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Compile Data Set for Download or QSAR

Found 53 hits with Last Name = 'camacho gomez' and Initial = 'ja'   
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 receptor A2a


(Homo sapiens (Human))
BDBM128311
PNG
(US8796284, 93)
Show SMILES Nc1nc(nc(-c2nccs2)c1Br)-c1nccs1
Show InChI InChI=1S/C10H6BrN5S2/c11-5-6(9-13-1-3-17-9)15-8(16-7(5)12)10-14-2-4-18-10/h1-4H,(H2,12,15,16)
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US Patent
1 -51.4n/an/an/an/an/an/a25



Palobiofarma, S.L.

US Patent


Assay Description
Competition assays were carried out by incubation of membranes from hA1 receptors transfected to CHO cells, [3H]-DPCPX as radioligand, buffer (HEPES ...


US Patent US8796284 (2014)


BindingDB Entry DOI: 10.7270/Q2WM1C2Q
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM128297
PNG
(US8796284, 4)
Show SMILES Nc1nc(nc(NC2CCCC2)c1Br)-n1cccn1
Show InChI InChI=1S/C12H15BrN6/c13-9-10(14)17-12(19-7-3-6-15-19)18-11(9)16-8-4-1-2-5-8/h3,6-8H,1-2,4-5H2,(H3,14,16,17,18)
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6 -46.9n/an/an/an/an/an/a25



Palobiofarma, S.L.

US Patent


Assay Description
Competition assays were carried out by incubation of membranes from hA1 receptors transfected to CHO cells, [3H]-DPCPX as radioligand, buffer (HEPES ...


US Patent US8796284 (2014)


BindingDB Entry DOI: 10.7270/Q2WM1C2Q
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM128310
PNG
(US8796284, 48)
Show SMILES Nc1nc(nc(c1C#N)-n1cccn1)-n1cccn1
Show InChI InChI=1S/C11H8N8/c12-7-8-9(13)16-11(19-6-2-4-15-19)17-10(8)18-5-1-3-14-18/h1-6H,(H2,13,16,17)
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7 -46.5n/an/an/an/an/an/a25



Palobiofarma, S.L.

US Patent


Assay Description
Competition assays were carried out by incubation of membranes from hA1 receptors transfected to CHO cells, [3H]-DPCPX as radioligand, buffer (HEPES ...


US Patent US8796284 (2014)


BindingDB Entry DOI: 10.7270/Q2WM1C2Q
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM128307
PNG
(US8796284, 38)
Show SMILES CC(C)Sc1nc(nc(N)c1Br)-n1cccn1
Show InChI InChI=1S/C10H12BrN5S/c1-6(2)17-9-7(11)8(12)14-10(15-9)16-5-3-4-13-16/h3-6H,1-2H3,(H2,12,14,15)
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7 -46.5n/an/an/an/an/an/a25



Palobiofarma, S.L.

US Patent


Assay Description
Competition assays were carried out by incubation of membranes from hA1 receptors transfected to CHO cells, [3H]-DPCPX as radioligand, buffer (HEPES ...


US Patent US8796284 (2014)


BindingDB Entry DOI: 10.7270/Q2WM1C2Q
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM128306
PNG
(US8796284, 36)
Show SMILES CCSc1nc(nc(N)c1Br)-n1cccn1
Show InChI InChI=1S/C9H10BrN5S/c1-2-16-8-6(10)7(11)13-9(14-8)15-5-3-4-12-15/h3-5H,2H2,1H3,(H2,11,13,14)
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8 -46.2n/an/an/an/an/an/a25



Palobiofarma, S.L.

US Patent


Assay Description
Competition assays were carried out by incubation of membranes from hA1 receptors transfected to CHO cells, [3H]-DPCPX as radioligand, buffer (HEPES ...


US Patent US8796284 (2014)


BindingDB Entry DOI: 10.7270/Q2WM1C2Q
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM128305
PNG
(US8796284, 29)
Show SMILES Nc1nc(nc(NCC2CC2)c1Br)-n1cccn1
Show InChI InChI=1S/C11H13BrN6/c12-8-9(13)16-11(18-5-1-4-15-18)17-10(8)14-6-7-2-3-7/h1,4-5,7H,2-3,6H2,(H3,13,14,16,17)
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10 -45.7n/an/an/an/an/an/a25



Palobiofarma, S.L.

US Patent


Assay Description
Competition assays were carried out by incubation of membranes from hA1 receptors transfected to CHO cells, [3H]-DPCPX as radioligand, buffer (HEPES ...


US Patent US8796284 (2014)


BindingDB Entry DOI: 10.7270/Q2WM1C2Q
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM128296
PNG
(US8796284, 3)
Show SMILES Nc1nc(nc(N2CCCC2)c1Br)-n1cccn1
Show InChI InChI=1S/C11H13BrN6/c12-8-9(13)15-11(18-7-3-4-14-18)16-10(8)17-5-1-2-6-17/h3-4,7H,1-2,5-6H2,(H2,13,15,16)
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11 -45.4n/an/an/an/an/an/a25



Palobiofarma, S.L.

US Patent


Assay Description
Competition assays were carried out by incubation of membranes from hA1 receptors transfected to CHO cells, [3H]-DPCPX as radioligand, buffer (HEPES ...


US Patent US8796284 (2014)


BindingDB Entry DOI: 10.7270/Q2WM1C2Q
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM128295
PNG
(US8796284, 1)
Show SMILES Nc1nc(nc(c1Br)-n1cccn1)-n1cccn1
Show InChI InChI=1S/C10H8BrN7/c11-7-8(12)15-10(18-6-2-4-14-18)16-9(7)17-5-1-3-13-17/h1-6H,(H2,12,15,16)
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12 -45.2n/an/an/an/an/an/a25



Palobiofarma, S.L.

US Patent


Assay Description
Competition assays were carried out by incubation of membranes from hA1 receptors transfected to CHO cells, [3H]-DPCPX as radioligand, buffer (HEPES ...


US Patent US8796284 (2014)


BindingDB Entry DOI: 10.7270/Q2WM1C2Q
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM128311
PNG
(US8796284, 93)
Show SMILES Nc1nc(nc(-c2nccs2)c1Br)-c1nccs1
Show InChI InChI=1S/C10H6BrN5S2/c11-5-6(9-13-1-3-17-9)15-8(16-7(5)12)10-14-2-4-18-10/h1-4H,(H2,12,15,16)
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12 -47.0n/an/an/an/an/an/a37



Palobiofarma, S.L.

US Patent


Assay Description
hese assays were performed at adenosine receptors transfected using a cAMP enzymeimmunoassay kit (Amersham Biosciences). CHO-A2A cells were seeded (1...


US Patent US8796284 (2014)


BindingDB Entry DOI: 10.7270/Q2WM1C2Q
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM128308
PNG
(US8796284, 44)
Show SMILES Nc1nc(nc(OCC(F)(F)F)c1Br)-n1cccn1
Show InChI InChI=1S/C9H7BrF3N5O/c10-5-6(14)16-8(18-3-1-2-15-18)17-7(5)19-4-9(11,12)13/h1-3H,4H2,(H2,14,16,17)
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14 -44.8n/an/an/an/an/an/a25



Palobiofarma, S.L.

US Patent


Assay Description
Competition assays were carried out by incubation of membranes from hA1 receptors transfected to CHO cells, [3H]-DPCPX as radioligand, buffer (HEPES ...


US Patent US8796284 (2014)


BindingDB Entry DOI: 10.7270/Q2WM1C2Q
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM128303
PNG
(US8796284, 20)
Show SMILES COC[C@H]1CCCN1c1nc(nc(N)c1Br)-n1cccn1
Show InChI InChI=1S/C13H17BrN6O/c1-21-8-9-4-2-6-19(9)12-10(14)11(15)17-13(18-12)20-7-3-5-16-20/h3,5,7,9H,2,4,6,8H2,1H3,(H2,15,17,18)/t9-/m1/s1
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14 -44.8n/an/an/an/an/an/a25



Palobiofarma, S.L.

US Patent


Assay Description
Competition assays were carried out by incubation of membranes from hA1 receptors transfected to CHO cells, [3H]-DPCPX as radioligand, buffer (HEPES ...


US Patent US8796284 (2014)


BindingDB Entry DOI: 10.7270/Q2WM1C2Q
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM128298
PNG
(US8796284, 5)
Show SMILES Nc1nc(nc(N2CCCCC2)c1Br)-n1cccn1
Show InChI InChI=1S/C12H15BrN6/c13-9-10(14)16-12(19-8-4-5-15-19)17-11(9)18-6-2-1-3-7-18/h4-5,8H,1-3,6-7H2,(H2,14,16,17)
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14 -44.8n/an/an/an/an/an/a25



Palobiofarma, S.L.

US Patent


Assay Description
Competition assays were carried out by incubation of membranes from hA1 receptors transfected to CHO cells, [3H]-DPCPX as radioligand, buffer (HEPES ...


US Patent US8796284 (2014)


BindingDB Entry DOI: 10.7270/Q2WM1C2Q
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM128304
PNG
(US8796284, 24)
Show SMILES CNc1nc(nc(N)c1Br)-n1cccn1
Show InChI InChI=1S/C8H9BrN6/c1-11-7-5(9)6(10)13-8(14-7)15-4-2-3-12-15/h2-4H,1H3,(H3,10,11,13,14)
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16 -44.5n/an/an/an/an/an/a25



Palobiofarma, S.L.

US Patent


Assay Description
Competition assays were carried out by incubation of membranes from hA1 receptors transfected to CHO cells, [3H]-DPCPX as radioligand, buffer (HEPES ...


US Patent US8796284 (2014)


BindingDB Entry DOI: 10.7270/Q2WM1C2Q
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM128309
PNG
(US8796284, 46)
Show SMILES Nc1nc(nc(c1Cl)-n1cccn1)-n1cccn1
Show InChI InChI=1S/C10H8ClN7/c11-7-8(12)15-10(18-6-2-4-14-18)16-9(7)17-5-1-3-13-17/h1-6H,(H2,12,15,16)
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17 -44.3n/an/an/an/an/an/a25



Palobiofarma, S.L.

US Patent


Assay Description
Competition assays were carried out by incubation of membranes from hA1 receptors transfected to CHO cells, [3H]-DPCPX as radioligand, buffer (HEPES ...


US Patent US8796284 (2014)


BindingDB Entry DOI: 10.7270/Q2WM1C2Q
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM128299
PNG
(US8796284, 8)
Show SMILES Nc1nc(nc(NC2CC2)c1Br)-n1cccn1
Show InChI InChI=1S/C10H11BrN6/c11-7-8(12)15-10(17-5-1-4-13-17)16-9(7)14-6-2-3-6/h1,4-6H,2-3H2,(H3,12,14,15,16)
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18 -44.2n/an/an/an/an/an/a25



Palobiofarma, S.L.

US Patent


Assay Description
Competition assays were carried out by incubation of membranes from hA1 receptors transfected to CHO cells, [3H]-DPCPX as radioligand, buffer (HEPES ...


US Patent US8796284 (2014)


BindingDB Entry DOI: 10.7270/Q2WM1C2Q
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM128301
PNG
(US8796284, 10)
Show SMILES Nc1nc(nc(NC2CCC2)c1Br)-n1cccn1
Show InChI InChI=1S/C11H13BrN6/c12-8-9(13)16-11(18-6-2-5-14-18)17-10(8)15-7-3-1-4-7/h2,5-7H,1,3-4H2,(H3,13,15,16,17)
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21 -43.8n/an/an/an/an/an/a25



Palobiofarma, S.L.

US Patent


Assay Description
Competition assays were carried out by incubation of membranes from hA1 receptors transfected to CHO cells, [3H]-DPCPX as radioligand, buffer (HEPES ...


US Patent US8796284 (2014)


BindingDB Entry DOI: 10.7270/Q2WM1C2Q
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM128295
PNG
(US8796284, 1)
Show SMILES Nc1nc(nc(c1Br)-n1cccn1)-n1cccn1
Show InChI InChI=1S/C10H8BrN7/c11-7-8(12)15-10(18-6-2-4-14-18)16-9(7)17-5-1-3-13-17/h1-6H,(H2,12,15,16)
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25 -45.1n/an/an/an/an/an/a37



Palobiofarma, S.L.

US Patent


Assay Description
hese assays were performed at adenosine receptors transfected using a cAMP enzymeimmunoassay kit (Amersham Biosciences). CHO-A2A cells were seeded (1...


US Patent US8796284 (2014)


BindingDB Entry DOI: 10.7270/Q2WM1C2Q
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM128300
PNG
(US8796284, 9)
Show SMILES Nc1nc(nc(N2CCC2)c1Br)-n1cccn1
Show InChI InChI=1S/C10H11BrN6/c11-7-8(12)14-10(17-6-1-3-13-17)15-9(7)16-4-2-5-16/h1,3,6H,2,4-5H2,(H2,12,14,15)
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33 -42.7n/an/an/an/an/an/a25



Palobiofarma, S.L.

US Patent


Assay Description
Competition assays were carried out by incubation of membranes from hA1 receptors transfected to CHO cells, [3H]-DPCPX as radioligand, buffer (HEPES ...


US Patent US8796284 (2014)


BindingDB Entry DOI: 10.7270/Q2WM1C2Q
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM128302
PNG
(US8796284, 13)
Show SMILES CN(C)c1nc(nc(N)c1Br)-n1cccn1
Show InChI InChI=1S/C9H11BrN6/c1-15(2)8-6(10)7(11)13-9(14-8)16-5-3-4-12-16/h3-5H,1-2H3,(H2,11,13,14)
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35 -42.6n/an/an/an/an/an/a25



Palobiofarma, S.L.

US Patent


Assay Description
Competition assays were carried out by incubation of membranes from hA1 receptors transfected to CHO cells, [3H]-DPCPX as radioligand, buffer (HEPES ...


US Patent US8796284 (2014)


BindingDB Entry DOI: 10.7270/Q2WM1C2Q
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM128302
PNG
(US8796284, 13)
Show SMILES CN(C)c1nc(nc(N)c1Br)-n1cccn1
Show InChI InChI=1S/C9H11BrN6/c1-15(2)8-6(10)7(11)13-9(14-8)16-5-3-4-12-16/h3-5H,1-2H3,(H2,11,13,14)
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50 -43.3n/an/an/an/an/an/a37



Palobiofarma, S.L.

US Patent


Assay Description
hese assays were performed at adenosine receptors transfected using a cAMP enzymeimmunoassay kit (Amersham Biosciences). CHO-A2A cells were seeded (1...


US Patent US8796284 (2014)


BindingDB Entry DOI: 10.7270/Q2WM1C2Q
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM128299
PNG
(US8796284, 8)
Show SMILES Nc1nc(nc(NC2CC2)c1Br)-n1cccn1
Show InChI InChI=1S/C10H11BrN6/c11-7-8(12)15-10(17-5-1-4-13-17)16-9(7)14-6-2-3-6/h1,4-6H,2-3H2,(H3,12,14,15,16)
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60 -42.9n/an/an/an/an/an/a37



Palobiofarma, S.L.

US Patent


Assay Description
hese assays were performed at adenosine receptors transfected using a cAMP enzymeimmunoassay kit (Amersham Biosciences). CHO-A2A cells were seeded (1...


US Patent US8796284 (2014)


BindingDB Entry DOI: 10.7270/Q2WM1C2Q
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 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 430n/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)
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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n/an/a 480n/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)
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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n/an/a 630n/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)
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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n/an/a 630n/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)
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 670n/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)
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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n/an/a 760n/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)
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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n/an/a 760n/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)
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 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 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 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 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 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 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 chain


(Sus scrofa)
BDBM50474302
PNG
(CHEMBL327061)
Show SMILES COc1ccc(CC2c3ccccc3C(=O)c3ccccc23)cc1OC(=O)c1ccccc1
Show InChI InChI=1S/C29H22O4/c1-32-26-16-15-19(18-27(26)33-29(31)20-9-3-2-4-10-20)17-25-21-11-5-7-13-23(21)28(30)24-14-8-6-12-22(24)25/h2-16,18,25H,17H2,1H3
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n/an/a>1.00E+4n/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)
BDBM50474289
PNG
(CHEMBL326395)
Show SMILES COc1ccc(CC2c3ccccc3C(=O)c3ccccc23)cc1OC
Show InChI InChI=1S/C23H20O3/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/h3-12,14,20H,13H2,1-2H3
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n/an/a>1.00E+4n/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)
BDBM50474304
PNG
(CHEMBL114937)
Show SMILES COc1cc(CC2c3ccccc3C(=O)c3ccccc23)cc(OC)c1
Show InChI InChI=1S/C23H20O3/c1-25-16-11-15(12-17(14-16)26-2)13-22-18-7-3-5-9-20(18)23(24)21-10-6-4-8-19(21)22/h3-12,14,22H,13H2,1-2H3
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n/an/a 1.00E+4n/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)
BDBM50474305
PNG
(CHEMBL422965)
Show SMILES [#6]-[#8]-c1cc(\[#6]=[#6]-2/c3ccccc3-[#6](=O)-c3ccccc-23)cc(-[#8]-[#6])c1-[#8]-[#6]
Show InChI InChI=1S/C24H20O4/c1-26-21-13-15(14-22(27-2)24(21)28-3)12-20-16-8-4-6-10-18(16)23(25)19-11-7-5-9-17(19)20/h4-14H,1-3H3
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n/an/a 1.00E+4n/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)
BDBM50474285
PNG
(CHEMBL115490)
Show SMILES COc1cc(CC2c3ccccc3C(=O)c3ccccc23)cc(OC)c1OC
Show InChI InChI=1S/C24H22O4/c1-26-21-13-15(14-22(27-2)24(21)28-3)12-20-16-8-4-6-10-18(16)23(25)19-11-7-5-9-17(19)20/h4-11,13-14,20H,12H2,1-3H3
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n/an/a>1.00E+4n/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)
BDBM50474295
PNG
(CHEMBL114677)
Show SMILES [#8]-c1cc(\[#6]=[#6]-2/c3ccccc3-[#6](=O)-c3ccccc-23)cc(-[#8])c1-[#8]
Show InChI InChI=1S/C21H14O4/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/h1-11,22-23,25H
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n/an/a>1.00E+4n/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)
BDBM50474301
PNG
(CHEMBL114423)
Show SMILES O=[#6]-1-c2ccccc2\[#6](=[#6]\c2ccc(-[#8]-[#6]-c3ccccc3)cc2)-c2ccccc-12
Show InChI InChI=1S/C28H20O2/c29-28-25-12-6-4-10-23(25)27(24-11-5-7-13-26(24)28)18-20-14-16-22(17-15-20)30-19-21-8-2-1-3-9-21/h1-18H,19H2
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n/an/a>1.00E+4n/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
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