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Compile Data Set for Download or QSAR

Found 6 hits from Daiichi Pharmaceutical Co. Ltd.   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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
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 600n/an/an/an/an/an/a



Daiichi Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Concentration of compound required to inhibit tubulin polymerization (Microtubule assembly) was determined by the turbidity formation after 20 min of...


Bioorg Med Chem Lett 12: 3191-3 (2002)


Article DOI: 10.1016/s0960-894x(02)00568-1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tubulin beta chain


(Sus scrofa)
BDBM50217543
PNG
(CHEMBL540565)
Show SMILES Cl.Cc1c(\C=C\CN2CCN(CC2)c2cc(F)cc(F)c2)cnn1-c1ccnc(N)n1
Show InChI InChI=1S/C21H23F2N7.ClH/c1-15-16(14-26-30(15)20-4-5-25-21(24)27-20)3-2-6-28-7-9-29(10-8-28)19-12-17(22)11-18(23)13-19;/h2-5,11-14H,6-10H2,1H3,(H2,24,25,27);1H/b3-2+;
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n/an/a 3.72E+3n/an/an/an/an/an/a



Daiichi Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Concentration of compound required to inhibit tubulin polymerization (Microtubule assembly) was determined by the turbidity formation after 20 min of...


Bioorg Med Chem Lett 12: 3191-3 (2002)


Article DOI: 10.1016/s0960-894x(02)00568-1
More data for this
Ligand-Target Pair
Tubulin beta chain


(Sus scrofa)
BDBM50217597
PNG
(CHEMBL542447)
Show SMILES Cl.Cc1c(\C=C\CN2CCN(CC2)c2cc(F)cc(F)c2)cnn1-c1ncccn1
Show InChI InChI=1S/C21H22F2N6.ClH/c1-16-17(15-26-29(16)21-24-5-3-6-25-21)4-2-7-27-8-10-28(11-9-27)20-13-18(22)12-19(23)14-20;/h2-6,12-15H,7-11H2,1H3;1H/b4-2+;
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n/an/a 9.08E+3n/an/an/an/an/an/a



Daiichi Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Concentration of compound required to inhibit tubulin polymerization (Microtubule assembly) was determined by the turbidity formation after 20 min of...


Bioorg Med Chem Lett 12: 3191-3 (2002)


Article DOI: 10.1016/s0960-894x(02)00568-1
More data for this
Ligand-Target Pair
Tubulin beta chain


(Sus scrofa)
BDBM50217501
PNG
(CHEMBL543873)
Show SMILES Cl.Cc1c(\C=C\CN2CCN(CC2)c2cc(F)cc(F)c2)cnn1-c1nccc(N)n1
Show InChI InChI=1S/C21H23F2N7.ClH/c1-15-16(14-26-30(15)21-25-5-4-20(24)27-21)3-2-6-28-7-9-29(10-8-28)19-12-17(22)11-18(23)13-19;/h2-5,11-14H,6-10H2,1H3,(H2,24,25,27);1H/b3-2+;
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n/an/a 1.11E+4n/an/an/an/an/an/a



Daiichi Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Concentration of compound required to inhibit tubulin polymerization (Microtubule assembly) was determined by the turbidity formation after 20 min of...


Bioorg Med Chem Lett 12: 3191-3 (2002)


Article DOI: 10.1016/s0960-894x(02)00568-1
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
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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KEGG
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n/an/a 2.93E+4n/an/an/an/an/an/a



Daiichi Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Concentration of compound required to inhibit tubulin polymerization (Microtubule assembly) was determined by the turbidity formation after 20 min of...


Bioorg Med Chem Lett 12: 3191-3 (2002)


Article DOI: 10.1016/s0960-894x(02)00568-1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tubulin beta chain


(Sus scrofa)
BDBM50217502
PNG
(CHEMBL554449)
Show SMILES Cl.Cc1c(\C=C\CN2CCN(CC2)c2cccc(Cl)c2)cnn1-c1ncccn1
Show InChI InChI=1S/C21H23ClN6.ClH/c1-17-18(16-25-28(17)21-23-8-4-9-24-21)5-3-10-26-11-13-27(14-12-26)20-7-2-6-19(22)15-20;/h2-9,15-16H,10-14H2,1H3;1H/b5-3+;
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n/an/a 3.60E+4n/an/an/an/an/an/a



Daiichi Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Concentration of compound required to inhibit tubulin polymerization (Microtubule assembly) was determined by the turbidity formation after 20 min of...


Bioorg Med Chem Lett 12: 3191-3 (2002)


Article DOI: 10.1016/s0960-894x(02)00568-1
More data for this
Ligand-Target Pair