Found 23 hits Enz. Inhib. hit(s) with all data for entry = 50033366 Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50343939
((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 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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| Article PubMed
| 0.590 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| PDB Article PubMed
| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 Structure (crystal) |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50343938
(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) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 Structure (crystal) |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50343947
(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) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(2-(hexylthio)-4-methyl-6-(5-methyl-1H-pyrazol-3-yl...)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) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(2-(6-hydroxyhexylamino)-4-methyl-6-(5-methyl-1H-py...)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) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 4.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 C
(Homo sapiens (Human)) | BDBM13534
(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) | PDB
NCI pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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| 4.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | 3D Structure (crystal) |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50343937
(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) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 5.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(2-(6-hydroxyhexylthio)-4-methyl-6-(5-methyl-1H-pyr...)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) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 8.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 9.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
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| 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | 3D Structure (crystal) |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50343944
(2-(2-hydroxyethylamino)-4-methyl-6-(5-methyl-1H-py...)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) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 28 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(2-(6-aminohexylthio)-4-methyl-6-(5-methyl-1H-pyraz...)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) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 28 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
Receptor-type tyrosine-protein kinase FLT3
(Homo sapiens (Human)) | BDBM13534
(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) | PDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
((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 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 66 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
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CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 101 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 310 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/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
(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) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 290 | n/a | n/a | n/a | n/a | n/a | n/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 | |