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PubMed code 25036791

Compile data set for download or QSAR
Found 56 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
Platelet-derived growth factor receptor


(Homo sapiens (Human))
BDBM50051941
PNG
(CHEMBL3322565)
Show SMILES COc1ccc(NC(=O)CC(=O)Nc2ccc3\C(=C\c4[nH]c(C)c(C(O)=O)c4C)C(=O)Nc3c2)cc1
Show InChI InChI=1S/C26H24N4O6/c1-13-20(27-14(2)24(13)26(34)35)11-19-18-9-6-16(10-21(18)30-25(19)33)29-23(32)12-22(31)28-15-4-7-17(36-3)8-5-15/h4-11,27H,12H2,1-3H3,(H,28,31)(H,29,32)(H,30,33)(H,34,35)/b19-11-
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n/an/a<1n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of PDGFRalpha (unknown origin) using EAIYAAPFAKKK substrate by radioisotope-based P81 filter-binding assay


Eur J Med Chem 84: 312-34 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.033
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor


(Homo sapiens (Human))
BDBM50051957
PNG
(CHEMBL3322566)
Show SMILES COc1ccc(NC(=O)CC(=O)Nc2ccc3\C(=C\c4[nH]c(C)c(C(=O)NCCN5CCCC5)c4C)C(=O)Nc3c2)cc1
Show InChI InChI=1S/C32H36N6O5/c1-19-26(34-20(2)30(19)32(42)33-12-15-38-13-4-5-14-38)17-25-24-11-8-22(16-27(24)37-31(25)41)36-29(40)18-28(39)35-21-6-9-23(43-3)10-7-21/h6-11,16-17,34H,4-5,12-15,18H2,1-3H3,(H,33,42)(H,35,39)(H,36,40)(H,37,41)/b25-17-
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n/an/a<1n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of PDGFRalpha (unknown origin) using EAIYAAPFAKKK substrate by radioisotope-based P81 filter-binding assay


Eur J Med Chem 84: 312-34 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.033
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50051957
PNG
(CHEMBL3322566)
Show SMILES COc1ccc(NC(=O)CC(=O)Nc2ccc3\C(=C\c4[nH]c(C)c(C(=O)NCCN5CCCC5)c4C)C(=O)Nc3c2)cc1
Show InChI InChI=1S/C32H36N6O5/c1-19-26(34-20(2)30(19)32(42)33-12-15-38-13-4-5-14-38)17-25-24-11-8-22(16-27(24)37-31(25)41)36-29(40)18-28(39)35-21-6-9-23(43-3)10-7-21/h6-11,16-17,34H,4-5,12-15,18H2,1-3H3,(H,33,42)(H,35,39)(H,36,40)(H,37,41)/b25-17-
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n/an/a 1.5n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta (unknown origin) using EAIYAAPFAKKK substrate by radioisotope-based P81 filter-binding assay


Eur J Med Chem 84: 312-34 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.033
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50051957
PNG
(CHEMBL3322566)
Show SMILES COc1ccc(NC(=O)CC(=O)Nc2ccc3\C(=C\c4[nH]c(C)c(C(=O)NCCN5CCCC5)c4C)C(=O)Nc3c2)cc1
Show InChI InChI=1S/C32H36N6O5/c1-19-26(34-20(2)30(19)32(42)33-12-15-38-13-4-5-14-38)17-25-24-11-8-22(16-27(24)37-31(25)41)36-29(40)18-28(39)35-21-6-9-23(43-3)10-7-21/h6-11,16-17,34H,4-5,12-15,18H2,1-3H3,(H,33,42)(H,35,39)(H,36,40)(H,37,41)/b25-17-
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n/an/a 2.10n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of Flt3 (unknown origin) using EAIYAAPFAKKK substrate by radioisotope-based P81 filter-binding assay


Eur J Med Chem 84: 312-34 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.033
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50052075
PNG
(CHEMBL3322595)
Show SMILES Cc1[nH]c(\C=C2/C(=O)Nc3cc(NC(=O)c4c[nH]cc(-c5ccc(F)cc5)c4=O)ccc23)c(C)c1C(=O)N1CCOCC1
Show InChI InChI=1S/C32H28FN5O5/c1-17-26(35-18(2)28(17)32(42)38-9-11-43-12-10-38)14-23-22-8-7-21(13-27(22)37-30(23)40)36-31(41)25-16-34-15-24(29(25)39)19-3-5-20(33)6-4-19/h3-8,13-16,35H,9-12H2,1-2H3,(H,34,39)(H,36,41)(H,37,40)/b23-14-
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n/an/a 2.90n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of Aurora B (unknown origin) using H-LRRASLG substrate by radioisotope-based P81 filter-binding assay


Eur J Med Chem 84: 312-34 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.033
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50052072
PNG
(CHEMBL3322592)
Show SMILES COc1ccc(cc1)-c1c[nH]cc(C(=O)Nc2ccc3\C(=C\c4[nH]c(C)c(C(O)=O)c4C)C(=O)Nc3c2)c1=O
Show InChI InChI=1S/C29H24N4O6/c1-14-23(31-15(2)25(14)29(37)38)11-20-19-9-6-17(10-24(19)33-27(20)35)32-28(36)22-13-30-12-21(26(22)34)16-4-7-18(39-3)8-5-16/h4-13,31H,1-3H3,(H,30,34)(H,32,36)(H,33,35)(H,37,38)/b20-11-
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n/an/a 4.5n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of Aurora B (unknown origin) using H-LRRASLG substrate by radioisotope-based P81 filter-binding assay


Eur J Med Chem 84: 312-34 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.033
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50051941
PNG
(CHEMBL3322565)
Show SMILES COc1ccc(NC(=O)CC(=O)Nc2ccc3\C(=C\c4[nH]c(C)c(C(O)=O)c4C)C(=O)Nc3c2)cc1
Show InChI InChI=1S/C26H24N4O6/c1-13-20(27-14(2)24(13)26(34)35)11-19-18-9-6-16(10-21(18)30-25(19)33)29-23(32)12-22(31)28-15-4-7-17(36-3)8-5-15/h4-11,27H,12H2,1-3H3,(H,28,31)(H,29,32)(H,30,33)(H,34,35)/b19-11-
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n/an/a 5.90n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of Aurora B (unknown origin) using H-LRRASLG substrate by radioisotope-based P81 filter-binding assay


Eur J Med Chem 84: 312-34 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.033
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50051941
PNG
(CHEMBL3322565)
Show SMILES COc1ccc(NC(=O)CC(=O)Nc2ccc3\C(=C\c4[nH]c(C)c(C(O)=O)c4C)C(=O)Nc3c2)cc1
Show InChI InChI=1S/C26H24N4O6/c1-13-20(27-14(2)24(13)26(34)35)11-19-18-9-6-16(10-21(18)30-25(19)33)29-23(32)12-22(31)28-15-4-7-17(36-3)8-5-15/h4-11,27H,12H2,1-3H3,(H,28,31)(H,29,32)(H,30,33)(H,34,35)/b19-11-
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n/an/a 6.40n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of Flt3 (unknown origin) using EAIYAAPFAKKK substrate by radioisotope-based P81 filter-binding assay


Eur J Med Chem 84: 312-34 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.033
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor


(Homo sapiens (Human))
BDBM50051942
PNG
(CHEMBL3322563)
Show SMILES Fc1ccc(NC(=O)CC(=O)Nc2ccc3\C(=C\c4ccc[nH]4)C(=O)Nc3c2)cc1
Show InChI InChI=1S/C22H17FN4O3/c23-13-3-5-14(6-4-13)25-20(28)12-21(29)26-16-7-8-17-18(10-15-2-1-9-24-15)22(30)27-19(17)11-16/h1-11,24H,12H2,(H,25,28)(H,26,29)(H,27,30)/b18-10-
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n/an/a 7.20n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of PDGFRalpha (unknown origin) using EAIYAAPFAKKK substrate by radioisotope-based P81 filter-binding assay


Eur J Med Chem 84: 312-34 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.033
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50051941
PNG
(CHEMBL3322565)
Show SMILES COc1ccc(NC(=O)CC(=O)Nc2ccc3\C(=C\c4[nH]c(C)c(C(O)=O)c4C)C(=O)Nc3c2)cc1
Show InChI InChI=1S/C26H24N4O6/c1-13-20(27-14(2)24(13)26(34)35)11-19-18-9-6-16(10-21(18)30-25(19)33)29-23(32)12-22(31)28-15-4-7-17(36-3)8-5-15/h4-11,27H,12H2,1-3H3,(H,28,31)(H,29,32)(H,30,33)(H,34,35)/b19-11-
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n/an/a 8.10n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta (unknown origin) using EAIYAAPFAKKK substrate by radioisotope-based P81 filter-binding assay


Eur J Med Chem 84: 312-34 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.033
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50051940
PNG
(CHEMBL3322572)
Show SMILES Fc1ccc(cc1)-n1cccc(C(=O)Nc2ccc3\C(=C\c4ccc[nH]4)C(=O)Nc3c2)c1=O
Show InChI InChI=1S/C25H17FN4O3/c26-15-5-8-18(9-6-15)30-12-2-4-20(25(30)33)23(31)28-17-7-10-19-21(13-16-3-1-11-27-16)24(32)29-22(19)14-17/h1-14,27H,(H,28,31)(H,29,32)/b21-13-
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n/an/a 8.60n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of Flt3 (unknown origin) using EAIYAAPFAKKK substrate by radioisotope-based P81 filter-binding assay


Eur J Med Chem 84: 312-34 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.033
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50052032
PNG
(CHEMBL3322584)
Show SMILES COc1ccc(cc1)-c1c[nH]cc(C(=O)Nc2ccc3\C(=C\c4ccc[nH]4)C(=O)Nc3c2)c1=O
Show InChI InChI=1S/C26H20N4O4/c1-34-18-7-4-15(5-8-18)21-13-27-14-22(24(21)31)26(33)29-17-6-9-19-20(11-16-3-2-10-28-16)25(32)30-23(19)12-17/h2-14,28H,1H3,(H,27,31)(H,29,33)(H,30,32)/b20-11-
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n/an/a 10n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of Aurora B (unknown origin) using H-LRRASLG substrate by radioisotope-based P81 filter-binding assay


Eur J Med Chem 84: 312-34 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.033
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50051957
PNG
(CHEMBL3322566)
Show SMILES COc1ccc(NC(=O)CC(=O)Nc2ccc3\C(=C\c4[nH]c(C)c(C(=O)NCCN5CCCC5)c4C)C(=O)Nc3c2)cc1
Show InChI InChI=1S/C32H36N6O5/c1-19-26(34-20(2)30(19)32(42)33-12-15-38-13-4-5-14-38)17-25-24-11-8-22(16-27(24)37-31(25)41)36-29(40)18-28(39)35-21-6-9-23(43-3)10-7-21/h6-11,16-17,34H,4-5,12-15,18H2,1-3H3,(H,33,42)(H,35,39)(H,36,40)(H,37,41)/b25-17-
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n/an/a 11n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of c-Met (unknown origin) using KKKSPGEYVNIEFG substrate by radioisotope-based P81 filter-binding assay


Eur J Med Chem 84: 312-34 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.033
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50052023
PNG
(CHEMBL3322581)
Show SMILES Cc1[nH]c(\C=C2/C(=O)Nc3cc(NC(=O)c4cccn(-c5ccc(F)cc5)c4=O)ccc23)c(C)c1C(O)=O
Show InChI InChI=1S/C28H21FN4O5/c1-14-22(30-15(2)24(14)28(37)38)13-21-19-10-7-17(12-23(19)32-26(21)35)31-25(34)20-4-3-11-33(27(20)36)18-8-5-16(29)6-9-18/h3-13,30H,1-2H3,(H,31,34)(H,32,35)(H,37,38)/b21-13-
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n/an/a 11n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of Aurora B (unknown origin) using H-LRRASLG substrate by radioisotope-based P81 filter-binding assay


Eur J Med Chem 84: 312-34 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.033
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50051942
PNG
(CHEMBL3322563)
Show SMILES Fc1ccc(NC(=O)CC(=O)Nc2ccc3\C(=C\c4ccc[nH]4)C(=O)Nc3c2)cc1
Show InChI InChI=1S/C22H17FN4O3/c23-13-3-5-14(6-4-13)25-20(28)12-21(29)26-16-7-8-17-18(10-15-2-1-9-24-15)22(30)27-19(17)11-16/h1-11,24H,12H2,(H,25,28)(H,26,29)(H,27,30)/b18-10-
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n/an/a 11n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of Flt3 (unknown origin) using EAIYAAPFAKKK substrate by radioisotope-based P81 filter-binding assay


Eur J Med Chem 84: 312-34 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.033
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50052026
PNG
(CHEMBL3322582)
Show SMILES Cc1[nH]c(\C=C2/C(=O)Nc3cc(NC(=O)c4cccn(C)c4=O)ccc23)c(C)c1C(O)=O
Show InChI InChI=1S/C23H20N4O5/c1-11-17(24-12(2)19(11)23(31)32)10-16-14-7-6-13(9-18(14)26-21(16)29)25-20(28)15-5-4-8-27(3)22(15)30/h4-10,24H,1-3H3,(H,25,28)(H,26,29)(H,31,32)/b16-10-
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n/an/a 14n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of Aurora B (unknown origin) using H-LRRASLG substrate by radioisotope-based P81 filter-binding assay


Eur J Med Chem 84: 312-34 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.033
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50051943
PNG
(CHEMBL3322564)
Show SMILES COc1ccc(NC(=O)CC(=O)Nc2ccc3\C(=C\c4ccc[nH]4)C(=O)Nc3c2)cc1
Show InChI InChI=1S/C23H20N4O4/c1-31-17-7-4-14(5-8-17)25-21(28)13-22(29)26-16-6-9-18-19(11-15-3-2-10-24-15)23(30)27-20(18)12-16/h2-12,24H,13H2,1H3,(H,25,28)(H,26,29)(H,27,30)/b19-11-
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n/an/a 17n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of Flt3 (unknown origin) using EAIYAAPFAKKK substrate by radioisotope-based P81 filter-binding assay


Eur J Med Chem 84: 312-34 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.033
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50051957
PNG
(CHEMBL3322566)
Show SMILES COc1ccc(NC(=O)CC(=O)Nc2ccc3\C(=C\c4[nH]c(C)c(C(=O)NCCN5CCCC5)c4C)C(=O)Nc3c2)cc1
Show InChI InChI=1S/C32H36N6O5/c1-19-26(34-20(2)30(19)32(42)33-12-15-38-13-4-5-14-38)17-25-24-11-8-22(16-27(24)37-31(25)41)36-29(40)18-28(39)35-21-6-9-23(43-3)10-7-21/h6-11,16-17,34H,4-5,12-15,18H2,1-3H3,(H,33,42)(H,35,39)(H,36,40)(H,37,41)/b25-17-
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n/an/a 21n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin) using poly[Glu:Tyr] substrate by radioisotope-based P81 filter-binding assay


Eur J Med Chem 84: 312-34 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.033
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50051942
PNG
(CHEMBL3322563)
Show SMILES Fc1ccc(NC(=O)CC(=O)Nc2ccc3\C(=C\c4ccc[nH]4)C(=O)Nc3c2)cc1
Show InChI InChI=1S/C22H17FN4O3/c23-13-3-5-14(6-4-13)25-20(28)12-21(29)26-16-7-8-17-18(10-15-2-1-9-24-15)22(30)27-19(17)11-16/h1-11,24H,12H2,(H,25,28)(H,26,29)(H,27,30)/b18-10-
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n/an/a 25n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of Aurora B (unknown origin) using H-LRRASLG substrate by radioisotope-based P81 filter-binding assay


Eur J Med Chem 84: 312-34 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.033
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50051939
PNG
(CHEMBL3322590)
Show SMILES Fc1ccccc1-c1c[nH]cc(C(=O)Nc2ccc3\C(=C\c4ccc[nH]4)C(=O)Nc3c2)c1=O
Show InChI InChI=1S/C25H17FN4O3/c26-21-6-2-1-5-16(21)19-12-27-13-20(23(19)31)25(33)29-15-7-8-17-18(10-14-4-3-9-28-14)24(32)30-22(17)11-15/h1-13,28H,(H,27,31)(H,29,33)(H,30,32)/b18-10-
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n/an/a 26n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of Aurora B (unknown origin) using H-LRRASLG substrate by radioisotope-based P81 filter-binding assay


Eur J Med Chem 84: 312-34 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.033
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50052071
PNG
(CHEMBL3322591)
Show SMILES Cc1c[nH]cc(C(=O)Nc2ccc3\C(=C\c4ccc[nH]4)C(=O)Nc3c2)c1=O
Show InChI InChI=1S/C20H16N4O3/c1-11-9-21-10-16(18(11)25)20(27)23-13-4-5-14-15(7-12-3-2-6-22-12)19(26)24-17(14)8-13/h2-10,22H,1H3,(H,21,25)(H,23,27)(H,24,26)/b15-7-
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n/an/a 29n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of Aurora B (unknown origin) using H-LRRASLG substrate by radioisotope-based P81 filter-binding assay


Eur J Med Chem 84: 312-34 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.033
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50051943
PNG
(CHEMBL3322564)
Show SMILES COc1ccc(NC(=O)CC(=O)Nc2ccc3\C(=C\c4ccc[nH]4)C(=O)Nc3c2)cc1
Show InChI InChI=1S/C23H20N4O4/c1-31-17-7-4-14(5-8-17)25-21(28)13-22(29)26-16-6-9-18-19(11-15-3-2-10-24-15)23(30)27-20(18)12-16/h2-12,24H,13H2,1H3,(H,25,28)(H,26,29)(H,27,30)/b19-11-
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n/an/a 30n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of Aurora B (unknown origin) using H-LRRASLG substrate by radioisotope-based P81 filter-binding assay


Eur J Med Chem 84: 312-34 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.033
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50051941
PNG
(CHEMBL3322565)
Show SMILES COc1ccc(NC(=O)CC(=O)Nc2ccc3\C(=C\c4[nH]c(C)c(C(O)=O)c4C)C(=O)Nc3c2)cc1
Show InChI InChI=1S/C26H24N4O6/c1-13-20(27-14(2)24(13)26(34)35)11-19-18-9-6-16(10-21(18)30-25(19)33)29-23(32)12-22(31)28-15-4-7-17(36-3)8-5-15/h4-11,27H,12H2,1-3H3,(H,28,31)(H,29,32)(H,30,33)(H,34,35)/b19-11-
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n/an/a 31n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of c-Met (unknown origin) using KKKSPGEYVNIEFG substrate by radioisotope-based P81 filter-binding assay


Eur J Med Chem 84: 312-34 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.033
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50052066
PNG
(CHEMBL3322585)
Show SMILES O=C(Nc1ccc2\C(=C\c3ccc[nH]3)C(=O)Nc2c1)c1c[nH]cc(-c2ccccc2)c1=O
Show InChI InChI=1S/C25H18N4O3/c30-23-20(15-5-2-1-3-6-15)13-26-14-21(23)25(32)28-17-8-9-18-19(11-16-7-4-10-27-16)24(31)29-22(18)12-17/h1-14,27H,(H,26,30)(H,28,32)(H,29,31)/b19-11-
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n/an/a 33n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of Aurora B (unknown origin) using H-LRRASLG substrate by radioisotope-based P81 filter-binding assay


Eur J Med Chem 84: 312-34 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.033
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50052020
PNG
(CHEMBL3322580)
Show SMILES OCCn1cccc(C(=O)Nc2ccc3\C(=C\c4ccc[nH]4)C(=O)Nc3c2)c1=O
Show InChI InChI=1S/C21H18N4O4/c26-10-9-25-8-2-4-16(21(25)29)19(27)23-14-5-6-15-17(11-13-3-1-7-22-13)20(28)24-18(15)12-14/h1-8,11-12,22,26H,9-10H2,(H,23,27)(H,24,28)/b17-11-
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n/an/a 33n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of Aurora B (unknown origin) using H-LRRASLG substrate by radioisotope-based P81 filter-binding assay


Eur J Med Chem 84: 312-34 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.033
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50051939
PNG
(CHEMBL3322590)
Show SMILES Fc1ccccc1-c1c[nH]cc(C(=O)Nc2ccc3\C(=C\c4ccc[nH]4)C(=O)Nc3c2)c1=O
Show InChI InChI=1S/C25H17FN4O3/c26-21-6-2-1-5-16(21)19-12-27-13-20(23(19)31)25(33)29-15-7-8-17-18(10-14-4-3-9-28-14)24(32)30-22(17)11-15/h1-13,28H,(H,27,31)(H,29,33)(H,30,32)/b18-10-
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n/an/a 40n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 (unknown origin) using Vivid OOMR substrate


Eur J Med Chem 84: 312-34 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.033
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50052068
PNG
(CHEMBL3322587)
Show SMILES Clc1ccc(cc1)-c1c[nH]cc(C(=O)Nc2ccc3\C(=C\c4ccc[nH]4)C(=O)Nc3c2)c1=O
Show InChI InChI=1S/C25H17ClN4O3/c26-15-5-3-14(4-6-15)20-12-27-13-21(23(20)31)25(33)29-17-7-8-18-19(10-16-2-1-9-28-16)24(32)30-22(18)11-17/h1-13,28H,(H,27,31)(H,29,33)(H,30,32)/b19-10-
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n/an/a 54n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of Aurora B (unknown origin) using H-LRRASLG substrate by radioisotope-based P81 filter-binding assay


Eur J Med Chem 84: 312-34 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.033
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50052067
PNG
(CHEMBL3322586)
Show SMILES Cc1ccc(cc1)-c1c[nH]cc(C(=O)Nc2ccc3\C(=C\c4ccc[nH]4)C(=O)Nc3c2)c1=O
Show InChI InChI=1S/C26H20N4O3/c1-15-4-6-16(7-5-15)21-13-27-14-22(24(21)31)26(33)29-18-8-9-19-20(11-17-3-2-10-28-17)25(32)30-23(19)12-18/h2-14,28H,1H3,(H,27,31)(H,29,33)(H,30,32)/b20-11-
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n/an/a 63n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of Aurora B (unknown origin) using H-LRRASLG substrate by radioisotope-based P81 filter-binding assay


Eur J Med Chem 84: 312-34 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.033
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora-C


(Homo sapiens (Human))
BDBM50051942
PNG
(CHEMBL3322563)
Show SMILES Fc1ccc(NC(=O)CC(=O)Nc2ccc3\C(=C\c4ccc[nH]4)C(=O)Nc3c2)cc1
Show InChI InChI=1S/C22H17FN4O3/c23-13-3-5-14(6-4-13)25-20(28)12-21(29)26-16-7-8-17-18(10-15-2-1-9-24-15)22(30)27-19(17)11-16/h1-11,24H,12H2,(H,25,28)(H,26,29)(H,27,30)/b18-10-
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n/an/a 67n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of Aurora C (unknown origin) using H-LRRASLG substrate by radioisotope-based P81 filter-binding assay


Eur J Med Chem 84: 312-34 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.033
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50052073
PNG
(CHEMBL3322593)
Show SMILES CN1CCN(CC1)C(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3cc(NC(=O)c4c[nH]cc(-c5ccc(F)cc5)c4=O)ccc23)c1C
Show InChI InChI=1S/C33H31FN6O4/c1-18-27(36-19(2)29(18)33(44)40-12-10-39(3)11-13-40)15-24-23-9-8-22(14-28(23)38-31(24)42)37-32(43)26-17-35-16-25(30(26)41)20-4-6-21(34)7-5-20/h4-9,14-17,36H,10-13H2,1-3H3,(H,35,41)(H,37,43)(H,38,42)/b24-15-
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n/an/a 71n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of Aurora B (unknown origin) using H-LRRASLG substrate by radioisotope-based P81 filter-binding assay


Eur J Med Chem 84: 312-34 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.033
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50052076
PNG
(CHEMBL3322596)
Show SMILES Cc1[nH]c(\C=C2/C(=O)Nc3cc(NC(=O)c4c[nH]cc(-c5ccc(F)cc5)c4=O)ccc23)c(C)c1CC(=O)N1CCOCC1
Show InChI InChI=1S/C33H30FN5O5/c1-18-24(15-30(40)39-9-11-44-12-10-39)19(2)36-28(18)14-25-23-8-7-22(13-29(23)38-32(25)42)37-33(43)27-17-35-16-26(31(27)41)20-3-5-21(34)6-4-20/h3-8,13-14,16-17,36H,9-12,15H2,1-2H3,(H,35,41)(H,37,43)(H,38,42)/b25-14-
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n/an/a 74n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of Aurora B (unknown origin) using H-LRRASLG substrate by radioisotope-based P81 filter-binding assay


Eur J Med Chem 84: 312-34 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.033
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50051942
PNG
(CHEMBL3322563)
Show SMILES Fc1ccc(NC(=O)CC(=O)Nc2ccc3\C(=C\c4ccc[nH]4)C(=O)Nc3c2)cc1
Show InChI InChI=1S/C22H17FN4O3/c23-13-3-5-14(6-4-13)25-20(28)12-21(29)26-16-7-8-17-18(10-15-2-1-9-24-15)22(30)27-19(17)11-16/h1-11,24H,12H2,(H,25,28)(H,26,29)(H,27,30)/b18-10-
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n/an/a 87n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta (unknown origin) using EAIYAAPFAKKK substrate by radioisotope-based P81 filter-binding assay


Eur J Med Chem 84: 312-34 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.033
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50051971
PNG
(CHEMBL3322574)
Show SMILES O=C(Nc1ccc2\C(=C\c3ccc[nH]3)C(=O)Nc2c1)c1cccn(-c2ccccc2)c1=O
Show InChI InChI=1S/C25H18N4O3/c30-23(20-9-5-13-29(25(20)32)18-7-2-1-3-8-18)27-17-10-11-19-21(14-16-6-4-12-26-16)24(31)28-22(19)15-17/h1-15,26H,(H,27,30)(H,28,31)/b21-14-
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n/an/a 87n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of Aurora B (unknown origin) using H-LRRASLG substrate by radioisotope-based P81 filter-binding assay


Eur J Med Chem 84: 312-34 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.033
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50052074
PNG
(CHEMBL3322594)
Show SMILES CN1CCN(CC1)C(=O)Cc1c(C)[nH]c(\C=C2/C(=O)Nc3cc(NC(=O)c4c[nH]cc(-c5ccc(F)cc5)c4=O)ccc23)c1C
Show InChI InChI=1S/C34H33FN6O4/c1-19-25(16-31(42)41-12-10-40(3)11-13-41)20(2)37-29(19)15-26-24-9-8-23(14-30(24)39-33(26)44)38-34(45)28-18-36-17-27(32(28)43)21-4-6-22(35)7-5-21/h4-9,14-15,17-18,37H,10-13,16H2,1-3H3,(H,36,43)(H,38,45)(H,39,44)/b26-15-
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n/an/a 92n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of Aurora B (unknown origin) using H-LRRASLG substrate by radioisotope-based P81 filter-binding assay


Eur J Med Chem 84: 312-34 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.033
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50051957
PNG
(CHEMBL3322566)
Show SMILES COc1ccc(NC(=O)CC(=O)Nc2ccc3\C(=C\c4[nH]c(C)c(C(=O)NCCN5CCCC5)c4C)C(=O)Nc3c2)cc1
Show InChI InChI=1S/C32H36N6O5/c1-19-26(34-20(2)30(19)32(42)33-12-15-38-13-4-5-14-38)17-25-24-11-8-22(16-27(24)37-31(25)41)36-29(40)18-28(39)35-21-6-9-23(43-3)10-7-21/h6-11,16-17,34H,4-5,12-15,18H2,1-3H3,(H,33,42)(H,35,39)(H,36,40)(H,37,41)/b25-17-
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n/an/a 93n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of Aurora B (unknown origin) using H-LRRASLG substrate by radioisotope-based P81 filter-binding assay


Eur J Med Chem 84: 312-34 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.033
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50051939
PNG
(CHEMBL3322590)
Show SMILES Fc1ccccc1-c1c[nH]cc(C(=O)Nc2ccc3\C(=C\c4ccc[nH]4)C(=O)Nc3c2)c1=O
Show InChI InChI=1S/C25H17FN4O3/c26-21-6-2-1-5-16(21)19-12-27-13-20(23(19)31)25(33)29-15-7-8-17-18(10-14-4-3-9-28-14)24(32)30-22(17)11-15/h1-13,28H,(H,27,31)(H,29,33)(H,30,32)/b18-10-
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n/an/a 100n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of Flt3 (unknown origin) using EAIYAAPFAKKK substrate by radioisotope-based P81 filter-binding assay


Eur J Med Chem 84: 312-34 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.033
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50051993
PNG
(CHEMBL3322579)
Show SMILES Cn1cccc(C(=O)Nc2ccc3\C(=C\c4ccc[nH]4)C(=O)Nc3c2)c1=O
Show InChI InChI=1S/C20H16N4O3/c1-24-9-3-5-15(20(24)27)18(25)22-13-6-7-14-16(10-12-4-2-8-21-12)19(26)23-17(14)11-13/h2-11,21H,1H3,(H,22,25)(H,23,26)/b16-10-
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n/an/a 102n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of Aurora B (unknown origin) using H-LRRASLG substrate by radioisotope-based P81 filter-binding assay


Eur J Med Chem 84: 312-34 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.033
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50052031
PNG
(CHEMBL3322583)
Show SMILES Fc1ccc(cc1)-c1c[nH]cc(C(=O)Nc2ccc3\C(=C\c4ccc[nH]4)C(=O)Nc3c2)c1=O
Show InChI InChI=1S/C25H17FN4O3/c26-15-5-3-14(4-6-15)20-12-27-13-21(23(20)31)25(33)29-17-7-8-18-19(10-16-2-1-9-28-16)24(32)30-22(18)11-17/h1-13,28H,(H,27,31)(H,29,33)(H,30,32)/b19-10-
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n/an/a 128n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of Aurora B (unknown origin) using H-LRRASLG substrate by radioisotope-based P81 filter-binding assay


Eur J Med Chem 84: 312-34 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.033
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Aurora-C


(Homo sapiens (Human))
BDBM50051941
PNG
(CHEMBL3322565)
Show SMILES COc1ccc(NC(=O)CC(=O)Nc2ccc3\C(=C\c4[nH]c(C)c(C(O)=O)c4C)C(=O)Nc3c2)cc1
Show InChI InChI=1S/C26H24N4O6/c1-13-20(27-14(2)24(13)26(34)35)11-19-18-9-6-16(10-21(18)30-25(19)33)29-23(32)12-22(31)28-15-4-7-17(36-3)8-5-15/h4-11,27H,12H2,1-3H3,(H,28,31)(H,29,32)(H,30,33)(H,34,35)/b19-11-
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n/an/a 154n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of Aurora C (unknown origin) using H-LRRASLG substrate by radioisotope-based P81 filter-binding assay


Eur J Med Chem 84: 312-34 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.033
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50052070
PNG
(CHEMBL3322589)
Show SMILES Clc1cccc(c1)-c1c[nH]cc(C(=O)Nc2ccc3\C(=C\c4ccc[nH]4)C(=O)Nc3c2)c1=O
Show InChI InChI=1S/C25H17ClN4O3/c26-15-4-1-3-14(9-15)20-12-27-13-21(23(20)31)25(33)29-17-6-7-18-19(10-16-5-2-8-28-16)24(32)30-22(18)11-17/h1-13,28H,(H,27,31)(H,29,33)(H,30,32)/b19-10-
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n/an/a 161n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of Aurora B (unknown origin) using H-LRRASLG substrate by radioisotope-based P81 filter-binding assay


Eur J Med Chem 84: 312-34 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.033
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50051943
PNG
(CHEMBL3322564)
Show SMILES COc1ccc(NC(=O)CC(=O)Nc2ccc3\C(=C\c4ccc[nH]4)C(=O)Nc3c2)cc1
Show InChI InChI=1S/C23H20N4O4/c1-31-17-7-4-14(5-8-17)25-21(28)13-22(29)26-16-6-9-18-19(11-15-3-2-10-24-15)23(30)27-20(18)12-16/h2-12,24H,13H2,1H3,(H,25,28)(H,26,29)(H,27,30)/b19-11-
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n/an/a 177n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta (unknown origin) using EAIYAAPFAKKK substrate by radioisotope-based P81 filter-binding assay


Eur J Med Chem 84: 312-34 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.033
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50051941
PNG
(CHEMBL3322565)
Show SMILES COc1ccc(NC(=O)CC(=O)Nc2ccc3\C(=C\c4[nH]c(C)c(C(O)=O)c4C)C(=O)Nc3c2)cc1
Show InChI InChI=1S/C26H24N4O6/c1-13-20(27-14(2)24(13)26(34)35)11-19-18-9-6-16(10-21(18)30-25(19)33)29-23(32)12-22(31)28-15-4-7-17(36-3)8-5-15/h4-11,27H,12H2,1-3H3,(H,28,31)(H,29,32)(H,30,33)(H,34,35)/b19-11-
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n/an/a 203n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of Aurora A (unknown origin) using H-LRRASLG substrate by radioisotope-based P81 filter-binding assay


Eur J Med Chem 84: 312-34 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.033
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50051991
PNG
(CHEMBL3322575)
Show SMILES Cc1ccc(cc1)-n1cccc(C(=O)Nc2ccc3\C(=C\c4ccc[nH]4)C(=O)Nc3c2)c1=O
Show InChI InChI=1S/C26H20N4O3/c1-16-6-9-19(10-7-16)30-13-3-5-21(26(30)33)24(31)28-18-8-11-20-22(14-17-4-2-12-27-17)25(32)29-23(20)15-18/h2-15,27H,1H3,(H,28,31)(H,29,32)/b22-14-
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n/an/a 209n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of Aurora B (unknown origin) using H-LRRASLG substrate by radioisotope-based P81 filter-binding assay


Eur J Med Chem 84: 312-34 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.033
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50051966
PNG
(CHEMBL3322573)
Show SMILES COc1ccc(cc1)-n1cccc(C(=O)Nc2ccc3\C(=C\c4ccc[nH]4)C(=O)Nc3c2)c1=O
Show InChI InChI=1S/C26H20N4O4/c1-34-19-9-7-18(8-10-19)30-13-3-5-21(26(30)33)24(31)28-17-6-11-20-22(14-16-4-2-12-27-16)25(32)29-23(20)15-17/h2-15,27H,1H3,(H,28,31)(H,29,32)/b22-14-
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n/an/a 209n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of Aurora B (unknown origin) using H-LRRASLG substrate by radioisotope-based P81 filter-binding assay


Eur J Med Chem 84: 312-34 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.033
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50051992
PNG
(CHEMBL3322578)
Show SMILES Clc1cccc(c1)-n1cccc(C(=O)Nc2ccc3\C(=C\c4ccc[nH]4)C(=O)Nc3c2)c1=O
Show InChI InChI=1S/C25H17ClN4O3/c26-15-4-1-6-18(12-15)30-11-3-7-20(25(30)33)23(31)28-17-8-9-19-21(13-16-5-2-10-27-16)24(32)29-22(19)14-17/h1-14,27H,(H,28,31)(H,29,32)/b21-13-
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n/an/a 251n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of Aurora B (unknown origin) using H-LRRASLG substrate by radioisotope-based P81 filter-binding assay


Eur J Med Chem 84: 312-34 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.033
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50051963
PNG
(CHEMBL3322567)
Show SMILES Fc1ccc(NC(=O)C2(CC2)C(=O)Nc2ccc3\C(=C\c4ccc[nH]4)C(=O)Nc3c2)cc1
Show InChI InChI=1S/C24H19FN4O3/c25-14-3-5-15(6-4-14)27-22(31)24(9-10-24)23(32)28-17-7-8-18-19(12-16-2-1-11-26-16)21(30)29-20(18)13-17/h1-8,11-13,26H,9-10H2,(H,27,31)(H,28,32)(H,29,30)/b19-12-
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n/an/a 253n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of Aurora B (unknown origin) using H-LRRASLG substrate by radioisotope-based P81 filter-binding assay


Eur J Med Chem 84: 312-34 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.033
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50051964
PNG
(CHEMBL3322568)
Show SMILES COc1ccc(NC(=O)C2(CC2)C(=O)Nc2ccc3\C(=C\c4ccc[nH]4)C(=O)Nc3c2)cc1
Show InChI InChI=1S/C25H22N4O4/c1-33-18-7-4-15(5-8-18)27-23(31)25(10-11-25)24(32)28-17-6-9-19-20(13-16-3-2-12-26-16)22(30)29-21(19)14-17/h2-9,12-14,26H,10-11H2,1H3,(H,27,31)(H,28,32)(H,29,30)/b20-13-
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n/an/a 347n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of Aurora B (unknown origin) using H-LRRASLG substrate by radioisotope-based P81 filter-binding assay


Eur J Med Chem 84: 312-34 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.033
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50052069
PNG
(CHEMBL3322588)
Show SMILES FC(F)(F)c1ccc(cc1)-c1c[nH]cc(C(=O)Nc2ccc3\C(=C\c4ccc[nH]4)C(=O)Nc3c2)c1=O
Show InChI InChI=1S/C26H17F3N4O3/c27-26(28,29)15-5-3-14(4-6-15)20-12-30-13-21(23(20)34)25(36)32-17-7-8-18-19(10-16-2-1-9-31-16)24(35)33-22(18)11-17/h1-13,31H,(H,30,34)(H,32,36)(H,33,35)/b19-10-
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n/an/a 348n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of Aurora B (unknown origin) using H-LRRASLG substrate by radioisotope-based P81 filter-binding assay


Eur J Med Chem 84: 312-34 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.033
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50051942
PNG
(CHEMBL3322563)
Show SMILES Fc1ccc(NC(=O)CC(=O)Nc2ccc3\C(=C\c4ccc[nH]4)C(=O)Nc3c2)cc1
Show InChI InChI=1S/C22H17FN4O3/c23-13-3-5-14(6-4-13)25-20(28)12-21(29)26-16-7-8-17-18(10-15-2-1-9-24-15)22(30)27-19(17)11-16/h1-11,24H,12H2,(H,25,28)(H,26,29)(H,27,30)/b18-10-
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n/an/a 552n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of Aurora A (unknown origin) using H-LRRASLG substrate by radioisotope-based P81 filter-binding assay


Eur J Med Chem 84: 312-34 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.033
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50051940
PNG
(CHEMBL3322572)
Show SMILES Fc1ccc(cc1)-n1cccc(C(=O)Nc2ccc3\C(=C\c4ccc[nH]4)C(=O)Nc3c2)c1=O
Show InChI InChI=1S/C25H17FN4O3/c26-15-5-8-18(9-6-15)30-12-2-4-20(25(30)33)23(31)28-17-7-10-19-21(13-16-3-1-11-27-16)24(32)29-22(19)14-17/h1-14,27H,(H,28,31)(H,29,32)/b21-13-
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n/an/a 791n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of Aurora B (unknown origin) using H-LRRASLG substrate by radioisotope-based P81 filter-binding assay


Eur J Med Chem 84: 312-34 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.033
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50051942
PNG
(CHEMBL3322563)
Show SMILES Fc1ccc(NC(=O)CC(=O)Nc2ccc3\C(=C\c4ccc[nH]4)C(=O)Nc3c2)cc1
Show InChI InChI=1S/C22H17FN4O3/c23-13-3-5-14(6-4-13)25-20(28)12-21(29)26-16-7-8-17-18(10-15-2-1-9-24-15)22(30)27-19(17)11-16/h1-11,24H,12H2,(H,25,28)(H,26,29)(H,27,30)/b18-10-
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n/an/a 1.77E+3n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin) using poly[Glu:Tyr] substrate by radioisotope-based P81 filter-binding assay


Eur J Med Chem 84: 312-34 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.033
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM50051939
PNG
(CHEMBL3322590)
Show SMILES Fc1ccccc1-c1c[nH]cc(C(=O)Nc2ccc3\C(=C\c4ccc[nH]4)C(=O)Nc3c2)c1=O
Show InChI InChI=1S/C25H17FN4O3/c26-21-6-2-1-5-16(21)19-12-27-13-20(23(19)31)25(33)29-15-7-8-17-18(10-14-4-3-9-28-14)24(32)30-22(17)11-15/h1-13,28H,(H,27,31)(H,29,33)(H,30,32)/b18-10-
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n/an/a 3.50E+3n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19 (unknown origin) using 3-Cyano-7-ethoxycoumarin substrate


Eur J Med Chem 84: 312-34 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.033
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50051939
PNG
(CHEMBL3322590)
Show SMILES Fc1ccccc1-c1c[nH]cc(C(=O)Nc2ccc3\C(=C\c4ccc[nH]4)C(=O)Nc3c2)c1=O
Show InChI InChI=1S/C25H17FN4O3/c26-21-6-2-1-5-16(21)19-12-27-13-20(23(19)31)25(33)29-15-7-8-17-18(10-14-4-3-9-28-14)24(32)30-22(17)11-15/h1-13,28H,(H,27,31)(H,29,33)(H,30,32)/b18-10-
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n/an/a>1.00E+4n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin) using Vivid OOMR substrate


Eur J Med Chem 84: 312-34 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.033
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50051939
PNG
(CHEMBL3322590)
Show SMILES Fc1ccccc1-c1c[nH]cc(C(=O)Nc2ccc3\C(=C\c4ccc[nH]4)C(=O)Nc3c2)c1=O
Show InChI InChI=1S/C25H17FN4O3/c26-21-6-2-1-5-16(21)19-12-27-13-20(23(19)31)25(33)29-15-7-8-17-18(10-14-4-3-9-28-14)24(32)30-22(17)11-15/h1-13,28H,(H,27,31)(H,29,33)(H,30,32)/b18-10-
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n/an/a>1.00E+4n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 (unknown origin) using 3-Cyano-7-ethoxycoumarin substrate


Eur J Med Chem 84: 312-34 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.033
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM50051939
PNG
(CHEMBL3322590)
Show SMILES Fc1ccccc1-c1c[nH]cc(C(=O)Nc2ccc3\C(=C\c4ccc[nH]4)C(=O)Nc3c2)c1=O
Show InChI InChI=1S/C25H17FN4O3/c26-21-6-2-1-5-16(21)19-12-27-13-20(23(19)31)25(33)29-15-7-8-17-18(10-14-4-3-9-28-14)24(32)30-22(17)11-15/h1-13,28H,(H,27,31)(H,29,33)(H,30,32)/b18-10-
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n/an/a>1.00E+4n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2 (unknown origin) using 3-Cyano-7-ethoxycoumarin substrate


Eur J Med Chem 84: 312-34 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.033
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50051939
PNG
(CHEMBL3322590)
Show SMILES Fc1ccccc1-c1c[nH]cc(C(=O)Nc2ccc3\C(=C\c4ccc[nH]4)C(=O)Nc3c2)c1=O
Show InChI InChI=1S/C25H17FN4O3/c26-21-6-2-1-5-16(21)19-12-27-13-20(23(19)31)25(33)29-15-7-8-17-18(10-14-4-3-9-28-14)24(32)30-22(17)11-15/h1-13,28H,(H,27,31)(H,29,33)(H,30,32)/b18-10-
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n/an/a>1.00E+5n/an/an/an/an/an/a



National Taiwan University

Curated by ChEMBL


Assay Description
Inhibition of human ERG channel by hERG Tracer Red based fluorescent assay


Eur J Med Chem 84: 312-34 (2014)


Article DOI: 10.1016/j.ejmech.2014.07.033
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%