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Compile Data Set for Download or QSAR

Found 90 hits with Last Name = 'fujino' and Initial = 'y'   
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
Aurora kinase A


(Homo sapiens (Human))
BDBM50343939
PNG
((S)-2-(6-hydroxy-6-methylheptan-2-ylamino)-4-methy...)
Show SMILES C[C@@H](CCCC(C)(C)O)Nc1nc(Nc2cc(C)n[nH]2)cc(C)c1C#N |r|
Show InChI InChI=1S/C19H28N6O/c1-12-9-16(22-17-10-14(3)24-25-17)23-18(15(12)11-20)21-13(2)7-6-8-19(4,5)26/h9-10,13,26H,6-8H2,1-5H3,(H3,21,22,23,24,25)/t13-/m0/s1
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0.590n/an/an/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of aurora A


Bioorg Med Chem Lett 20: 4709-11 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.119
BindingDB Entry DOI: 10.7270/Q2RF5VC3
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM13534
PNG
(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)
Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
Show InChI InChI=1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29)
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0.600n/an/an/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of aurora A


Bioorg Med Chem Lett 20: 4709-11 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.119
BindingDB Entry DOI: 10.7270/Q2RF5VC3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aurora kinase A


(Homo sapiens (Human))
BDBM50343938
PNG
(CHEMBL1778662 | rac-2-(6-hydroxy-6-methylheptan-2-...)
Show SMILES CC(CCCC(C)(C)O)Nc1nc(Nc2cc(C)n[nH]2)cc(C)c1C#N
Show InChI InChI=1S/C19H28N6O/c1-12-9-16(22-17-10-14(3)24-25-17)23-18(15(12)11-20)21-13(2)7-6-8-19(4,5)26/h9-10,13,26H,6-8H2,1-5H3,(H3,21,22,23,24,25)
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1.20n/an/an/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of aurora A


Bioorg Med Chem Lett 20: 4709-11 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.119
BindingDB Entry DOI: 10.7270/Q2RF5VC3
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM13534
PNG
(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)
Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
Show InChI InChI=1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29)
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2n/an/an/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of aurora A


Bioorg Med Chem Lett 20: 4709-11 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.119
BindingDB Entry DOI: 10.7270/Q2RF5VC3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Aurora kinase A


(Homo sapiens (Human))
BDBM50343947
PNG
(2-(6-hydroxy-6-methylheptylamino)-4-methyl-6-(5-me...)
Show SMILES Cc1cc(Nc2cc(C)c(C#N)c(NCCCCCC(C)(C)O)n2)[nH]n1
Show InChI InChI=1S/C19H28N6O/c1-13-10-16(22-17-11-14(2)24-25-17)23-18(15(13)12-20)21-9-7-5-6-8-19(3,4)26/h10-11,26H,5-9H2,1-4H3,(H3,21,22,23,24,25)
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2.30n/an/an/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of aurora A


Bioorg Med Chem Lett 20: 4709-11 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.119
BindingDB Entry DOI: 10.7270/Q2RF5VC3
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50343941
PNG
(2-(hexylthio)-4-methyl-6-(5-methyl-1H-pyrazol-3-yl...)
Show SMILES CCCCCCSc1nc(Nc2cc(C)n[nH]2)cc(C)c1C#N
Show InChI InChI=1S/C17H23N5S/c1-4-5-6-7-8-23-17-14(11-18)12(2)9-15(20-17)19-16-10-13(3)21-22-16/h9-10H,4-8H2,1-3H3,(H2,19,20,21,22)
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3.80n/an/an/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of aurora A


Bioorg Med Chem Lett 20: 4709-11 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.119
BindingDB Entry DOI: 10.7270/Q2RF5VC3
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50343945
PNG
(2-(6-hydroxyhexylamino)-4-methyl-6-(5-methyl-1H-py...)
Show SMILES Cc1cc(Nc2cc(C)c(C#N)c(NCCCCCCO)n2)[nH]n1
Show InChI InChI=1S/C17H24N6O/c1-12-9-15(20-16-10-13(2)22-23-16)21-17(14(12)11-18)19-7-5-3-4-6-8-24/h9-10,24H,3-8H2,1-2H3,(H3,19,20,21,22,23)
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4.5n/an/an/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of aurora A


Bioorg Med Chem Lett 20: 4709-11 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.119
BindingDB Entry DOI: 10.7270/Q2RF5VC3
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora-C


(Homo sapiens (Human))
BDBM13534
PNG
(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)
Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
Show InChI InChI=1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29)
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4.60n/an/an/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of aurora C


Bioorg Med Chem Lett 20: 4709-11 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.119
BindingDB Entry DOI: 10.7270/Q2RF5VC3
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50343937
PNG
(CHEMBL1780257 | N-(4-(3-cyano-4-methyl-6-(5-methyl...)
Show SMILES CC(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)cc(C)c2C#N)cc1
Show InChI InChI=1S/C19H18N6OS/c1-11-8-17(22-18-9-12(2)24-25-18)23-19(16(11)10-20)27-15-6-4-14(5-7-15)21-13(3)26/h4-9H,1-3H3,(H,21,26)(H2,22,23,24,25)
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5.30n/an/an/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of aurora A


Bioorg Med Chem Lett 20: 4709-11 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.119
BindingDB Entry DOI: 10.7270/Q2RF5VC3
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50343942
PNG
(2-(6-hydroxyhexylthio)-4-methyl-6-(5-methyl-1H-pyr...)
Show SMILES Cc1cc(Nc2cc(C)c(C#N)c(SCCCCCCO)n2)[nH]n1
Show InChI InChI=1S/C17H23N5OS/c1-12-9-15(19-16-10-13(2)21-22-16)20-17(14(12)11-18)24-8-6-4-3-5-7-23/h9-10,23H,3-8H2,1-2H3,(H2,19,20,21,22)
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8.5n/an/an/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of aurora A


Bioorg Med Chem Lett 20: 4709-11 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.119
BindingDB Entry DOI: 10.7270/Q2RF5VC3
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50343946
PNG
(2-(6-hydroxy-6-methylheptylthio)-4-methyl-6-(5-met...)
Show SMILES Cc1cc(Nc2cc(C)c(C#N)c(SCCCCCC(C)(C)O)n2)[nH]n1
Show InChI InChI=1S/C19H27N5OS/c1-13-10-16(21-17-11-14(2)23-24-17)22-18(15(13)12-20)26-9-7-5-6-8-19(3,4)25/h10-11,25H,5-9H2,1-4H3,(H2,21,22,23,24)
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9.70n/an/an/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of aurora A


Bioorg Med Chem Lett 20: 4709-11 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.119
BindingDB Entry DOI: 10.7270/Q2RF5VC3
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM13534
PNG
(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)
Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
Show InChI InChI=1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29)
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18n/an/an/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of aurora B


Bioorg Med Chem Lett 20: 4709-11 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.119
BindingDB Entry DOI: 10.7270/Q2RF5VC3
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50343944
PNG
(2-(2-hydroxyethylamino)-4-methyl-6-(5-methyl-1H-py...)
Show SMILES Cc1cc(Nc2cc(C)c(C#N)c(NCCO)n2)[nH]n1
Show InChI InChI=1S/C13H16N6O/c1-8-5-11(16-12-6-9(2)18-19-12)17-13(10(8)7-14)15-3-4-20/h5-6,20H,3-4H2,1-2H3,(H3,15,16,17,18,19)
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20n/an/an/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of aurora A


Bioorg Med Chem Lett 20: 4709-11 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.119
BindingDB Entry DOI: 10.7270/Q2RF5VC3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Yes


(Homo sapiens (Human))
BDBM50343938
PNG
(CHEMBL1778662 | rac-2-(6-hydroxy-6-methylheptan-2-...)
Show SMILES CC(CCCC(C)(C)O)Nc1nc(Nc2cc(C)n[nH]2)cc(C)c1C#N
Show InChI InChI=1S/C19H28N6O/c1-12-9-16(22-17-10-14(3)24-25-17)23-18(15(12)11-20)21-13(2)7-6-8-19(4,5)26/h9-10,13,26H,6-8H2,1-5H3,(H3,21,22,23,24,25)
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24n/an/an/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of Yes


Bioorg Med Chem Lett 20: 4709-11 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.119
BindingDB Entry DOI: 10.7270/Q2RF5VC3
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50343938
PNG
(CHEMBL1778662 | rac-2-(6-hydroxy-6-methylheptan-2-...)
Show SMILES CC(CCCC(C)(C)O)Nc1nc(Nc2cc(C)n[nH]2)cc(C)c1C#N
Show InChI InChI=1S/C19H28N6O/c1-12-9-16(22-17-10-14(3)24-25-17)23-18(15(12)11-20)21-13(2)7-6-8-19(4,5)26/h9-10,13,26H,6-8H2,1-5H3,(H3,21,22,23,24,25)
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26n/an/an/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of c-SRC


Bioorg Med Chem Lett 20: 4709-11 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.119
BindingDB Entry DOI: 10.7270/Q2RF5VC3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Fyn


(Homo sapiens (Human))
BDBM50343938
PNG
(CHEMBL1778662 | rac-2-(6-hydroxy-6-methylheptan-2-...)
Show SMILES CC(CCCC(C)(C)O)Nc1nc(Nc2cc(C)n[nH]2)cc(C)c1C#N
Show InChI InChI=1S/C19H28N6O/c1-12-9-16(22-17-10-14(3)24-25-17)23-18(15(12)11-20)21-13(2)7-6-8-19(4,5)26/h9-10,13,26H,6-8H2,1-5H3,(H3,21,22,23,24,25)
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28n/an/an/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of Fyn


Bioorg Med Chem Lett 20: 4709-11 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.119
BindingDB Entry DOI: 10.7270/Q2RF5VC3
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50343943
PNG
(2-(6-aminohexylthio)-4-methyl-6-(5-methyl-1H-pyraz...)
Show SMILES Cc1cc(Nc2cc(C)c(C#N)c(SCCCCCCN)n2)[nH]n1
Show InChI InChI=1S/C17H24N6S/c1-12-9-15(20-16-10-13(2)22-23-16)21-17(14(12)11-19)24-8-6-4-3-5-7-18/h9-10H,3-8,18H2,1-2H3,(H2,20,21,22,23)
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28n/an/an/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of aurora A


Bioorg Med Chem Lett 20: 4709-11 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.119
BindingDB Entry DOI: 10.7270/Q2RF5VC3
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM13534
PNG
(CHEMBL572878 | N-[4-({4-[(3-methyl-1H-pyrazol-5-yl...)
Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
Show InChI InChI=1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29)
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30n/an/an/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of Flt3


Bioorg Med Chem Lett 20: 4709-11 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.119
BindingDB Entry DOI: 10.7270/Q2RF5VC3
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50343940
PNG
((R)-2-(6-hydroxy-6-methylheptan-2-ylamino)-4-methy...)
Show SMILES C[C@H](CCCC(C)(C)O)Nc1nc(Nc2cc(C)n[nH]2)cc(C)c1C#N |r|
Show InChI InChI=1S/C19H28N6O/c1-12-9-16(22-17-10-14(3)24-25-17)23-18(15(12)11-20)21-13(2)7-6-8-19(4,5)26/h9-10,13,26H,6-8H2,1-5H3,(H3,21,22,23,24,25)/t13-/m1/s1
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66n/an/an/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of aurora A


Bioorg Med Chem Lett 20: 4709-11 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.119
BindingDB Entry DOI: 10.7270/Q2RF5VC3
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50343938
PNG
(CHEMBL1778662 | rac-2-(6-hydroxy-6-methylheptan-2-...)
Show SMILES CC(CCCC(C)(C)O)Nc1nc(Nc2cc(C)n[nH]2)cc(C)c1C#N
Show InChI InChI=1S/C19H28N6O/c1-12-9-16(22-17-10-14(3)24-25-17)23-18(15(12)11-20)21-13(2)7-6-8-19(4,5)26/h9-10,13,26H,6-8H2,1-5H3,(H3,21,22,23,24,25)
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101n/an/an/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of aurora B


Bioorg Med Chem Lett 20: 4709-11 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.119
BindingDB Entry DOI: 10.7270/Q2RF5VC3
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50343936
PNG
(CHEMBL1780256 | N-(4-(3-cyano-6-(5-methyl-1H-pyraz...)
Show SMILES CC(C)C(=O)Nc1ccc(Sc2nc(Nc3cc(C)n[nH]3)cc(-c3ccccc3)c2C#N)cc1
Show InChI InChI=1S/C26H24N6OS/c1-16(2)25(33)28-19-9-11-20(12-10-19)34-26-22(15-27)21(18-7-5-4-6-8-18)14-23(30-26)29-24-13-17(3)31-32-24/h4-14,16H,1-3H3,(H,28,33)(H2,29,30,31,32)
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310n/an/an/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of aurora A


Bioorg Med Chem Lett 20: 4709-11 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.119
BindingDB Entry DOI: 10.7270/Q2RF5VC3
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50277584
PNG
(CHEMBL482968 | N-(5-methyl-1H-pyrazol-3-yl)-6-(4-m...)
Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(C=Cc2ccccc2)n1 |w:19.20|
Show InChI InChI=1S/C21H25N7/c1-16-14-20(26-25-16)23-19-15-21(28-12-10-27(2)11-13-28)24-18(22-19)9-8-17-6-4-3-5-7-17/h3-9,14-15H,10-13H2,1-2H3,(H2,22,23,24,25,26)
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n/an/a 14n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of aurora A


Bioorg Med Chem Lett 20: 4709-11 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.119
BindingDB Entry DOI: 10.7270/Q2RF5VC3
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50277584
PNG
(CHEMBL482968 | N-(5-methyl-1H-pyrazol-3-yl)-6-(4-m...)
Show SMILES CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(C=Cc2ccccc2)n1 |w:19.20|
Show InChI InChI=1S/C21H25N7/c1-16-14-20(26-25-16)23-19-15-21(28-12-10-27(2)11-13-28)24-18(22-19)9-8-17-6-4-3-5-7-17/h3-9,14-15H,10-13H2,1-2H3,(H2,22,23,24,25,26)
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n/an/a 290n/an/an/an/an/an/a



Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL


Assay Description
Inhibition of aurora B


Bioorg Med Chem Lett 20: 4709-11 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.119
BindingDB Entry DOI: 10.7270/Q2RF5VC3
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50104486
PNG
(CHEMBL432562 | [(S)-1-[(S)-1-{12-[(2-Chloro-phenox...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1cc2ccccc2[nH]1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCCCCCCCCCOP(O)(=O)Oc1ccccc1Cl
Show InChI InChI=1S/C45H59ClN5O8P/c1-45(2,3)58-44(54)51-40(30-34-28-32-20-12-15-23-37(32)49-34)43(53)50-39(29-33-31-48-38-24-16-13-21-35(33)38)42(52)47-26-18-10-8-6-4-5-7-9-11-19-27-57-60(55,56)59-41-25-17-14-22-36(41)46/h12-17,20-25,28,31,39-40,48-49H,4-11,18-19,26-27,29-30H2,1-3H3,(H,47,52)(H,50,53)(H,51,54)(H,55,56)/t39-,40-/m0/s1
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n/an/a 300n/an/an/an/an/an/a



Kyushu University

Curated by ChEMBL


Assay Description
Inhibitory activity against telomerase extracted from HCT 116 cell lines


Bioorg Med Chem Lett 11: 2581-4 (2001)


BindingDB Entry DOI: 10.7270/Q2XD10Z2
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50097316
PNG
(CHEMBL351995 | Phosphoric acid 12-(2-{1-[2-(5-chlo...)
Show SMILES OP(=O)(OCCCCCCCCCCCCNC(=O)Cc1cn(CCn2ccc3cc(Cl)ccc23)c2ccccc12)Oc1cccc(Cl)c1
Show InChI InChI=1S/C38H46Cl2N3O5P/c39-32-14-13-15-34(28-32)48-49(45,46)47-25-12-8-6-4-2-1-3-5-7-11-21-41-38(44)27-31-29-43(37-17-10-9-16-35(31)37)24-23-42-22-20-30-26-33(40)18-19-36(30)42/h9-10,13-20,22,26,28-29H,1-8,11-12,21,23-25,27H2,(H,41,44)(H,45,46)
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n/an/a 2.50E+3n/an/an/an/an/an/a



Kyushu University

Curated by ChEMBL


Assay Description
Inhibitory concentration against human telomerase


Bioorg Med Chem Lett 11: 583-5 (2001)


BindingDB Entry DOI: 10.7270/Q2XK8DV2
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50097324
PNG
(CHEMBL413033 | Phosphoric acid 3-chloro-phenyl est...)
Show SMILES Cc1cn(CCCn2cc(CC(=O)NCCCCCCCCCCCCOP(O)(=O)Oc3cccc(Cl)c3)c3ccccc23)c2ccccc12
Show InChI InChI=1S/C40H51ClN3O5P/c1-32-30-43(38-22-12-10-20-36(32)38)25-17-26-44-31-33(37-21-11-13-23-39(37)44)28-40(45)42-24-14-8-6-4-2-3-5-7-9-15-27-48-50(46,47)49-35-19-16-18-34(41)29-35/h10-13,16,18-23,29-31H,2-9,14-15,17,24-28H2,1H3,(H,42,45)(H,46,47)
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n/an/a 3.40E+3n/an/an/an/an/an/a



Kyushu University

Curated by ChEMBL


Assay Description
Inhibition of human geranylgeranyltransferase-I


Bioorg Med Chem Lett 11: 583-5 (2001)


BindingDB Entry DOI: 10.7270/Q2XK8DV2
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50104475
PNG
(CHEMBL83388 | Phosphoric acid 2-chloro-phenyl este...)
Show SMILES Cc1cn(CCCn2cc(CC(=O)NCCCCCCCCCCCCOP(O)(=O)Oc3ccccc3Cl)c3ccccc23)c2ccccc12
Show InChI InChI=1S/C40H51ClN3O5P/c1-32-30-43(37-22-13-10-19-34(32)37)26-18-27-44-31-33(35-20-11-14-23-38(35)44)29-40(45)42-25-16-8-6-4-2-3-5-7-9-17-28-48-50(46,47)49-39-24-15-12-21-36(39)41/h10-15,19-24,30-31H,2-9,16-18,25-29H2,1H3,(H,42,45)(H,46,47)
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n/an/a 3.60E+3n/an/an/an/an/an/a



Kyushu University

Curated by ChEMBL


Assay Description
Inhibitory activity against telomerase extracted from HCT 116 cell lines


Bioorg Med Chem Lett 11: 2581-4 (2001)


BindingDB Entry DOI: 10.7270/Q2XD10Z2
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50104490
PNG
(CHEMBL314864 | [(R)-1-{12-[(2-Chloro-phenoxy)-hydr...)
Show SMILES OP(=O)(OCCCCCCCCCCCCNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1)Oc1ccccc1Cl
Show InChI InChI=1S/C37H47ClN3O7P/c38-32-21-13-15-23-35(32)48-49(44,45)47-25-17-8-6-4-2-1-3-5-7-16-24-39-36(42)34(26-30-27-40-33-22-14-12-20-31(30)33)41-37(43)46-28-29-18-10-9-11-19-29/h9-15,18-23,27,34,40H,1-8,16-17,24-26,28H2,(H,39,42)(H,41,43)(H,44,45)/t34-/m1/s1
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n/an/a 3.60E+3n/an/an/an/an/an/a



Kyushu University

Curated by ChEMBL


Assay Description
Inhibitory activity against telomerase extracted from HCT 116 cell lines


Bioorg Med Chem Lett 11: 2581-4 (2001)


BindingDB Entry DOI: 10.7270/Q2XD10Z2
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50097326
PNG
((2-Chloro-phenyl)-phosphonic acid mono-(11-{2-[1-(...)
Show SMILES OP(=O)(OCCCCCCCCCCCNC(=O)Cc1cn(CCCn2cccc2)c2ccccc12)c1ccccc1Cl
Show InChI InChI=1S/C34H45ClN3O4P/c35-31-18-9-11-20-33(31)43(40,41)42-26-15-7-5-3-1-2-4-6-12-21-36-34(39)27-29-28-38(32-19-10-8-17-30(29)32)25-16-24-37-22-13-14-23-37/h8-11,13-14,17-20,22-23,28H,1-7,12,15-16,21,24-27H2,(H,36,39)(H,40,41)
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n/an/a 4.20E+3n/an/an/an/an/an/a



Kyushu University

Curated by ChEMBL


Assay Description
Inhibitory concentration against human telomerase


Bioorg Med Chem Lett 11: 583-5 (2001)


BindingDB Entry DOI: 10.7270/Q2XK8DV2
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50104495
PNG
((R)-4-tert-Butoxycarbonylamino-4-[(R)-1-{12-[(2-ch...)
Show SMILES CC(C)(C)OC(=O)N[C@H](CCC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCCCCCCCCCOP(O)(=O)Oc1ccccc1Cl
Show InChI InChI=1S/C46H62ClN4O10P/c1-46(2,3)60-45(55)51-39(27-28-42(52)58-33-34-21-13-12-14-22-34)44(54)50-40(31-35-32-49-38-25-17-15-23-36(35)38)43(53)48-29-19-10-8-6-4-5-7-9-11-20-30-59-62(56,57)61-41-26-18-16-24-37(41)47/h12-18,21-26,32,39-40,49H,4-11,19-20,27-31,33H2,1-3H3,(H,48,53)(H,50,54)(H,51,55)(H,56,57)/t39-,40-/m1/s1
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n/an/a 6.40E+3n/an/an/an/an/an/a



Kyushu University

Curated by ChEMBL


Assay Description
Inhibitory activity against telomerase extracted from HCT 116 cell lines


Bioorg Med Chem Lett 11: 2581-4 (2001)


BindingDB Entry DOI: 10.7270/Q2XD10Z2
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50097318
PNG
(CHEMBL155030 | Phosphoric acid 12-(2-{1-[2-(5-chlo...)
Show SMILES OP(=O)(OCCCCCCCCCCCCNC(=O)Cc1cn(CCn2ccc3cc(Cl)ccc23)c2ccccc12)Oc1ccccc1
Show InChI InChI=1S/C38H47ClN3O5P/c39-33-20-21-36-31(28-33)22-24-41(36)25-26-42-30-32(35-18-12-13-19-37(35)42)29-38(43)40-23-14-7-5-3-1-2-4-6-8-15-27-46-48(44,45)47-34-16-10-9-11-17-34/h9-13,16-22,24,28,30H,1-8,14-15,23,25-27,29H2,(H,40,43)(H,44,45)
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n/an/a 6.70E+3n/an/an/an/an/an/a



Kyushu University

Curated by ChEMBL


Assay Description
Competitive inhibition against Candida albicans prolyl-tRNA synthetase (Ca. ProRS) with respect to ATP


Bioorg Med Chem Lett 11: 583-5 (2001)


BindingDB Entry DOI: 10.7270/Q2XK8DV2
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50104466
PNG
(CHEMBL314040 | {(R)-1-[(R)-1-{12-[(2-Chloro-phenox...)
Show SMILES CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCCCCCCCCCOP(O)(=O)Oc1ccccc1Cl
Show InChI InChI=1S/C43H58ClN4O8P/c1-43(2,3)55-42(51)48-37(29-32-21-13-12-14-22-32)41(50)47-38(30-33-31-46-36-25-17-15-23-34(33)36)40(49)45-27-19-10-8-6-4-5-7-9-11-20-28-54-57(52,53)56-39-26-18-16-24-35(39)44/h12-18,21-26,31,37-38,46H,4-11,19-20,27-30H2,1-3H3,(H,45,49)(H,47,50)(H,48,51)(H,52,53)/t37-,38-/m1/s1
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n/an/a 6.80E+3n/an/an/an/an/an/a



Kyushu University

Curated by ChEMBL


Assay Description
Inhibitory activity against telomerase extracted from HCT 116 cell lines


Bioorg Med Chem Lett 11: 2581-4 (2001)


BindingDB Entry DOI: 10.7270/Q2XD10Z2
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50104484
PNG
(CHEMBL314057 | Phosphoric acid 12-[(R)-2-benzoylam...)
Show SMILES OP(=O)(OCCCCCCCCCCCCNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1)Oc1ccccc1Cl
Show InChI InChI=1S/C36H45ClN3O6P/c37-31-21-13-15-23-34(31)46-47(43,44)45-25-17-8-6-4-2-1-3-5-7-16-24-38-36(42)33(40-35(41)28-18-10-9-11-19-28)26-29-27-39-32-22-14-12-20-30(29)32/h9-15,18-23,27,33,39H,1-8,16-17,24-26H2,(H,38,42)(H,40,41)(H,43,44)/t33-/m1/s1
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n/an/a 7.30E+3n/an/an/an/an/an/a



Kyushu University

Curated by ChEMBL


Assay Description
Inhibitory activity against telomerase extracted from HCT 116 cell lines


Bioorg Med Chem Lett 11: 2581-4 (2001)


BindingDB Entry DOI: 10.7270/Q2XD10Z2
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50097327
PNG
(CHEMBL345715 | Phosphoric acid 12-(2-{1-[2-(5-chlo...)
Show SMILES OP(=O)(OCCCCCCCCCCCCNC(=O)Cc1cn(CCn2ccc3cc(Cl)ccc23)c2ccccc12)OC1CCCCC1
Show InChI InChI=1S/C38H53ClN3O5P/c39-33-20-21-36-31(28-33)22-24-41(36)25-26-42-30-32(35-18-12-13-19-37(35)42)29-38(43)40-23-14-7-5-3-1-2-4-6-8-15-27-46-48(44,45)47-34-16-10-9-11-17-34/h12-13,18-22,24,28,30,34H,1-11,14-17,23,25-27,29H2,(H,40,43)(H,44,45)
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n/an/a 8.70E+3n/an/an/an/an/an/a



Kyushu University

Curated by ChEMBL


Assay Description
Inhibitory concentration against human telomerase


Bioorg Med Chem Lett 11: 583-5 (2001)


BindingDB Entry DOI: 10.7270/Q2XK8DV2
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50104473
PNG
((R)-2-[(R)-1-{12-[(2-Chloro-phenoxy)-hydroxy-phosp...)
Show SMILES CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCCCCCCCCCOP(O)(=O)Oc1ccccc1Cl
Show InChI InChI=1S/C39H56ClN4O8P/c1-39(2,3)51-38(47)44-25-18-22-34(44)37(46)43-33(27-29-28-42-32-21-14-12-19-30(29)32)36(45)41-24-16-10-8-6-4-5-7-9-11-17-26-50-53(48,49)52-35-23-15-13-20-31(35)40/h12-15,19-21,23,28,33-34,42H,4-11,16-18,22,24-27H2,1-3H3,(H,41,45)(H,43,46)(H,48,49)/t33-,34-/m1/s1
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n/an/a 9.50E+3n/an/an/an/an/an/a



Kyushu University

Curated by ChEMBL


Assay Description
Inhibitory activity against telomerase extracted from HCT 116 cell lines


Bioorg Med Chem Lett 11: 2581-4 (2001)


BindingDB Entry DOI: 10.7270/Q2XD10Z2
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50104489
PNG
(CHEMBL313020 | Phosphoric acid 12-[(S)-2-[(R)-2-am...)
Show SMILES N[C@H](Cc1cc2ccccc2[nH]1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCCCCCCCCCOP(O)(=O)Oc1ccccc1Cl
Show InChI InChI=1S/C40H51ClN5O6P/c41-33-19-11-14-22-38(33)52-53(49,50)51-24-16-8-6-4-2-1-3-5-7-15-23-43-40(48)37(26-30-28-44-36-21-13-10-18-32(30)36)46-39(47)34(42)27-31-25-29-17-9-12-20-35(29)45-31/h9-14,17-22,25,28,34,37,44-45H,1-8,15-16,23-24,26-27,42H2,(H,43,48)(H,46,47)(H,49,50)/t34-,37+/m1/s1
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n/an/a 1.06E+4n/an/an/an/an/an/a



Kyushu University

Curated by ChEMBL


Assay Description
Inhibitory activity against telomerase extracted from HCT 116 cell lines


Bioorg Med Chem Lett 11: 2581-4 (2001)


BindingDB Entry DOI: 10.7270/Q2XD10Z2
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50104464
PNG
(CHEMBL405650 | Phosphoric acid 12-[(S)-2-[(S)-2-am...)
Show SMILES N[C@@H](Cc1cc2ccccc2[nH]1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCCCCCCCCCOP(O)(=O)Oc1ccccc1Cl
Show InChI InChI=1S/C40H51ClN5O6P/c41-33-19-11-14-22-38(33)52-53(49,50)51-24-16-8-6-4-2-1-3-5-7-15-23-43-40(48)37(26-30-28-44-36-21-13-10-18-32(30)36)46-39(47)34(42)27-31-25-29-17-9-12-20-35(29)45-31/h9-14,17-22,25,28,34,37,44-45H,1-8,15-16,23-24,26-27,42H2,(H,43,48)(H,46,47)(H,49,50)/t34-,37-/m0/s1
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n/an/a 1.11E+4n/an/an/an/an/an/a



Kyushu University

Curated by ChEMBL


Assay Description
Inhibitory activity against telomerase extracted from HCT 116 cell lines


Bioorg Med Chem Lett 11: 2581-4 (2001)


BindingDB Entry DOI: 10.7270/Q2XD10Z2
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50104467
PNG
(CHEMBL437042 | {[(R)-1-{12-[(2-Chloro-phenoxy)-hyd...)
Show SMILES OP(=O)(OCCCCCCCCCCCCNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)OCc1ccccc1)Oc1ccccc1Cl
Show InChI InChI=1S/C39H50ClN4O8P/c40-33-21-13-15-23-36(33)52-53(48,49)51-25-17-8-6-4-2-1-3-5-7-16-24-41-38(46)35(26-31-27-42-34-22-14-12-20-32(31)34)44-37(45)28-43-39(47)50-29-30-18-10-9-11-19-30/h9-15,18-23,27,35,42H,1-8,16-17,24-26,28-29H2,(H,41,46)(H,43,47)(H,44,45)(H,48,49)/t35-/m1/s1
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n/an/a 1.21E+4n/an/an/an/an/an/a



Kyushu University

Curated by ChEMBL


Assay Description
Inhibitory activity against telomerase extracted from HCT 116 cell lines


Bioorg Med Chem Lett 11: 2581-4 (2001)


BindingDB Entry DOI: 10.7270/Q2XD10Z2
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50104471
PNG
(CHEMBL87995 | Phosphoric acid 12-[(R)-2-[(R)-2-ami...)
Show SMILES N[C@H](Cc1cc2ccccc2[nH]1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCCCCCCCCCOP(O)(=O)Oc1ccccc1Cl
Show InChI InChI=1S/C40H51ClN5O6P/c41-33-19-11-14-22-38(33)52-53(49,50)51-24-16-8-6-4-2-1-3-5-7-15-23-43-40(48)37(26-30-28-44-36-21-13-10-18-32(30)36)46-39(47)34(42)27-31-25-29-17-9-12-20-35(29)45-31/h9-14,17-22,25,28,34,37,44-45H,1-8,15-16,23-24,26-27,42H2,(H,43,48)(H,46,47)(H,49,50)/t34-,37-/m1/s1
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n/an/a 1.37E+4n/an/an/an/an/an/a



Kyushu University

Curated by ChEMBL


Assay Description
Inhibitory activity against telomerase extracted from HCT 116 cell lines


Bioorg Med Chem Lett 11: 2581-4 (2001)


BindingDB Entry DOI: 10.7270/Q2XD10Z2
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50104469
PNG
(CHEMBL85749 | Phosphoric acid 12-[(S)-2-amino-3-(1...)
Show SMILES N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCCCCCCCCCOP(O)(=O)Oc1ccccc1Cl
Show InChI InChI=1S/C29H41ClN3O5P/c30-25-16-10-12-18-28(25)38-39(35,36)37-20-14-8-6-4-2-1-3-5-7-13-19-32-29(34)26(31)21-23-22-33-27-17-11-9-15-24(23)27/h9-12,15-18,22,26,33H,1-8,13-14,19-21,31H2,(H,32,34)(H,35,36)/t26-/m0/s1
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n/an/a 1.51E+4n/an/an/an/an/an/a



Kyushu University

Curated by ChEMBL


Assay Description
Inhibitory activity against telomerase extracted from HCT 116 cell lines


Bioorg Med Chem Lett 11: 2581-4 (2001)


BindingDB Entry DOI: 10.7270/Q2XD10Z2
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50104457
PNG
(CHEMBL85239 | [(R)-1-{12-[(2-Chloro-phenoxy)-hydro...)
Show SMILES CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCCCCCCCCCOP(O)(=O)Oc1ccccc1Cl
Show InChI InChI=1S/C34H49ClN3O7P/c1-34(2,3)44-33(40)38-30(24-26-25-37-29-20-14-12-18-27(26)29)32(39)36-22-16-10-8-6-4-5-7-9-11-17-23-43-46(41,42)45-31-21-15-13-19-28(31)35/h12-15,18-21,25,30,37H,4-11,16-17,22-24H2,1-3H3,(H,36,39)(H,38,40)(H,41,42)/t30-/m1/s1
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n/an/a 1.83E+4n/an/an/an/an/an/a



Kyushu University

Curated by ChEMBL


Assay Description
Inhibitory activity against telomerase extracted from HCT 116 cell lines


Bioorg Med Chem Lett 11: 2581-4 (2001)


BindingDB Entry DOI: 10.7270/Q2XD10Z2
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50104470
PNG
(CHEMBL431613 | [(R)-1-[(R)-1-{12-[(2-Chloro-phenox...)
Show SMILES CC(C)(C)OC(=O)N[C@H](Cc1cc2ccccc2[nH]1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCCCCCCCCCOP(O)(=O)Oc1ccccc1Cl
Show InChI InChI=1S/C45H59ClN5O8P/c1-45(2,3)58-44(54)51-40(30-34-28-32-20-12-15-23-37(32)49-34)43(53)50-39(29-33-31-48-38-24-16-13-21-35(33)38)42(52)47-26-18-10-8-6-4-5-7-9-11-19-27-57-60(55,56)59-41-25-17-14-22-36(41)46/h12-17,20-25,28,31,39-40,48-49H,4-11,18-19,26-27,29-30H2,1-3H3,(H,47,52)(H,50,53)(H,51,54)(H,55,56)/t39-,40-/m1/s1
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n/an/a 1.89E+4n/an/an/an/an/an/a



Kyushu University

Curated by ChEMBL


Assay Description
Inhibitory activity against telomerase extracted from HCT 116 cell lines


Bioorg Med Chem Lett 11: 2581-4 (2001)


BindingDB Entry DOI: 10.7270/Q2XD10Z2
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50097332
PNG
(12-(2-{1-[3-(3-Methyl-indol-1-yl)-propyl]-1H-indol...)
Show SMILES Cc1cn(CCCn2cc(CC(=O)NCCCCCCCCCCCC(O)=O)c3ccccc23)c2ccccc12
Show InChI InChI=1S/C34H45N3O3/c1-27-25-36(31-18-12-10-16-29(27)31)22-15-23-37-26-28(30-17-11-13-19-32(30)37)24-33(38)35-21-14-8-6-4-2-3-5-7-9-20-34(39)40/h10-13,16-19,25-26H,2-9,14-15,20-24H2,1H3,(H,35,38)(H,39,40)
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n/an/a 2.00E+4n/an/an/an/an/an/a



Kyushu University

Curated by ChEMBL


Assay Description
Inhibitory concentration against human telomerase


Bioorg Med Chem Lett 11: 583-5 (2001)


BindingDB Entry DOI: 10.7270/Q2XK8DV2
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50104465
PNG
(CHEMBL85748 | [(S)-1-{12-[(2-Chloro-phenoxy)-hydro...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCCCCCCCCCOP(O)(=O)Oc1ccccc1Cl
Show InChI InChI=1S/C34H49ClN3O7P/c1-34(2,3)44-33(40)38-30(24-26-25-37-29-20-14-12-18-27(26)29)32(39)36-22-16-10-8-6-4-5-7-9-11-17-23-43-46(41,42)45-31-21-15-13-19-28(31)35/h12-15,18-21,25,30,37H,4-11,16-17,22-24H2,1-3H3,(H,36,39)(H,38,40)(H,41,42)/t30-/m0/s1
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n/an/a 2.07E+4n/an/an/an/an/an/a



Kyushu University

Curated by ChEMBL


Assay Description
Inhibitory activity against telomerase extracted from HCT 116 cell lines


Bioorg Med Chem Lett 11: 2581-4 (2001)


BindingDB Entry DOI: 10.7270/Q2XD10Z2
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50104478
PNG
(CHEMBL409072 | Phosphoric acid 12-[(R)-2-((R)-2-am...)
Show SMILES N[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCCCCCCCCCOP(O)(=O)Oc1ccccc1Cl
Show InChI InChI=1S/C38H50ClN4O6P/c39-32-21-13-15-23-36(32)49-50(46,47)48-25-17-8-6-4-2-1-3-5-7-16-24-41-38(45)35(27-30-28-42-34-22-14-12-20-31(30)34)43-37(44)33(40)26-29-18-10-9-11-19-29/h9-15,18-23,28,33,35,42H,1-8,16-17,24-27,40H2,(H,41,45)(H,43,44)(H,46,47)/t33-,35-/m1/s1
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n/an/a 2.21E+4n/an/an/an/an/an/a



Kyushu University

Curated by ChEMBL


Assay Description
Inhibitory activity against telomerase extracted from HCT 116 cell lines


Bioorg Med Chem Lett 11: 2581-4 (2001)


BindingDB Entry DOI: 10.7270/Q2XD10Z2
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50104497
PNG
(CHEMBL87116 | Phosphoric acid 12-[(R)-2-[(R)-2-ace...)
Show SMILES CC(=O)N[C@H](Cc1cc2ccccc2[nH]1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCCCCCCCCCCCCOP(O)(=O)Oc1ccccc1Cl
Show InChI InChI=1S/C42H53ClN5O7P/c1-30(49)46-39(28-33-26-31-18-10-13-21-36(31)47-33)42(51)48-38(27-32-29-45-37-22-14-11-19-34(32)37)41(50)44-24-16-8-6-4-2-3-5-7-9-17-25-54-56(52,53)55-40-23-15-12-20-35(40)43/h10-15,18-23,26,29,38-39,45,47H,2-9,16-17,24-25,27-28H2,1H3,(H,44,50)(H,46,49)(H,48,51)(H,52,53)/t38-,39-/m1/s1
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n/an/a 2.29E+4n/an/an/an/an/an/a



Kyushu University

Curated by ChEMBL


Assay Description
Inhibitory activity against telomerase extracted from HCT 116 cell lines


Bioorg Med Chem Lett 11: 2581-4 (2001)


BindingDB Entry DOI: 10.7270/Q2XD10Z2
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50104483
PNG
(CHEMBL313009 | Phosphoric acid 2-chloro-phenyl est...)
Show SMILES Cc1cn(CCCn2cc(CC(=O)NCCCCCCOP(O)(=O)Oc3ccccc3Cl)c3ccccc23)c2ccccc12
Show InChI InChI=1S/C34H39ClN3O5P/c1-26-24-37(31-16-7-4-13-28(26)31)20-12-21-38-25-27(29-14-5-8-17-32(29)38)23-34(39)36-19-10-2-3-11-22-42-44(40,41)43-33-18-9-6-15-30(33)35/h4-9,13-18,24-25H,2-3,10-12,19-23H2,1H3,(H,36,39)(H,40,41)
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n/an/a 2.94E+4n/an/an/an/an/an/a



Kyushu University

Curated by ChEMBL


Assay Description
Inhibitory activity against telomerase extracted from HCT 116 cell lines


Bioorg Med Chem Lett 11: 2581-4 (2001)


BindingDB Entry DOI: 10.7270/Q2XD10Z2
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50104499
PNG
(CHEMBL313818 | Phosphoric acid 2-chloro-phenyl est...)
Show SMILES OP(=O)(OCCCCCCCCCCCCNC(=O)CCCc1c[nH]c2ccccc12)Oc1ccccc1Cl
Show InChI InChI=1S/C30H42ClN2O5P/c31-27-18-10-12-20-29(27)38-39(35,36)37-23-14-8-6-4-2-1-3-5-7-13-22-32-30(34)21-15-16-25-24-33-28-19-11-9-17-26(25)28/h9-12,17-20,24,33H,1-8,13-16,21-23H2,(H,32,34)(H,35,36)
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n/an/a 2.97E+4n/an/an/an/an/an/a



Kyushu University

Curated by ChEMBL


Assay Description
Inhibitory activity against telomerase extracted from HCT 116 cell lines


Bioorg Med Chem Lett 11: 2581-4 (2001)


BindingDB Entry DOI: 10.7270/Q2XD10Z2
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50097320
PNG
(12-{2-[1-(3-Phenoxy-propyl)-1H-indol-3-yl]-acetyla...)
Show SMILES OC(=O)CCCCCCCCCCCNC(=O)Cc1cn(CCCOc2ccccc2)c2ccccc12
Show InChI InChI=1S/C31H42N2O4/c34-30(32-21-14-7-5-3-1-2-4-6-11-20-31(35)36)24-26-25-33(29-19-13-12-18-28(26)29)22-15-23-37-27-16-9-8-10-17-27/h8-10,12-13,16-19,25H,1-7,11,14-15,20-24H2,(H,32,34)(H,35,36)
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n/an/a 3.30E+4n/an/an/an/an/an/a



Kyushu University

Curated by ChEMBL


Assay Description
Inhibitory concentration against human telomerase


Bioorg Med Chem Lett 11: 583-5 (2001)


BindingDB Entry DOI: 10.7270/Q2XK8DV2
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50104485
PNG
(CHEMBL86349 | Phosphoric acid 2-chloro-phenyl este...)
Show SMILES OP(=O)(OCCCCCCCCCCCCNC(=O)Cc1c[nH]c2ccccc12)Oc1ccccc1Cl
Show InChI InChI=1S/C28H38ClN2O5P/c29-25-16-10-12-18-27(25)36-37(33,34)35-20-14-8-6-4-2-1-3-5-7-13-19-30-28(32)21-23-22-31-26-17-11-9-15-24(23)26/h9-12,15-18,22,31H,1-8,13-14,19-21H2,(H,30,32)(H,33,34)
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n/an/a 3.39E+4n/an/an/an/an/an/a



Kyushu University

Curated by ChEMBL


Assay Description
Inhibitory activity against telomerase extracted from HCT 116 cell lines


Bioorg Med Chem Lett 11: 2581-4 (2001)


BindingDB Entry DOI: 10.7270/Q2XD10Z2
More data for this
Ligand-Target Pair
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