrees C

J Med Chem 46: 3382-94 (2003)


Article DOI: 10.1021/jm0307685
BindingDB Entry DOI: 10.7270/Q2VT1VVK
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Tubulin beta-2B chain


(Bos taurus)		BDBM50107671
PNG
((5-Methoxy-1H-indol-2-yl)-(3-trifluoromethyl-pheny...)
Show SMILES COc1ccc2[nH]c(cc2c1)C(=O)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C17H12F3NO2/c1-23-13-5-6-14-11(8-13)9-15(21-14)16(22)10-3-2-4-12(7-10)17(18,19)20/h2-9,21H,1H3
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n/an/a 1.50E+3n/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization.

J Med Chem 44: 4535-53 (2001)


BindingDB Entry DOI: 10.7270/Q2BZ65CN
More data for this
Ligand-Target Pair
Tubulin beta-2B chain


(Bos taurus)		BDBM50107680
PNG
((5-Methoxy-1H-indol-2-yl)-p-tolyl-methanone | CHEM...)
Show SMILES COc1ccc2[nH]c(cc2c1)C(=O)c1ccc(C)cc1
Show InChI InChI=1S/C17H15NO2/c1-11-3-5-12(6-4-11)17(19)16-10-13-9-14(20-2)7-8-15(13)18-16/h3-10,18H,1-2H3
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n/an/a 1.50E+3n/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization.

J Med Chem 44: 4535-53 (2001)


BindingDB Entry DOI: 10.7270/Q2BZ65CN
More data for this
Ligand-Target Pair
Tubulin beta-2B chain


(Bos taurus)		BDBM50107682
PNG
((5-Methoxy-1H-indol-2-yl)-(3-trifluoromethoxy-phen...)
Show SMILES COc1ccc2[nH]c(cc2c1)C(=O)c1cccc(OC(F)(F)F)c1
Show InChI InChI=1S/C17H12F3NO3/c1-23-12-5-6-14-11(8-12)9-15(21-14)16(22)10-3-2-4-13(7-10)24-17(18,19)20/h2-9,21H,1H3
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n/an/a 1.70E+3n/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization.

J Med Chem 44: 4535-53 (2001)


BindingDB Entry DOI: 10.7270/Q2BZ65CN
More data for this
Ligand-Target Pair
Tubulin beta chain


(Sus scrofa)		BDBM50474291
PNG
(CHEMBL326388)
Show SMILES [#6]-[#8]-c1ccc(\[#6]=[#6]-2\c3ccccc3-[#6](=O)-c3ccccc-23)cc1-[#8]-[#6]
Show InChI InChI=1S/C23H18O3/c1-25-21-12-11-15(14-22(21)26-2)13-20-16-7-3-5-9-18(16)23(24)19-10-6-4-8-17(19)20/h3-14H,1-2H3
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n/an/a 1.70E+3n/an/an/an/an/an/a



Westphalian Wilhelms-University

Curated by ChEMBL


Assay Description
In vitro inhibition of maximum porcine tubulin assembly rate after 20 min at 37 degrees C

J Med Chem 46: 3382-94 (2003)


Article DOI: 10.1021/jm0307685
BindingDB Entry DOI: 10.7270/Q2VT1VVK
More data for this
Ligand-Target Pair
Tubulin beta chain


(Sus scrofa)		BDBM50474294
PNG
(CHEMBL115360)
Show SMILES [#8]-c1ccc(\[#6]=[#6]-2/c3ccccc3-[#6](=O)-c3ccccc-23)cc1-[#8]
Show InChI InChI=1S/C21H14O3/c22-19-10-9-13(12-20(19)23)11-18-14-5-1-3-7-16(14)21(24)17-8-4-2-6-15(17)18/h1-12,22-23H
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n/an/a 1.80E+3n/an/an/an/an/an/a



Westphalian Wilhelms-University

Curated by ChEMBL


Assay Description
In vitro inhibition of maximum porcine tubulin assembly rate after 20 min at 37 degrees C

J Med Chem 46: 3382-94 (2003)


Article DOI: 10.1021/jm0307685
BindingDB Entry DOI: 10.7270/Q2VT1VVK
More data for this
Ligand-Target Pair
Tubulin beta-2B chain


(Bos taurus)		BDBM50107673
PNG
((3-Difluoromethylsulfanyl-phenyl)-(5-methoxy-1H-in...)
Show SMILES COc1ccc2[nH]c(cc2c1)C(=O)c1cccc(SC(F)F)c1
Show InChI InChI=1S/C17H13F2NO2S/c1-22-12-5-6-14-11(7-12)9-15(20-14)16(21)10-3-2-4-13(8-10)23-17(18)19/h2-9,17,20H,1H3
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n/an/a 2.10E+3n/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization

J Med Chem 44: 4535-53 (2001)


BindingDB Entry DOI: 10.7270/Q2BZ65CN
More data for this
Ligand-Target Pair
Tubulin beta chain


(Sus scrofa)		BDBM50474292
PNG
(CHEMBL114642)
Show SMILES COc1ccc(CC2c3ccccc3C(=O)c3ccccc23)cc1O
Show InChI InChI=1S/C22H18O3/c1-25-21-11-10-14(13-20(21)23)12-19-15-6-2-4-8-17(15)22(24)18-9-5-3-7-16(18)19/h2-11,13,19,23H,12H2,1H3
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n/an/a 2.30E+3n/an/an/an/an/an/a



Westphalian Wilhelms-University

Curated by ChEMBL


Assay Description
In vitro inhibition of maximum porcine tubulin assembly rate after 20 min at 37 degrees C

J Med Chem 46: 3382-94 (2003)


Article DOI: 10.1021/jm0307685
BindingDB Entry DOI: 10.7270/Q2VT1VVK
More data for this
Ligand-Target Pair
Tubulin beta chain


(Sus scrofa)		BDBM50474307
PNG
(CHEMBL114651)
Show SMILES [#8]-c1ccc(\[#6]=[#6]-2\c3ccccc3-[#6](=O)-c3ccccc-23)cc1
Show InChI InChI=1S/C21H14O2/c22-15-11-9-14(10-12-15)13-20-16-5-1-3-7-18(16)21(23)19-8-4-2-6-17(19)20/h1-13,22H
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n/an/a 2.50E+3n/an/an/an/an/an/a



Westphalian Wilhelms-University

Curated by ChEMBL


Assay Description
In vitro inhibition of maximum porcine tubulin assembly rate after 20 min at 37 degrees C

J Med Chem 46: 3382-94 (2003)


Article DOI: 10.1021/jm0307685
BindingDB Entry DOI: 10.7270/Q2VT1VVK
More data for this
Ligand-Target Pair
Tubulin beta-2B chain


(Bos taurus)		BDBM50107661
PNG
((3,4-Dichloro-phenyl)-(5-methoxy-1H-indol-2-yl)-me...)
Show SMILES COc1ccc2[nH]c(cc2c1)C(=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H11Cl2NO2/c1-21-11-3-5-14-10(6-11)8-15(19-14)16(20)9-2-4-12(17)13(18)7-9/h2-8,19H,1H3
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n/an/a 2.50E+3n/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization.

J Med Chem 44: 4535-53 (2001)


BindingDB Entry DOI: 10.7270/Q2BZ65CN
More data for this
Ligand-Target Pair
Tubulin beta chain


(Sus scrofa)		BDBM50474306
PNG
(CHEMBL326114)
Show SMILES COc1ccc(CC2c3ccccc3C(=O)c3ccccc23)cc1
Show InChI InChI=1S/C22H18O2/c1-24-16-12-10-15(11-13-16)14-21-17-6-2-4-8-19(17)22(23)20-9-5-3-7-18(20)21/h2-13,21H,14H2,1H3
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n/an/a 2.60E+3n/an/an/an/an/an/a



Westphalian Wilhelms-University

Curated by ChEMBL


Assay Description
In vitro inhibition of maximum porcine tubulin assembly rate after 20 min at 37 degrees C

J Med Chem 46: 3382-94 (2003)


Article DOI: 10.1021/jm0307685
BindingDB Entry DOI: 10.7270/Q2VT1VVK
More data for this
Ligand-Target Pair
Tubulin beta-2B chain


(Bos taurus)		BDBM50107653
PNG
((2-Methoxy-phenyl)-(5-methyl-1H-indol-2-yl)-methan...)
Show SMILES COc1ccccc1C(=O)c1cc2cc(C)ccc2[nH]1
Show InChI InChI=1S/C17H15NO2/c1-11-7-8-14-12(9-11)10-15(18-14)17(19)13-5-3-4-6-16(13)20-2/h3-10,18H,1-2H3
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n/an/a 3.50E+3n/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization.

J Med Chem 44: 4535-53 (2001)


BindingDB Entry DOI: 10.7270/Q2BZ65CN
More data for this
Ligand-Target Pair
Tubulin beta-2B chain


(Bos taurus)		BDBM50107652
PNG
((4-Bromo-phenyl)-(5-methoxy-1H-indol-2-yl)-methano...)
Show SMILES COc1ccc2[nH]c(cc2c1)C(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C16H12BrNO2/c1-20-13-6-7-14-11(8-13)9-15(18-14)16(19)10-2-4-12(17)5-3-10/h2-9,18H,1H3
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n/an/a 4.30E+3n/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization.

J Med Chem 44: 4535-53 (2001)


BindingDB Entry DOI: 10.7270/Q2BZ65CN
More data for this
Ligand-Target Pair
Tubulin beta chain


(Sus scrofa)		BDBM50474299
PNG
(CHEMBL267340)
Show SMILES O=[#6]-1-c2ccccc2\[#6](=[#6]/c2ccccc2)-c2ccccc-12
Show InChI InChI=1S/C21H14O/c22-21-18-12-6-4-10-16(18)20(14-15-8-2-1-3-9-15)17-11-5-7-13-19(17)21/h1-14H
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n/an/a 4.40E+3n/an/an/an/an/an/a



Westphalian Wilhelms-University

Curated by ChEMBL


Assay Description
In vitro inhibition of maximum porcine tubulin assembly rate after 20 min at 37 degrees C

J Med Chem 46: 3382-94 (2003)


Article DOI: 10.1021/jm0307685
BindingDB Entry DOI: 10.7270/Q2VT1VVK
More data for this
Ligand-Target Pair
Tubulin beta-2B chain


(Bos taurus)		BDBM50107695
PNG
((5-Methoxy-1H-indol-2-yl)-o-tolyl-methanone | CHEM...)
Show SMILES COc1ccc2[nH]c(cc2c1)C(=O)c1ccccc1C
Show InChI InChI=1S/C17H15NO2/c1-11-5-3-4-6-14(11)17(19)16-10-12-9-13(20-2)7-8-15(12)18-16/h3-10,18H,1-2H3
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n/an/a 4.80E+3n/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization.

J Med Chem 44: 4535-53 (2001)


BindingDB Entry DOI: 10.7270/Q2BZ65CN
More data for this
Ligand-Target Pair
Tubulin beta-2B chain


(Bos taurus)		BDBM50107654
PNG
((4-Chloro-phenyl)-(5-methoxy-1H-indol-2-yl)-methan...)
Show SMILES COc1ccc2[nH]c(cc2c1)C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C16H12ClNO2/c1-20-13-6-7-14-11(8-13)9-15(18-14)16(19)10-2-4-12(17)5-3-10/h2-9,18H,1H3
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n/an/a 5.00E+3n/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization.

J Med Chem 44: 4535-53 (2001)


BindingDB Entry DOI: 10.7270/Q2BZ65CN
More data for this
Ligand-Target Pair
Tubulin beta-2B chain


(Bos taurus)		BDBM50107667
PNG
((2,5-Dimethyl-phenyl)-(5-methoxy-1H-indol-2-yl)-me...)
Show SMILES COc1ccc2[nH]c(cc2c1)C(=O)c1cc(C)ccc1C
Show InChI InChI=1S/C18H17NO2/c1-11-4-5-12(2)15(8-11)18(20)17-10-13-9-14(21-3)6-7-16(13)19-17/h4-10,19H,1-3H3
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n/an/a 5.20E+3n/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Inhibition of tubulin polymerization.

J Med Chem 44: 4535-53 (2001)


BindingDB Entry DOI: 10.7270/Q2BZ65CN
More data for this
Ligand-Target Pair
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