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Compile Data Set for Download or QSAR

Found 20 hits with Last Name = 'zielinski-mozng' and Initial = 'n'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tubulin beta-2B chain


(Bos taurus)
BDBM50111568
PNG
(2-Methoxy-5-[5-(3,4,5-trimethoxy-phenyl)-3H-imidaz...)
Show SMILES COc1ccc(cc1N)-c1nc[nH]c1-c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C19H21N3O4/c1-23-14-6-5-11(7-13(14)20)17-18(22-10-21-17)12-8-15(24-2)19(26-4)16(9-12)25-3/h5-10H,20H2,1-4H3,(H,21,22)
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n/an/a 680n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Concentration needed to inhibit tubulin polymerization by 50%


J Med Chem 45: 1697-711 (2002)


BindingDB Entry DOI: 10.7270/Q2QJ7GKQ
More data for this
Ligand-Target Pair
Tubulin beta-2B chain


(Bos taurus)
BDBM50111579
PNG
(2-Methoxy-5-[5-(3,4,5-trimethoxy-phenyl)-3H-imidaz...)
Show SMILES COc1ccc(cc1O)-c1nc[nH]c1-c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C19H20N2O5/c1-23-14-6-5-11(7-13(14)22)17-18(21-10-20-17)12-8-15(24-2)19(26-4)16(9-12)25-3/h5-10,22H,1-4H3,(H,20,21)
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n/an/a 730n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Concentration needed to inhibit tubulin polymerization by 50%


J Med Chem 45: 1697-711 (2002)


BindingDB Entry DOI: 10.7270/Q2QJ7GKQ
More data for this
Ligand-Target Pair
Tubulin beta-2B chain


(Bos taurus)
BDBM50111574
PNG
(1-Methyl-5-[4-(3,4,5-trimethoxy-phenyl)-oxazol-5-y...)
Show SMILES COc1cc(cc(OC)c1OC)-c1ncoc1-c1ccc2n(C)ccc2c1
Show InChI InChI=1S/C21H20N2O4/c1-23-8-7-13-9-14(5-6-16(13)23)20-19(22-12-27-20)15-10-17(24-2)21(26-4)18(11-15)25-3/h5-12H,1-4H3
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n/an/a 790n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Concentration needed to inhibit tubulin polymerization by 50%


J Med Chem 45: 1697-711 (2002)


BindingDB Entry DOI: 10.7270/Q2QJ7GKQ
More data for this
Ligand-Target Pair
Tubulin beta-2B chain


(Bos taurus)
BDBM50111554
PNG
(CHEMBL296066 | Dimethyl-{4-[4-(3,4,5-trimethoxy-ph...)
Show SMILES COc1cc(cc(OC)c1OC)-c1ncoc1-c1ccc(cc1)N(C)C
Show InChI InChI=1S/C20H22N2O4/c1-22(2)15-8-6-13(7-9-15)19-18(21-12-26-19)14-10-16(23-3)20(25-5)17(11-14)24-4/h6-12H,1-5H3
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n/an/a 870n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Concentration needed to inhibit tubulin polymerization by 50%


J Med Chem 45: 1697-711 (2002)


BindingDB Entry DOI: 10.7270/Q2QJ7GKQ
More data for this
Ligand-Target Pair
Tubulin beta-2B chain


(Bos taurus)
BDBM50111558
PNG
(2-Methoxy-5-[4-(3,4,5-trimethoxy-phenyl)-oxazol-5-...)
Show SMILES COc1ccc(cc1N)-c1ocnc1-c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C19H20N2O5/c1-22-14-6-5-11(7-13(14)20)18-17(21-10-26-18)12-8-15(23-2)19(25-4)16(9-12)24-3/h5-10H,20H2,1-4H3
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n/an/a 920n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Concentration needed to inhibit tubulin polymerization by 50%


J Med Chem 45: 1697-711 (2002)


BindingDB Entry DOI: 10.7270/Q2QJ7GKQ
More data for this
Ligand-Target Pair
Tubulin beta-2B chain


(Bos taurus)
BDBM50111567
PNG
(2-Methoxy-5-[4-(3,4,5-trimethoxy-phenyl)-oxazol-5-...)
Show SMILES COc1ccc(cc1O)-c1ocnc1-c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C19H19NO6/c1-22-14-6-5-11(7-13(14)21)18-17(20-10-26-18)12-8-15(23-2)19(25-4)16(9-12)24-3/h5-10,21H,1-4H3
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n/an/a 980n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Concentration needed to inhibit tubulin polymerization by 50%


J Med Chem 45: 1697-711 (2002)


BindingDB Entry DOI: 10.7270/Q2QJ7GKQ
More data for this
Ligand-Target Pair
Tubulin beta-2B chain


(Bos taurus)
BDBM50111566
PNG
(1-Methyl-6-[5-(3,4,5-trimethoxy-phenyl)-3H-imidazo...)
Show SMILES COc1cc(cc(OC)c1OC)-c1[nH]cnc1-c1ccc2ccn(C)c2c1
Show InChI InChI=1S/C21H21N3O3/c1-24-8-7-13-5-6-14(9-16(13)24)19-20(23-12-22-19)15-10-17(25-2)21(27-4)18(11-15)26-3/h5-12H,1-4H3,(H,22,23)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Concentration needed to inhibit tubulin polymerization by 50%


J Med Chem 45: 1697-711 (2002)


BindingDB Entry DOI: 10.7270/Q2QJ7GKQ
More data for this
Ligand-Target Pair
Tubulin beta-2B chain


(Bos taurus)
BDBM50005480
PNG
((-)-combretastatin | (Z)-3'-hydroxy-3,4,4',5-tetra...)
Show SMILES COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc1O
Show InChI InChI=1S/C18H20O5/c1-20-15-8-7-12(9-14(15)19)5-6-13-10-16(21-2)18(23-4)17(11-13)22-3/h5-11,19H,1-4H3/b6-5-
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n/an/a 1.20E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Concentration needed to inhibit tubulin polymerization by 50%


J Med Chem 45: 1697-711 (2002)


BindingDB Entry DOI: 10.7270/Q2QJ7GKQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tubulin beta-2B chain


(Bos taurus)
BDBM50111555
PNG
(1-Methyl-5-[3-(3,4,5-trimethoxy-phenyl)-3H-imidazo...)
Show SMILES COc1cc(cc(OC)c1OC)-n1cncc1-c1ccc2n(C)ccc2c1
Show InChI InChI=1S/C21H21N3O3/c1-23-8-7-15-9-14(5-6-17(15)23)18-12-22-13-24(18)16-10-19(25-2)21(27-4)20(11-16)26-3/h5-13H,1-4H3
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n/an/a 1.80E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Concentration needed to inhibit tubulin polymerization by 50%


J Med Chem 45: 1697-711 (2002)


BindingDB Entry DOI: 10.7270/Q2QJ7GKQ
More data for this
Ligand-Target Pair
Tubulin beta-2B chain


(Bos taurus)
BDBM50111569
PNG
(1-Methyl-6-[3-methyl-5-(3,4,5-trimethoxy-phenyl)-3...)
Show SMILES COc1cc(cc(OC)c1OC)-c1ncn(C)c1-c1ccc2ccn(C)c2c1
Show InChI InChI=1S/C22H23N3O3/c1-24-9-8-14-6-7-15(10-17(14)24)21-20(23-13-25(21)2)16-11-18(26-3)22(28-5)19(12-16)27-4/h6-13H,1-5H3
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n/an/a 2.00E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Concentration needed to inhibit tubulin polymerization by 50%


J Med Chem 45: 1697-711 (2002)


BindingDB Entry DOI: 10.7270/Q2QJ7GKQ
More data for this
Ligand-Target Pair
Tubulin beta-2B chain


(Bos taurus)
BDBM50111580
PNG
(5-(4-Methoxy-phenyl)-4-(3,4,5-trimethoxy-phenyl)-1...)
Show SMILES COc1ccc(cc1)-c1nc[nH]c1-c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C19H20N2O4/c1-22-14-7-5-12(6-8-14)17-18(21-11-20-17)13-9-15(23-2)19(25-4)16(10-13)24-3/h5-11H,1-4H3,(H,20,21)
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n/an/a 2.80E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Concentration needed to inhibit tubulin polymerization by 50%


J Med Chem 45: 1697-711 (2002)


BindingDB Entry DOI: 10.7270/Q2QJ7GKQ
More data for this
Ligand-Target Pair
Tubulin beta-2B chain


(Bos taurus)
BDBM50111570
PNG
(CHEMBL296406 | Dimethyl-{4-[5-(3,4,5-trimethoxy-ph...)
Show SMILES COc1cc(cc(OC)c1OC)-c1[nH]cnc1-c1ccc(cc1)N(C)C
Show InChI InChI=1S/C20H23N3O3/c1-23(2)15-8-6-13(7-9-15)18-19(22-12-21-18)14-10-16(24-3)20(26-5)17(11-14)25-4/h6-12H,1-5H3,(H,21,22)
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n/an/a 3.70E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Concentration needed to inhibit tubulin polymerization by 50%


J Med Chem 45: 1697-711 (2002)


BindingDB Entry DOI: 10.7270/Q2QJ7GKQ
More data for this
Ligand-Target Pair
Tubulin beta-2B chain


(Bos taurus)
BDBM50111578
PNG
(2-Methoxy-5-[3-(3,4,5-trimethoxy-phenyl)-3H-imidaz...)
Show SMILES COc1ccc(cc1O)-c1cncn1-c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C19H20N2O5/c1-23-16-6-5-12(7-15(16)22)14-10-20-11-21(14)13-8-17(24-2)19(26-4)18(9-13)25-3/h5-11,22H,1-4H3
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n/an/a 7.60E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Concentration needed to inhibit tubulin polymerization by 50%


J Med Chem 45: 1697-711 (2002)


BindingDB Entry DOI: 10.7270/Q2QJ7GKQ
More data for this
Ligand-Target Pair
Tubulin beta-2B chain


(Bos taurus)
BDBM50111562
PNG
(2-Methoxy-5-[3-(3,4,5-trimethoxy-phenyl)-3H-imidaz...)
Show SMILES COc1ccc(cc1N)-c1cncn1-c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C19H21N3O4/c1-23-16-6-5-12(7-14(16)20)15-10-21-11-22(15)13-8-17(24-2)19(26-4)18(9-13)25-3/h5-11H,20H2,1-4H3
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n/an/a 7.70E+3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Concentration needed to inhibit tubulin polymerization by 50%


J Med Chem 45: 1697-711 (2002)


BindingDB Entry DOI: 10.7270/Q2QJ7GKQ
More data for this
Ligand-Target Pair
Tubulin beta-2B chain


(Bos taurus)
BDBM50111556
PNG
(CHEMBL297236 | Dimethyl-{4-[3-(3,4,5-trimethoxy-ph...)
Show SMILES COc1cc(cc(OC)c1OC)-n1cncc1-c1ccc(cc1)N(C)C
Show InChI InChI=1S/C20H23N3O3/c1-22(2)15-8-6-14(7-9-15)17-12-21-13-23(17)16-10-18(24-3)20(26-5)19(11-16)25-4/h6-13H,1-5H3
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n/an/a 2.30E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Concentration needed to inhibit tubulin polymerization by 50%


J Med Chem 45: 1697-711 (2002)


BindingDB Entry DOI: 10.7270/Q2QJ7GKQ
More data for this
Ligand-Target Pair
Tubulin beta-2B chain


(Bos taurus)
BDBM50111559
PNG
(2-Methoxy-5-[3-methyl-5-(3,4,5-trimethoxy-phenyl)-...)
Show SMILES COc1ccc(cc1N)-c1c(ncn1C)-c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C20H23N3O4/c1-23-11-22-18(19(23)12-6-7-15(24-2)14(21)8-12)13-9-16(25-3)20(27-5)17(10-13)26-4/h6-11H,21H2,1-5H3
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n/an/a 3.10E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Concentration needed to inhibit tubulin polymerization by 50%


J Med Chem 45: 1697-711 (2002)


BindingDB Entry DOI: 10.7270/Q2QJ7GKQ
More data for this
Ligand-Target Pair
Tubulin beta-2B chain


(Bos taurus)
BDBM50111561
PNG
(CHEMBL47112 | Dimethyl-{4-[1-(3,4,5-trimethoxy-phe...)
Show SMILES COc1cc(cc(OC)c1OC)-n1ccnc1-c1ccc(cc1)N(C)C
Show InChI InChI=1S/C20H23N3O3/c1-22(2)15-8-6-14(7-9-15)20-21-10-11-23(20)16-12-17(24-3)19(26-5)18(13-16)25-4/h6-13H,1-5H3
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n/an/a 3.50E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Concentration needed to inhibit tubulin polymerization by 50%


J Med Chem 45: 1697-711 (2002)


BindingDB Entry DOI: 10.7270/Q2QJ7GKQ
More data for this
Ligand-Target Pair
Tubulin beta-2B chain


(Bos taurus)
BDBM50111582
PNG
(1-Methyl-5-[3-(3,4,5-trimethoxy-phenyl)-3H-imidazo...)
Show SMILES COc1cc(cc(OC)c1OC)-n1cncc1-c1ccc2N(C)CCc2c1
Show InChI InChI=1S/C21H23N3O3/c1-23-8-7-15-9-14(5-6-17(15)23)18-12-22-13-24(18)16-10-19(25-2)21(27-4)20(11-16)26-3/h5-6,9-13H,7-8H2,1-4H3
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n/an/a 4.80E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Concentration needed to inhibit tubulin polymerization by 50%


J Med Chem 45: 1697-711 (2002)


BindingDB Entry DOI: 10.7270/Q2QJ7GKQ
More data for this
Ligand-Target Pair
Tubulin beta-2B chain


(Bos taurus)
BDBM50111565
PNG
(5-[3-(3,4,5-Trimethoxy-phenyl)-3H-imidazol-4-yl]-1...)
Show SMILES COc1cc(cc(OC)c1OC)-n1cncc1-c1ccc2[nH]ccc2c1
Show InChI InChI=1S/C20H19N3O3/c1-24-18-9-15(10-19(25-2)20(18)26-3)23-12-21-11-17(23)14-4-5-16-13(8-14)6-7-22-16/h4-12,22H,1-3H3
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n/an/a 7.10E+4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Concentration needed to inhibit tubulin polymerization by 50%


J Med Chem 45: 1697-711 (2002)


BindingDB Entry DOI: 10.7270/Q2QJ7GKQ
More data for this
Ligand-Target Pair
Tubulin beta-2B chain


(Bos taurus)
BDBM50111576
PNG
(CHEMBL297018 | Dimethyl-{4-[5-(3,4,5-trimethoxy-ph...)
Show SMILES COc1cc(cc(OC)c1OC)-c1cncn1-c1ccc(cc1)N(C)C
Show InChI InChI=1S/C20H23N3O3/c1-22(2)15-6-8-16(9-7-15)23-13-21-12-17(23)14-10-18(24-3)20(26-5)19(11-14)25-4/h6-13H,1-5H3
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n/an/a 1.30E+5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Concentration needed to inhibit tubulin polymerization by 50%


J Med Chem 45: 1697-711 (2002)


BindingDB Entry DOI: 10.7270/Q2QJ7GKQ
More data for this
Ligand-Target Pair