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PubMed code 8389875

Compile data set for download or QSAR
Found 34 hits of Enzyme Inhibition Constant Data   
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
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50230748
PNG
(CHEMBL298087)
Show SMILES COc1cc(cc(OC)c1O)[C@H]1[C@@H]2C(COC2=O)[C@H](CCO)c2cc3OCOc3cc12
Show InChI InChI=1S/C23H24O8/c1-27-18-5-11(6-19(28-2)22(18)25)20-14-8-17-16(30-10-31-17)7-13(14)12(3-4-24)15-9-29-23(26)21(15)20/h5-8,12,15,20-21,24-25H,3-4,9-10H2,1-2H3/t12-,15?,20-,21+/m1/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



Taiho Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Drug concentration needed to produce a 50% reduction of bovine brain tubulin polymerization relative to the control


J Med Chem 36: 1689-99 (1993)


Article DOI: 10.1021/jm00064a002
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50230728
PNG
(CHEMBL297274)
Show SMILES COc1cc(cc(OC)c1O)[C@H]1[C@@H]2C(COC2=O)[C@H](CCCO)c2cc3OCOc3cc12
Show InChI InChI=1S/C24H26O8/c1-28-19-6-12(7-20(29-2)23(19)26)21-15-9-18-17(31-11-32-18)8-14(15)13(4-3-5-25)16-10-30-24(27)22(16)21/h6-9,13,16,21-22,25-26H,3-5,10-11H2,1-2H3/t13-,16?,21-,22+/m1/s1
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n/an/a 2.60E+4n/an/an/an/an/an/a



Taiho Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Tested for antagonist activityt against NK-2 receptor in rabbit pulmonary artery by using Neurokinin A as agonist


J Med Chem 36: 1689-99 (1993)


Article DOI: 10.1021/jm00064a002
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50127140
PNG
((-)-etoposide | (5S,5aR,8aR,9R)-9-(4-hydroxy-3,5-d...)
Show SMILES COc1cc(cc(OC)c1O)[C@H]1[C@@H]2[C@H](COC2=O)[C@H](O[C@@H]2O[C@@H]3CO[C@@H](C)O[C@H]3[C@H](O)[C@H]2O)c2cc3OCOc3cc12
Show InChI InChI=1S/C29H32O13/c1-11-36-9-20-27(40-11)24(31)25(32)29(41-20)42-26-14-7-17-16(38-10-39-17)6-13(14)21(22-15(26)8-37-28(22)33)12-4-18(34-2)23(30)19(5-12)35-3/h4-7,11,15,20-22,24-27,29-32H,8-10H2,1-3H3/t11-,15+,20-,21-,22+,24-,25-,26-,27-,29+/m1/s1
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n/an/a>6.00E+4n/an/an/an/an/an/a



Taiho Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Drug concentration needed to produce a 50% reduction of bovine brain tubulin polymerization relative to the control


J Med Chem 36: 1689-99 (1993)


Article DOI: 10.1021/jm00064a002
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50230743
PNG
(CHEMBL541042)
Show SMILES Cl.COc1cc(cc(OC)c1O)[C@H]1[C@@H]2C(COC2=O)[C@H](CCN2CCC[C@@H]2CO)c2cc3OCOc3cc12
Show InChI InChI=1S/C28H33NO8.ClH/c1-33-23-8-15(9-24(34-2)27(23)31)25-19-11-22-21(36-14-37-22)10-18(19)17(20-13-35-28(32)26(20)25)5-7-29-6-3-4-16(29)12-30;/h8-11,16-17,20,25-26,30-31H,3-7,12-14H2,1-2H3;1H/t16-,17-,20?,25-,26+;/m1./s1
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n/an/a>6.20E+4n/an/an/an/an/an/a



Taiho Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Drug concentration needed to produce a 50% reduction of bovine brain tubulin polymerization relative to the control


J Med Chem 36: 1689-99 (1993)


Article DOI: 10.1021/jm00064a002
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50230731
PNG
(CHEMBL1204204)
Show SMILES Cl.Cl.COc1cc(cc(OC)c1O)[C@H]1[C@@H]2C(COC2=O)[C@H](CCN(C)CCN(C)C)c2cc3OCOc3cc12
Show InChI InChI=1S/C28H36N2O7.2ClH/c1-29(2)8-9-30(3)7-6-17-18-12-21-22(37-15-36-21)13-19(18)25(26-20(17)14-35-28(26)32)16-10-23(33-4)27(31)24(11-16)34-5;;/h10-13,17,20,25-26,31H,6-9,14-15H2,1-5H3;2*1H/t17-,20?,25-,26+;;/m1../s1
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n/an/a>9.90E+4n/an/an/an/an/an/a



Taiho Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Drug concentration needed to produce a 50% reduction of bovine brain tubulin polymerization relative to the control


J Med Chem 36: 1689-99 (1993)


Article DOI: 10.1021/jm00064a002
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50230746
PNG
(CHEMBL554198)
Show SMILES Cl.COc1cc(cc(OC)c1O)[C@H]1[C@@H]2C(COC2=O)[C@H](CC(=O)NCc2ccncc2)c2cc3OCOc3cc12
Show InChI InChI=1S/C29H28N2O8.ClH/c1-35-23-7-16(8-24(36-2)28(23)33)26-19-10-22-21(38-14-39-22)9-17(19)18(20-13-37-29(34)27(20)26)11-25(32)31-12-15-3-5-30-6-4-15;/h3-10,18,20,26-27,33H,11-14H2,1-2H3,(H,31,32);1H/t18-,20?,26-,27+;/m1./s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Taiho Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Drug concentration needed to produce a 50% reduction of bovine brain tubulin polymerization relative to the control


J Med Chem 36: 1689-99 (1993)


Article DOI: 10.1021/jm00064a002
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50230730
PNG
(CHEMBL553647)
Show SMILES Cl.COc1cc(cc(OC)c1O)[C@H]1[C@@H]2C(COC2=O)[C@H](CC(=O)NCCN2CCCCC2)c2cc3OCOc3cc12
Show InChI InChI=1S/C30H36N2O8.ClH/c1-36-24-10-17(11-25(37-2)29(24)34)27-20-13-23-22(39-16-40-23)12-18(20)19(21-15-38-30(35)28(21)27)14-26(33)31-6-9-32-7-4-3-5-8-32;/h10-13,19,21,27-28,34H,3-9,14-16H2,1-2H3,(H,31,33);1H/t19-,21?,27-,28+;/m1./s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Taiho Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Tested for antagonist activityt against NK-2 receptor in rabbit pulmonary artery by using Neurokinin A as agonist


J Med Chem 36: 1689-99 (1993)


Article DOI: 10.1021/jm00064a002
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50230729
PNG
(CHEMBL1202604)
Show SMILES Cl.Cl.COc1cc(cc(OC)c1O)[C@H]1[C@@H]2C(COC2=O)[C@H](CCN(C)N2CCN(C)CC2)c2cc3OCOc3cc12
Show InChI InChI=1S/C29H37N3O7.2ClH/c1-30-7-9-32(10-8-30)31(2)6-5-18-19-13-22-23(39-16-38-22)14-20(19)26(27-21(18)15-37-29(27)34)17-11-24(35-3)28(33)25(12-17)36-4;;/h11-14,18,21,26-27,33H,5-10,15-16H2,1-4H3;2*1H/t18-,21?,26-,27+;;/m1../s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Taiho Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Tested for antagonist activityt against NK-2 receptor in rabbit pulmonary artery by using Neurokinin A as agonist


J Med Chem 36: 1689-99 (1993)


Article DOI: 10.1021/jm00064a002
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50230742
PNG
(CHEMBL1202600)
Show SMILES Cl.Cl.COc1cc(cc(OC)c1O)[C@H]1[C@@H]2C(COC2=O)[C@H](CCN(C)Cc2ccccn2)c2cc3OCOc3cc12
Show InChI InChI=1S/C30H32N2O7.2ClH/c1-32(14-18-6-4-5-8-31-18)9-7-19-20-12-23-24(39-16-38-23)13-21(20)27(28-22(19)15-37-30(28)34)17-10-25(35-2)29(33)26(11-17)36-3;;/h4-6,8,10-13,19,22,27-28,33H,7,9,14-16H2,1-3H3;2*1H/t19-,22?,27-,28+;;/m1../s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Taiho Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Drug concentration needed to produce a 50% reduction of bovine brain tubulin polymerization relative to the control


J Med Chem 36: 1689-99 (1993)


Article DOI: 10.1021/jm00064a002
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50230740
PNG
(CHEMBL1202605)
Show SMILES Cl.Cl.CCN(CC)CCN(C)CC[C@H]1C2COC(=O)[C@@H]2[C@H](c2cc(OC)c(O)c(OC)c2)c2cc3OCOc3cc12
Show InChI InChI=1S/C30H40N2O7.2ClH/c1-6-32(7-2)11-10-31(3)9-8-19-20-14-23-24(39-17-38-23)15-21(20)27(28-22(19)16-37-30(28)34)18-12-25(35-4)29(33)26(13-18)36-5;;/h12-15,19,22,27-28,33H,6-11,16-17H2,1-5H3;2*1H/t19-,22?,27-,28+;;/m1../s1
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Taiho Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Drug concentration needed to produce a 50% reduction of bovine brain tubulin polymerization relative to the control


J Med Chem 36: 1689-99 (1993)


Article DOI: 10.1021/jm00064a002
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50230738
PNG
(CHEMBL544018)
Show SMILES Cl.COc1cc(cc(OC)c1O)[C@H]1[C@@H]2C(COC2=O)[C@H](CC(=O)N(C)CCN(C)C)c2cc3OCOc3cc12
Show InChI InChI=1S/C28H34N2O8.ClH/c1-29(2)6-7-30(3)24(31)12-17-16-10-20-21(38-14-37-20)11-18(16)25(26-19(17)13-36-28(26)33)15-8-22(34-4)27(32)23(9-15)35-5;/h8-11,17,19,25-26,32H,6-7,12-14H2,1-5H3;1H/t17-,19?,25-,26+;/m1./s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Taiho Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Drug concentration needed to produce a 50% reduction of bovine brain tubulin polymerization relative to the control


J Med Chem 36: 1689-99 (1993)


Article DOI: 10.1021/jm00064a002
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50230754
PNG
(CHEMBL538490)
Show SMILES Cl.COc1cc(cc(OC)c1O)[C@H]1[C@@H]2C(COC2=O)[C@H](CC(=O)NCCc2cccn2C)c2cc3OCOc3cc12
Show InChI InChI=1S/C30H32N2O8.ClH/c1-32-8-4-5-17(32)6-7-31-26(33)13-19-18-11-22-23(40-15-39-22)12-20(18)27(28-21(19)14-38-30(28)35)16-9-24(36-2)29(34)25(10-16)37-3;/h4-5,8-12,19,21,27-28,34H,6-7,13-15H2,1-3H3,(H,31,33);1H/t19-,21?,27-,28+;/m1./s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Taiho Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Drug concentration needed to produce a 50% reduction of bovine brain tubulin polymerization relative to the control


J Med Chem 36: 1689-99 (1993)


Article DOI: 10.1021/jm00064a002
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50230735
PNG
(CHEMBL541545)
Show SMILES Cl.COc1cc(cc(OC)c1O)[C@H]1[C@@H]2C(COC2=O)[C@H](CCN(C)N(C)C)c2cc3OCOc3cc12
Show InChI InChI=1S/C26H32N2O7.ClH/c1-27(2)28(3)7-6-15-16-10-19-20(35-13-34-19)11-17(16)23(24-18(15)12-33-26(24)30)14-8-21(31-4)25(29)22(9-14)32-5;/h8-11,15,18,23-24,29H,6-7,12-13H2,1-5H3;1H/t15-,18?,23-,24+;/m1./s1
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Taiho Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Drug concentration needed to produce a 50% reduction of bovine brain tubulin polymerization relative to the control


J Med Chem 36: 1689-99 (1993)


Article DOI: 10.1021/jm00064a002
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50230756
PNG
(CHEMBL1202598)
Show SMILES Cl.Cl.COc1cc(cc(OC)c1O)[C@H]1[C@@H]2C(COC2=O)[C@H](CCN(C)CCCN(C)C)c2cc3OCOc3cc12
Show InChI InChI=1S/C29H38N2O7.2ClH/c1-30(2)8-6-9-31(3)10-7-18-19-13-22-23(38-16-37-22)14-20(19)26(27-21(18)15-36-29(27)33)17-11-24(34-4)28(32)25(12-17)35-5;;/h11-14,18,21,26-27,32H,6-10,15-16H2,1-5H3;2*1H/t18-,21?,26-,27+;;/m1../s1
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Taiho Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Drug concentration needed to produce a 50% reduction of bovine brain tubulin polymerization relative to the control


J Med Chem 36: 1689-99 (1993)


Article DOI: 10.1021/jm00064a002
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50230750
PNG
(CHEMBL540528)
Show SMILES Cl.COc1cc(cc(OC)c1O)[C@H]1[C@@H]2C(COC2=O)[C@H](CC(=O)NCCN2CCOCC2)c2cc3OCOc3cc12
Show InChI InChI=1S/C29H34N2O9.ClH/c1-35-23-9-16(10-24(36-2)28(23)33)26-19-12-22-21(39-15-40-22)11-17(19)18(20-14-38-29(34)27(20)26)13-25(32)30-3-4-31-5-7-37-8-6-31;/h9-12,18,20,26-27,33H,3-8,13-15H2,1-2H3,(H,30,32);1H/t18-,20?,26-,27+;/m1./s1
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Taiho Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Drug concentration needed to produce a 50% reduction of bovine brain tubulin polymerization relative to the control


J Med Chem 36: 1689-99 (1993)


Article DOI: 10.1021/jm00064a002
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50230737
PNG
(CHEMBL1202595)
Show SMILES Cl.Cl.COc1cc(cc(OC)c1O)[C@H]1[C@@H]2C(COC2=O)[C@H](CCN(C)Cc2ccncc2)c2cc3OCOc3cc12
Show InChI InChI=1S/C30H32N2O7.2ClH/c1-32(14-17-4-7-31-8-5-17)9-6-19-20-12-23-24(39-16-38-23)13-21(20)27(28-22(19)15-37-30(28)34)18-10-25(35-2)29(33)26(11-18)36-3;;/h4-5,7-8,10-13,19,22,27-28,33H,6,9,14-16H2,1-3H3;2*1H/t19-,22?,27-,28+;;/m1../s1
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Taiho Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Drug concentration needed to produce a 50% reduction of bovine brain tubulin polymerization relative to the control


J Med Chem 36: 1689-99 (1993)


Article DOI: 10.1021/jm00064a002
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50230732
PNG
(CHEMBL541807)
Show SMILES Cl.COc1cc(cc(OC)c1O)[C@H]1[C@@H]2C(COC2=O)[C@H](CC(=O)N2CCC(CC2)N2CCCCC2)c2cc3OCOc3cc12
Show InChI InChI=1S/C33H40N2O8.ClH/c1-39-27-12-19(13-28(40-2)32(27)37)30-23-15-26-25(42-18-43-26)14-21(23)22(24-17-41-33(38)31(24)30)16-29(36)35-10-6-20(7-11-35)34-8-4-3-5-9-34;/h12-15,20,22,24,30-31,37H,3-11,16-18H2,1-2H3;1H/t22-,24?,30-,31+;/m1./s1
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Taiho Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Drug concentration needed to produce a 50% reduction of bovine brain tubulin polymerization relative to the control


J Med Chem 36: 1689-99 (1993)


Article DOI: 10.1021/jm00064a002
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50230751
PNG
(CHEMBL556408)
Show SMILES Cl.COCCN(C)CC[C@H]1C2COC(=O)[C@@H]2[C@H](c2cc(OC)c(O)c(OC)c2)c2cc3OCOc3cc12
Show InChI InChI=1S/C27H33NO8.ClH/c1-28(7-8-31-2)6-5-16-17-11-20-21(36-14-35-20)12-18(17)24(25-19(16)13-34-27(25)30)15-9-22(32-3)26(29)23(10-15)33-4;/h9-12,16,19,24-25,29H,5-8,13-14H2,1-4H3;1H/t16-,19?,24-,25+;/m1./s1
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Taiho Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Drug concentration needed to produce a 50% reduction of bovine brain tubulin polymerization relative to the control


J Med Chem 36: 1689-99 (1993)


Article DOI: 10.1021/jm00064a002
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50230725
PNG
(CHEMBL538240)
Show SMILES Cl.COc1cc(cc(OC)c1O)[C@H]1[C@@H]2C(COC2=O)[C@H](CCN(C)C)c2cc3OCOc3cc12
Show InChI InChI=1S/C25H29NO7.ClH/c1-26(2)6-5-14-15-9-18-19(33-12-32-18)10-16(15)22(23-17(14)11-31-25(23)28)13-7-20(29-3)24(27)21(8-13)30-4;/h7-10,14,17,22-23,27H,5-6,11-12H2,1-4H3;1H/t14-,17?,22-,23+;/m1./s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Taiho Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Tested for antagonist activityt against NK-2 receptor in rabbit pulmonary artery by using Neurokinin A as agonist


J Med Chem 36: 1689-99 (1993)


Article DOI: 10.1021/jm00064a002
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50230752
PNG
(CHEMBL1202603)
Show SMILES Cl.Cl.COc1cc(cc(OC)c1O)[C@H]1[C@@H]2C(COC2=O)[C@H](CCNCCN(C)C)c2cc3OCOc3cc12
Show InChI InChI=1S/C27H34N2O7.2ClH/c1-29(2)8-7-28-6-5-16-17-11-20-21(36-14-35-20)12-18(17)24(25-19(16)13-34-27(25)31)15-9-22(32-3)26(30)23(10-15)33-4;;/h9-12,16,19,24-25,28,30H,5-8,13-14H2,1-4H3;2*1H/t16-,19?,24-,25+;;/m1../s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Taiho Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Drug concentration needed to produce a 50% reduction of bovine brain tubulin polymerization relative to the control


J Med Chem 36: 1689-99 (1993)


Article DOI: 10.1021/jm00064a002
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50230753
PNG
(CHEMBL553550)
Show SMILES Cl.COc1cc(cc(OC)c1O)[C@H]1[C@@H]2C(COC2=O)[C@H](CC(=O)N2CCC(C)CC2)c2cc3OCOc3cc12
Show InChI InChI=1S/C29H33NO8.ClH/c1-15-4-6-30(7-5-15)25(31)12-18-17-10-21-22(38-14-37-21)11-19(17)26(27-20(18)13-36-29(27)33)16-8-23(34-2)28(32)24(9-16)35-3;/h8-11,15,18,20,26-27,32H,4-7,12-14H2,1-3H3;1H/t18-,20?,26-,27+;/m1./s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Taiho Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Drug concentration needed to produce a 50% reduction of bovine brain tubulin polymerization relative to the control


J Med Chem 36: 1689-99 (1993)


Article DOI: 10.1021/jm00064a002
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50230755
PNG
(CHEMBL539255)
Show SMILES Cl.COc1cc(cc(OC)c1O)[C@H]1[C@@H]2C(COC2=O)[C@H](CCN(C)CCO)c2cc3OCOc3cc12
Show InChI InChI=1S/C26H31NO8.ClH/c1-27(6-7-28)5-4-15-16-10-19-20(35-13-34-19)11-17(16)23(24-18(15)12-33-26(24)30)14-8-21(31-2)25(29)22(9-14)32-3;/h8-11,15,18,23-24,28-29H,4-7,12-13H2,1-3H3;1H/t15-,18?,23-,24+;/m1./s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Taiho Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Drug concentration needed to produce a 50% reduction of bovine brain tubulin polymerization relative to the control


J Med Chem 36: 1689-99 (1993)


Article DOI: 10.1021/jm00064a002
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50230724
PNG
(CHEMBL1202602)
Show SMILES Cl.Cl.COc1cc(cc(OC)c1O)[C@H]1[C@@H]2C(COC2=O)[C@H](CCN2CCN(C)CC2)c2cc3OCOc3cc12
Show InChI InChI=1S/C28H34N2O7.2ClH/c1-29-6-8-30(9-7-29)5-4-17-18-12-21-22(37-15-36-21)13-19(18)25(26-20(17)14-35-28(26)32)16-10-23(33-2)27(31)24(11-16)34-3;;/h10-13,17,20,25-26,31H,4-9,14-15H2,1-3H3;2*1H/t17-,20?,25-,26+;;/m1../s1
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n/an/a>1.32E+5n/an/an/an/an/an/a



Taiho Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Tested for antagonist activityt against NK-2 receptor in rabbit pulmonary artery by using Neurokinin A as agonist


J Med Chem 36: 1689-99 (1993)


Article DOI: 10.1021/jm00064a002
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50230736
PNG
(CHEMBL1202599)
Show SMILES Cl.Cl.COc1cc(cc(OC)c1O)[C@H]1[C@@H]2C(COC2=O)[C@H](CCN(C)CCCCCCN(C)C)c2cc3OCOc3cc12
Show InChI InChI=1S/C32H44N2O7.2ClH/c1-33(2)11-8-6-7-9-12-34(3)13-10-21-22-16-25-26(41-19-40-25)17-23(22)29(30-24(21)18-39-32(30)36)20-14-27(37-4)31(35)28(15-20)38-5;;/h14-17,21,24,29-30,35H,6-13,18-19H2,1-5H3;2*1H/t21-,24?,29-,30+;;/m1../s1
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n/an/a>1.33E+5n/an/an/an/an/an/a



Taiho Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Drug concentration needed to produce a 50% reduction of bovine brain tubulin polymerization relative to the control


J Med Chem 36: 1689-99 (1993)


Article DOI: 10.1021/jm00064a002
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50230749
PNG
(CHEMBL539511)
Show SMILES Cl.COc1cc(cc(OC)c1O)[C@H]1[C@@H]2C(COC2=O)[C@H](CCN(C)C2CCCCC2)c2cc3OCOc3cc12
Show InChI InChI=1S/C30H37NO7.ClH/c1-31(18-7-5-4-6-8-18)10-9-19-20-13-23-24(38-16-37-23)14-21(20)27(28-22(19)15-36-30(28)33)17-11-25(34-2)29(32)26(12-17)35-3;/h11-14,18-19,22,27-28,32H,4-10,15-16H2,1-3H3;1H/t19-,22?,27-,28+;/m1./s1
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n/an/a>1.67E+5n/an/an/an/an/an/a



Taiho Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Drug concentration needed to produce a 50% reduction of bovine brain tubulin polymerization relative to the control


J Med Chem 36: 1689-99 (1993)


Article DOI: 10.1021/jm00064a002
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50230739
PNG
(CHEMBL1202597)
Show SMILES Cl.Cl.COc1cc(cc(OC)c1O)[C@H]1[C@@H]2C(COC2=O)[C@H](CCN(C)CCN2CCCCC2)c2cc3OCOc3cc12
Show InChI InChI=1S/C31H40N2O7.2ClH/c1-32(11-12-33-8-5-4-6-9-33)10-7-20-21-15-24-25(40-18-39-24)16-22(21)28(29-23(20)17-38-31(29)35)19-13-26(36-2)30(34)27(14-19)37-3;;/h13-16,20,23,28-29,34H,4-12,17-18H2,1-3H3;2*1H/t20-,23?,28-,29+;;/m1../s1
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n/an/a>1.67E+5n/an/an/an/an/an/a



Taiho Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Drug concentration needed to produce a 50% reduction of bovine brain tubulin polymerization relative to the control


J Med Chem 36: 1689-99 (1993)


Article DOI: 10.1021/jm00064a002
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50230747
PNG
(CHEMBL557621)
Show SMILES Cl.COc1cc(cc(OC)c1O)[C@H]1[C@@H]2C(COC2=O)[C@H](CCCN(C)C)c2cc3OCOc3cc12
Show InChI InChI=1S/C26H31NO7.ClH/c1-27(2)7-5-6-15-16-10-19-20(34-13-33-19)11-17(16)23(24-18(15)12-32-26(24)29)14-8-21(30-3)25(28)22(9-14)31-4;/h8-11,15,18,23-24,28H,5-7,12-13H2,1-4H3;1H/t15-,18?,23-,24+;/m1./s1
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n/an/a>1.67E+5n/an/an/an/an/an/a



Taiho Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Drug concentration needed to produce a 50% reduction of bovine brain tubulin polymerization relative to the control


J Med Chem 36: 1689-99 (1993)


Article DOI: 10.1021/jm00064a002
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50230741
PNG
(CHEMBL556053)
Show SMILES Cl.COc1cc(cc(OC)c1O)[C@H]1[C@@H]2C(COC2=O)[C@H](CCN(C)C(CO)CO)c2cc3OCOc3cc12
Show InChI InChI=1S/C27H33NO9.ClH/c1-28(15(10-29)11-30)5-4-16-17-8-20-21(37-13-36-20)9-18(17)24(25-19(16)12-35-27(25)32)14-6-22(33-2)26(31)23(7-14)34-3;/h6-9,15-16,19,24-25,29-31H,4-5,10-13H2,1-3H3;1H/t16-,19?,24-,25+;/m1./s1
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n/an/a>1.67E+5n/an/an/an/an/an/a



Taiho Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Drug concentration needed to produce a 50% reduction of bovine brain tubulin polymerization relative to the control


J Med Chem 36: 1689-99 (1993)


Article DOI: 10.1021/jm00064a002
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50230745
PNG
(CHEMBL1202601)
Show SMILES Cl.Cl.COc1cc(cc(OC)c1O)[C@H]1[C@@H]2C(COC2=O)[C@H](CCN(C)CCN2CCOCC2)c2cc3OCOc3cc12
Show InChI InChI=1S/C30H38N2O8.2ClH/c1-31(6-7-32-8-10-37-11-9-32)5-4-19-20-14-23-24(40-17-39-23)15-21(20)27(28-22(19)16-38-30(28)34)18-12-25(35-2)29(33)26(13-18)36-3;;/h12-15,19,22,27-28,33H,4-11,16-17H2,1-3H3;2*1H/t19-,22?,27-,28+;;/m1../s1
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n/an/a>1.67E+5n/an/an/an/an/an/a



Taiho Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Drug concentration needed to produce a 50% reduction of bovine brain tubulin polymerization relative to the control


J Med Chem 36: 1689-99 (1993)


Article DOI: 10.1021/jm00064a002
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50230727
PNG
(CHEMBL552576)
Show SMILES Cl.CCCCCCN(C)CC[C@H]1C2COC(=O)[C@@H]2[C@H](c2cc(OC)c(O)c(OC)c2)c2cc3OCOc3cc12
Show InChI InChI=1S/C30H39NO7.ClH/c1-5-6-7-8-10-31(2)11-9-19-20-14-23-24(38-17-37-23)15-21(20)27(28-22(19)16-36-30(28)33)18-12-25(34-3)29(32)26(13-18)35-4;/h12-15,19,22,27-28,32H,5-11,16-17H2,1-4H3;1H/t19-,22?,27-,28+;/m1./s1
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n/an/a>1.67E+5n/an/an/an/an/an/a



Taiho Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Tested for antagonist activityt against NK-2 receptor in rabbit pulmonary artery by using Neurokinin A as agonist


J Med Chem 36: 1689-99 (1993)


Article DOI: 10.1021/jm00064a002
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50230726
PNG
(CHEMBL555319)
Show SMILES Cl.COc1cc(cc(OC)c1O)[C@H]1[C@@H]2C(COC2=O)[C@H](CCN2CCCCC2)c2cc3OCOc3cc12
Show InChI InChI=1S/C28H33NO7.ClH/c1-32-23-10-16(11-24(33-2)27(23)30)25-19-13-22-21(35-15-36-22)12-18(19)17(20-14-34-28(31)26(20)25)6-9-29-7-4-3-5-8-29;/h10-13,17,20,25-26,30H,3-9,14-15H2,1-2H3;1H/t17-,20?,25-,26+;/m1./s1
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n/an/a>1.67E+5n/an/an/an/an/an/a



Taiho Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Tested for antagonist activityt against NK-2 receptor in rabbit pulmonary artery by using Neurokinin A as agonist


J Med Chem 36: 1689-99 (1993)


Article DOI: 10.1021/jm00064a002
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50230734
PNG
(CHEMBL540275)
Show SMILES Cl.COc1cc(cc(OC)c1O)[C@H]1[C@@H]2C(COC2=O)[C@H](CCN2CCOCC2)c2cc3OCOc3cc12
Show InChI InChI=1S/C27H31NO8.ClH/c1-31-22-9-15(10-23(32-2)26(22)29)24-18-12-21-20(35-14-36-21)11-17(18)16(19-13-34-27(30)25(19)24)3-4-28-5-7-33-8-6-28;/h9-12,16,19,24-25,29H,3-8,13-14H2,1-2H3;1H/t16-,19?,24-,25+;/m1./s1
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n/an/a>1.67E+5n/an/an/an/an/an/a



Taiho Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Drug concentration needed to produce a 50% reduction of bovine brain tubulin polymerization relative to the control


J Med Chem 36: 1689-99 (1993)


Article DOI: 10.1021/jm00064a002
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50230744
PNG
(CHEMBL543789)
Show SMILES Cl.COc1cc(cc(OC)c1O)[C@H]1[C@@H]2C(COC2=O)[C@H](CCN(C)Cc2ccccc2)c2cc3OCOc3cc12
Show InChI InChI=1S/C31H33NO7.ClH/c1-32(15-18-7-5-4-6-8-18)10-9-20-21-13-24-25(39-17-38-24)14-22(21)28(29-23(20)16-37-31(29)34)19-11-26(35-2)30(33)27(12-19)36-3;/h4-8,11-14,20,23,28-29,33H,9-10,15-17H2,1-3H3;1H/t20-,23?,28-,29+;/m1./s1
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n/an/a>1.67E+5n/an/an/an/an/an/a



Taiho Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Drug concentration needed to produce a 50% reduction of bovine brain tubulin polymerization relative to the control


J Med Chem 36: 1689-99 (1993)


Article DOI: 10.1021/jm00064a002
More data for this
Ligand-Target Pair
Similar to alpha-tubulin isoform 1


(Bos taurus)
BDBM50230733
PNG
(CHEMBL1202596)
Show SMILES Cl.Cl.COc1cc(cc(OC)c1O)[C@H]1[C@@H]2C(COC2=O)[C@H](CCN2CCC(CC2)N2CCCCC2)c2cc3OCOc3cc12
Show InChI InChI=1S/C33H42N2O7.2ClH/c1-38-28-14-20(15-29(39-2)32(28)36)30-24-17-27-26(41-19-42-27)16-23(24)22(25-18-40-33(37)31(25)30)8-13-34-11-6-21(7-12-34)35-9-4-3-5-10-35;;/h14-17,21-22,25,30-31,36H,3-13,18-19H2,1-2H3;2*1H/t22-,25?,30-,31+;;/m1../s1
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n/an/a>1.67E+5n/an/an/an/an/an/a



Taiho Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Drug concentration needed to produce a 50% reduction of bovine brain tubulin polymerization relative to the control


J Med Chem 36: 1689-99 (1993)


Article DOI: 10.1021/jm00064a002
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%