Found 58 hits with Last Name = 'zhao' and Initial = 'tt' 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)) | 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
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description Inhibition of human recombinant Aurora A kinase using biotinylated peptide substrate preincubated for 15 mins with compound measured after 30 mins by... |
Bioorg Med Chem Lett 22: 3589-93 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.066 BindingDB Entry DOI: 10.7270/Q2GF0VJZ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50383835
(CHEMBL2030993)Show SMILES CCOc1ccc(NC(=O)c2cn(nc2-c2ccc(cc2)[N+]([O-])=O)-c2ccccc2)cc1 Show InChI InChI=1S/C24H20N4O4/c1-2-32-21-14-10-18(11-15-21)25-24(29)22-16-27(19-6-4-3-5-7-19)26-23(22)17-8-12-20(13-9-17)28(30)31/h3-16H,2H2,1H3,(H,25,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description Inhibition of human recombinant Aurora A kinase using biotinylated peptide substrate preincubated for 15 mins with compound measured after 30 mins by... |
Bioorg Med Chem Lett 22: 3589-93 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.066 BindingDB Entry DOI: 10.7270/Q2GF0VJZ |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50383830
(CHEMBL2030988)Show SMILES CCOc1ccc(NC(=O)c2cn(nc2-c2ccc(Cl)cc2)-c2ccccc2)cc1 Show InChI InChI=1S/C24H20ClN3O2/c1-2-30-21-14-12-19(13-15-21)26-24(29)22-16-28(20-6-4-3-5-7-20)27-23(22)17-8-10-18(25)11-9-17/h3-16H,2H2,1H3,(H,26,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 220 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description Inhibition of human recombinant Aurora A kinase using biotinylated peptide substrate preincubated for 15 mins with compound measured after 30 mins by... |
Bioorg Med Chem Lett 22: 3589-93 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.066 BindingDB Entry DOI: 10.7270/Q2GF0VJZ |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50383816
(CHEMBL2030974)Show SMILES CCOc1ccc(NC(=O)c2cn(nc2-c2ccccc2)-c2ccccc2)cc1 Show InChI InChI=1S/C24H21N3O2/c1-2-29-21-15-13-19(14-16-21)25-24(28)22-17-27(20-11-7-4-8-12-20)26-23(22)18-9-5-3-6-10-18/h3-17H,2H2,1H3,(H,25,28) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 420 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description Inhibition of human recombinant Aurora A kinase using biotinylated peptide substrate preincubated for 15 mins with compound measured after 30 mins by... |
Bioorg Med Chem Lett 22: 3589-93 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.066 BindingDB Entry DOI: 10.7270/Q2GF0VJZ |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50387112
(CHEMBL2047619)Show SMILES [O-][N+](=O)c1ccc(cc1)-c1nn(cc1\C=C/C(=O)Nc1ccc(Br)cc1)-c1ccccc1 Show InChI InChI=1S/C24H17BrN4O3/c25-19-9-11-20(12-10-19)26-23(30)15-8-18-16-28(21-4-2-1-3-5-21)27-24(18)17-6-13-22(14-7-17)29(31)32/h1-16H,(H,26,30)/b15-8- | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 420 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description Inhibition of HDAC1 in human HeLa cell lysate using KI-104 as substrate after 40 mins by fluorescence analysis |
Bioorg Med Chem 20: 4430-6 (2012)
Article DOI: 10.1016/j.bmc.2012.05.031 BindingDB Entry DOI: 10.7270/Q2416Z3D |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50387111
(CHEMBL2047618)Show SMILES [O-][N+](=O)c1ccc(cc1)-c1nn(cc1\C=C/C(=O)Nc1ccc(Cl)cc1)-c1ccccc1 Show InChI InChI=1S/C24H17ClN4O3/c25-19-9-11-20(12-10-19)26-23(30)15-8-18-16-28(21-4-2-1-3-5-21)27-24(18)17-6-13-22(14-7-17)29(31)32/h1-16H,(H,26,30)/b15-8- | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 460 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description Inhibition of HDAC1 in human HeLa cell lysate using KI-104 as substrate after 40 mins by fluorescence analysis |
Bioorg Med Chem 20: 4430-6 (2012)
Article DOI: 10.1016/j.bmc.2012.05.031 BindingDB Entry DOI: 10.7270/Q2416Z3D |
More data for this Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50387112
(CHEMBL2047619)Show SMILES [O-][N+](=O)c1ccc(cc1)-c1nn(cc1\C=C/C(=O)Nc1ccc(Br)cc1)-c1ccccc1 Show InChI InChI=1S/C24H17BrN4O3/c25-19-9-11-20(12-10-19)26-23(30)15-8-18-16-28(21-4-2-1-3-5-21)27-24(18)17-6-13-22(14-7-17)29(31)32/h1-16H,(H,26,30)/b15-8- | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 550 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description Inhibition of HDAC2 in human HeLa cell lysate using KI-104 as substrate after 40 mins by fluorescence analysis |
Bioorg Med Chem 20: 4430-6 (2012)
Article DOI: 10.1016/j.bmc.2012.05.031 BindingDB Entry DOI: 10.7270/Q2416Z3D |
More data for this Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50387111
(CHEMBL2047618)Show SMILES [O-][N+](=O)c1ccc(cc1)-c1nn(cc1\C=C/C(=O)Nc1ccc(Cl)cc1)-c1ccccc1 Show InChI InChI=1S/C24H17ClN4O3/c25-19-9-11-20(12-10-19)26-23(30)15-8-18-16-28(21-4-2-1-3-5-21)27-24(18)17-6-13-22(14-7-17)29(31)32/h1-16H,(H,26,30)/b15-8- | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 570 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description Inhibition of HDAC2 in human HeLa cell lysate using KI-104 as substrate after 40 mins by fluorescence analysis |
Bioorg Med Chem 20: 4430-6 (2012)
Article DOI: 10.1016/j.bmc.2012.05.031 BindingDB Entry DOI: 10.7270/Q2416Z3D |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50383836
(CHEMBL2030978)Show SMILES CCOc1ccc(NC(=O)c2cn(nc2-c2ccc(C)cc2)-c2ccccc2)cc1 Show InChI InChI=1S/C25H23N3O2/c1-3-30-22-15-13-20(14-16-22)26-25(29)23-17-28(21-7-5-4-6-8-21)27-24(23)19-11-9-18(2)10-12-19/h4-17H,3H2,1-2H3,(H,26,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 650 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description Inhibition of human recombinant Aurora A kinase using biotinylated peptide substrate preincubated for 15 mins with compound measured after 30 mins by... |
Bioorg Med Chem Lett 22: 3589-93 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.066 BindingDB Entry DOI: 10.7270/Q2GF0VJZ |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50383825
(CHEMBL2030983)Show SMILES CCOc1ccc(NC(=O)c2cn(nc2-c2ccc(OC)cc2)-c2ccccc2)cc1 Show InChI InChI=1S/C25H23N3O3/c1-3-31-22-15-11-19(12-16-22)26-25(29)23-17-28(20-7-5-4-6-8-20)27-24(23)18-9-13-21(30-2)14-10-18/h4-17H,3H2,1-2H3,(H,26,29) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 780 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description Inhibition of human recombinant Aurora A kinase using biotinylated peptide substrate preincubated for 15 mins with compound measured after 30 mins by... |
Bioorg Med Chem Lett 22: 3589-93 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.066 BindingDB Entry DOI: 10.7270/Q2GF0VJZ |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50383834
(CHEMBL2030992)Show SMILES COc1ccc(NC(=O)c2cn(nc2-c2ccc(cc2)[N+]([O-])=O)-c2ccccc2)cc1 Show InChI InChI=1S/C23H18N4O4/c1-31-20-13-9-17(10-14-20)24-23(28)21-15-26(18-5-3-2-4-6-18)25-22(21)16-7-11-19(12-8-16)27(29)30/h2-15H,1H3,(H,24,28) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 790 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description Inhibition of human recombinant Aurora A kinase using biotinylated peptide substrate preincubated for 15 mins with compound measured after 30 mins by... |
Bioorg Med Chem Lett 22: 3589-93 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.066 BindingDB Entry DOI: 10.7270/Q2GF0VJZ |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50383829
(CHEMBL2030987)Show SMILES COc1ccc(NC(=O)c2cn(nc2-c2ccc(Cl)cc2)-c2ccccc2)cc1 Show InChI InChI=1S/C23H18ClN3O2/c1-29-20-13-11-18(12-14-20)25-23(28)21-15-27(19-5-3-2-4-6-19)26-22(21)16-7-9-17(24)10-8-16/h2-15H,1H3,(H,25,28) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 840 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description Inhibition of human recombinant Aurora A kinase using biotinylated peptide substrate preincubated for 15 mins with compound measured after 30 mins by... |
Bioorg Med Chem Lett 22: 3589-93 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.066 BindingDB Entry DOI: 10.7270/Q2GF0VJZ |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50387110
(CHEMBL2047617)Show SMILES [O-][N+](=O)c1ccc(cc1)-c1nn(cc1\C=C/C(=O)Nc1ccccc1)-c1ccccc1 Show InChI InChI=1S/C24H18N4O3/c29-23(25-20-7-3-1-4-8-20)16-13-19-17-27(21-9-5-2-6-10-21)26-24(19)18-11-14-22(15-12-18)28(30)31/h1-17H,(H,25,29)/b16-13- | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 920 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description Inhibition of HDAC1 in human HeLa cell lysate using KI-104 as substrate after 40 mins by fluorescence analysis |
Bioorg Med Chem 20: 4430-6 (2012)
Article DOI: 10.1016/j.bmc.2012.05.031 BindingDB Entry DOI: 10.7270/Q2416Z3D |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50387113
(CHEMBL2047620)Show SMILES COc1ccc(NC(=O)\C=C/c2cn(nc2-c2ccc(cc2)[N+]([O-])=O)-c2ccccc2)cc1 Show InChI InChI=1S/C25H20N4O4/c1-33-23-14-10-20(11-15-23)26-24(30)16-9-19-17-28(21-5-3-2-4-6-21)27-25(19)18-7-12-22(13-8-18)29(31)32/h2-17H,1H3,(H,26,30)/b16-9- | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.02E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description Inhibition of HDAC1 in human HeLa cell lysate using KI-104 as substrate after 40 mins by fluorescence analysis |
Bioorg Med Chem 20: 4430-6 (2012)
Article DOI: 10.1016/j.bmc.2012.05.031 BindingDB Entry DOI: 10.7270/Q2416Z3D |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50387105
(CHEMBL2047611)Show SMILES COc1ccc(cc1)-c1nn(cc1\C=C/C(=O)Nc1ccc(Br)cc1)-c1ccccc1 Show InChI InChI=1S/C25H20BrN3O2/c1-31-23-14-7-18(8-15-23)25-19(17-29(28-25)22-5-3-2-4-6-22)9-16-24(30)27-21-12-10-20(26)11-13-21/h2-17H,1H3,(H,27,30)/b16-9- | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.05E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description Inhibition of HDAC1 in human HeLa cell lysate using KI-104 as substrate after 40 mins by fluorescence analysis |
Bioorg Med Chem 20: 4430-6 (2012)
Article DOI: 10.1016/j.bmc.2012.05.031 BindingDB Entry DOI: 10.7270/Q2416Z3D |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50387098
(CHEMBL2047610)Show SMILES COc1ccc(cc1)-c1nn(cc1\C=C/C(=O)Nc1ccc(Cl)cc1)-c1ccccc1 Show InChI InChI=1S/C25H20ClN3O2/c1-31-23-14-7-18(8-15-23)25-19(17-29(28-25)22-5-3-2-4-6-22)9-16-24(30)27-21-12-10-20(26)11-13-21/h2-17H,1H3,(H,27,30)/b16-9- | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.09E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description Inhibition of HDAC1 in human HeLa cell lysate using KI-104 as substrate after 40 mins by fluorescence analysis |
Bioorg Med Chem 20: 4430-6 (2012)
Article DOI: 10.1016/j.bmc.2012.05.031 BindingDB Entry DOI: 10.7270/Q2416Z3D |
More data for this Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50387110
(CHEMBL2047617)Show SMILES [O-][N+](=O)c1ccc(cc1)-c1nn(cc1\C=C/C(=O)Nc1ccccc1)-c1ccccc1 Show InChI InChI=1S/C24H18N4O3/c29-23(25-20-7-3-1-4-8-20)16-13-19-17-27(21-9-5-2-6-10-21)26-24(19)18-11-14-22(15-12-18)28(30)31/h1-17H,(H,25,29)/b16-13- | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.15E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description Inhibition of HDAC2 in human HeLa cell lysate using KI-104 as substrate after 40 mins by fluorescence analysis |
Bioorg Med Chem 20: 4430-6 (2012)
Article DOI: 10.1016/j.bmc.2012.05.031 BindingDB Entry DOI: 10.7270/Q2416Z3D |
More data for this Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50387113
(CHEMBL2047620)Show SMILES COc1ccc(NC(=O)\C=C/c2cn(nc2-c2ccc(cc2)[N+]([O-])=O)-c2ccccc2)cc1 Show InChI InChI=1S/C25H20N4O4/c1-33-23-14-10-20(11-15-23)26-24(30)16-9-19-17-28(21-5-3-2-4-6-21)27-25(19)18-7-12-22(13-8-18)29(31)32/h2-17H,1H3,(H,26,30)/b16-9- | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.15E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description Inhibition of HDAC2 in human HeLa cell lysate using KI-104 as substrate after 40 mins by fluorescence analysis |
Bioorg Med Chem 20: 4430-6 (2012)
Article DOI: 10.1016/j.bmc.2012.05.031 BindingDB Entry DOI: 10.7270/Q2416Z3D |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50383815
(CHEMBL2030973)Show SMILES COc1ccc(NC(=O)c2cn(nc2-c2ccccc2)-c2ccccc2)cc1 Show InChI InChI=1S/C23H19N3O2/c1-28-20-14-12-18(13-15-20)24-23(27)21-16-26(19-10-6-3-7-11-19)25-22(21)17-8-4-2-5-9-17/h2-16H,1H3,(H,24,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.33E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description Inhibition of human recombinant Aurora A kinase using biotinylated peptide substrate preincubated for 15 mins with compound measured after 30 mins by... |
Bioorg Med Chem Lett 22: 3589-93 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.066 BindingDB Entry DOI: 10.7270/Q2GF0VJZ |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50383820
(CHEMBL1512579)Show SMILES COc1ccc(NC(=O)c2cn(nc2-c2ccc(C)cc2)-c2ccccc2)cc1 Show InChI InChI=1S/C24H21N3O2/c1-17-8-10-18(11-9-17)23-22(16-27(26-23)20-6-4-3-5-7-20)24(28)25-19-12-14-21(29-2)15-13-19/h3-16H,1-2H3,(H,25,28) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.45E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description Inhibition of human recombinant Aurora A kinase using biotinylated peptide substrate preincubated for 15 mins with compound measured after 30 mins by... |
Bioorg Med Chem Lett 22: 3589-93 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.066 BindingDB Entry DOI: 10.7270/Q2GF0VJZ |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50383824
(CHEMBL2030982)Show SMILES COc1ccc(NC(=O)c2cn(nc2-c2ccc(OC)cc2)-c2ccccc2)cc1 Show InChI InChI=1S/C24H21N3O3/c1-29-20-12-8-17(9-13-20)23-22(16-27(26-23)19-6-4-3-5-7-19)24(28)25-18-10-14-21(30-2)15-11-18/h3-16H,1-2H3,(H,25,28) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.62E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description Inhibition of human recombinant Aurora A kinase using biotinylated peptide substrate preincubated for 15 mins with compound measured after 30 mins by... |
Bioorg Med Chem Lett 22: 3589-93 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.066 BindingDB Entry DOI: 10.7270/Q2GF0VJZ |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50387099
(CHEMBL2047612)Show SMILES COc1ccc(NC(=O)\C=C/c2cn(nc2-c2ccc(OC)cc2)-c2ccccc2)cc1 Show InChI InChI=1S/C26H23N3O3/c1-31-23-13-8-19(9-14-23)26-20(18-29(28-26)22-6-4-3-5-7-22)10-17-25(30)27-21-11-15-24(32-2)16-12-21/h3-18H,1-2H3,(H,27,30)/b17-10- | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.73E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description Inhibition of HDAC1 in human HeLa cell lysate using KI-104 as substrate after 40 mins by fluorescence analysis |
Bioorg Med Chem 20: 4430-6 (2012)
Article DOI: 10.1016/j.bmc.2012.05.031 BindingDB Entry DOI: 10.7270/Q2416Z3D |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50387104
(CHEMBL2047609)Show SMILES COc1ccc(cc1)-c1nn(cc1\C=C/C(=O)Nc1ccccc1)-c1ccccc1 Show InChI InChI=1S/C25H21N3O2/c1-30-23-15-12-19(13-16-23)25-20(18-28(27-25)22-10-6-3-7-11-22)14-17-24(29)26-21-8-4-2-5-9-21/h2-18H,1H3,(H,26,29)/b17-14- | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.76E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description Inhibition of HDAC1 in human HeLa cell lysate using KI-104 as substrate after 40 mins by fluorescence analysis |
Bioorg Med Chem 20: 4430-6 (2012)
Article DOI: 10.1016/j.bmc.2012.05.031 BindingDB Entry DOI: 10.7270/Q2416Z3D |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50383826
(CHEMBL2030984)Show SMILES Clc1ccc(cc1)-c1nn(cc1C(=O)Nc1ccccc1)-c1ccccc1 Show InChI InChI=1S/C22H16ClN3O/c23-17-13-11-16(12-14-17)21-20(22(27)24-18-7-3-1-4-8-18)15-26(25-21)19-9-5-2-6-10-19/h1-15H,(H,24,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description Inhibition of human recombinant Aurora A kinase using biotinylated peptide substrate preincubated for 15 mins with compound measured after 30 mins by... |
Bioorg Med Chem Lett 22: 3589-93 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.066 BindingDB Entry DOI: 10.7270/Q2GF0VJZ |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50383831
(CHEMBL2030989)Show SMILES [O-][N+](=O)c1ccc(cc1)-c1nn(cc1C(=O)Nc1ccccc1)-c1ccccc1 Show InChI InChI=1S/C22H16N4O3/c27-22(23-17-7-3-1-4-8-17)20-15-25(18-9-5-2-6-10-18)24-21(20)16-11-13-19(14-12-16)26(28)29/h1-15H,(H,23,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description Inhibition of human recombinant Aurora A kinase using biotinylated peptide substrate preincubated for 15 mins with compound measured after 30 mins by... |
Bioorg Med Chem Lett 22: 3589-93 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.066 BindingDB Entry DOI: 10.7270/Q2GF0VJZ |
More data for this Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50387105
(CHEMBL2047611)Show SMILES COc1ccc(cc1)-c1nn(cc1\C=C/C(=O)Nc1ccc(Br)cc1)-c1ccccc1 Show InChI InChI=1S/C25H20BrN3O2/c1-31-23-14-7-18(8-15-23)25-19(17-29(28-25)22-5-3-2-4-6-22)9-16-24(30)27-21-12-10-20(26)11-13-21/h2-17H,1H3,(H,27,30)/b16-9- | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.17E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description Inhibition of HDAC2 in human HeLa cell lysate using KI-104 as substrate after 40 mins by fluorescence analysis |
Bioorg Med Chem 20: 4430-6 (2012)
Article DOI: 10.1016/j.bmc.2012.05.031 BindingDB Entry DOI: 10.7270/Q2416Z3D |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50383812
(CHEMBL1533728)Show InChI InChI=1S/C22H17N3O/c26-22(23-18-12-6-2-7-13-18)20-16-25(19-14-8-3-9-15-19)24-21(20)17-10-4-1-5-11-17/h1-16H,(H,23,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.34E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description Inhibition of human recombinant Aurora A kinase using biotinylated peptide substrate preincubated for 15 mins with compound measured after 30 mins by... |
Bioorg Med Chem Lett 22: 3589-93 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.066 BindingDB Entry DOI: 10.7270/Q2GF0VJZ |
More data for this Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50387098
(CHEMBL2047610)Show SMILES COc1ccc(cc1)-c1nn(cc1\C=C/C(=O)Nc1ccc(Cl)cc1)-c1ccccc1 Show InChI InChI=1S/C25H20ClN3O2/c1-31-23-14-7-18(8-15-23)25-19(17-29(28-25)22-5-3-2-4-6-22)9-16-24(30)27-21-12-10-20(26)11-13-21/h2-17H,1H3,(H,27,30)/b16-9- | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.36E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description Inhibition of HDAC2 in human HeLa cell lysate using KI-104 as substrate after 40 mins by fluorescence analysis |
Bioorg Med Chem 20: 4430-6 (2012)
Article DOI: 10.1016/j.bmc.2012.05.031 BindingDB Entry DOI: 10.7270/Q2416Z3D |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50383817
(CHEMBL2030975)Show SMILES Cc1ccc(cc1)-c1nn(cc1C(=O)Nc1ccccc1)-c1ccccc1 Show InChI InChI=1S/C23H19N3O/c1-17-12-14-18(15-13-17)22-21(23(27)24-19-8-4-2-5-9-19)16-26(25-22)20-10-6-3-7-11-20/h2-16H,1H3,(H,24,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.65E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description Inhibition of human recombinant Aurora A kinase using biotinylated peptide substrate preincubated for 15 mins with compound measured after 30 mins by... |
Bioorg Med Chem Lett 22: 3589-93 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.066 BindingDB Entry DOI: 10.7270/Q2GF0VJZ |
More data for this Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50387104
(CHEMBL2047609)Show SMILES COc1ccc(cc1)-c1nn(cc1\C=C/C(=O)Nc1ccccc1)-c1ccccc1 Show InChI InChI=1S/C25H21N3O2/c1-30-23-15-12-19(13-16-23)25-20(18-28(27-25)22-10-6-3-7-11-22)14-17-24(29)26-21-8-4-2-5-9-21/h2-18H,1H3,(H,26,29)/b17-14- | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.67E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description Inhibition of HDAC2 in human HeLa cell lysate using KI-104 as substrate after 40 mins by fluorescence analysis |
Bioorg Med Chem 20: 4430-6 (2012)
Article DOI: 10.1016/j.bmc.2012.05.031 BindingDB Entry DOI: 10.7270/Q2416Z3D |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50383821
(CHEMBL2030979)Show SMILES COc1ccc(cc1)-c1nn(cc1C(=O)Nc1ccccc1)-c1ccccc1 Show InChI InChI=1S/C23H19N3O2/c1-28-20-14-12-17(13-15-20)22-21(23(27)24-18-8-4-2-5-9-18)16-26(25-22)19-10-6-3-7-11-19/h2-16H,1H3,(H,24,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.78E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description Inhibition of human recombinant Aurora A kinase using biotinylated peptide substrate preincubated for 15 mins with compound measured after 30 mins by... |
Bioorg Med Chem Lett 22: 3589-93 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.066 BindingDB Entry DOI: 10.7270/Q2GF0VJZ |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50387108
(CHEMBL2047615)Show SMILES Brc1ccc(NC(=O)\C=C/c2cn(nc2-c2ccc(Br)cc2)-c2ccccc2)cc1 Show InChI InChI=1S/C24H17Br2N3O/c25-19-9-6-17(7-10-19)24-18(16-29(28-24)22-4-2-1-3-5-22)8-15-23(30)27-21-13-11-20(26)12-14-21/h1-16H,(H,27,30)/b15-8- | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.83E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description Inhibition of HDAC1 in human HeLa cell lysate using KI-104 as substrate after 40 mins by fluorescence analysis |
Bioorg Med Chem 20: 4430-6 (2012)
Article DOI: 10.1016/j.bmc.2012.05.031 BindingDB Entry DOI: 10.7270/Q2416Z3D |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50387107
(CHEMBL2047614)Show SMILES Clc1ccc(NC(=O)\C=C/c2cn(nc2-c2ccc(Br)cc2)-c2ccccc2)cc1 Show InChI InChI=1S/C24H17BrClN3O/c25-19-9-6-17(7-10-19)24-18(16-29(28-24)22-4-2-1-3-5-22)8-15-23(30)27-21-13-11-20(26)12-14-21/h1-16H,(H,27,30)/b15-8- | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.98E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description Inhibition of HDAC1 in human HeLa cell lysate using KI-104 as substrate after 40 mins by fluorescence analysis |
Bioorg Med Chem 20: 4430-6 (2012)
Article DOI: 10.1016/j.bmc.2012.05.031 BindingDB Entry DOI: 10.7270/Q2416Z3D |
More data for this Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50387099
(CHEMBL2047612)Show SMILES COc1ccc(NC(=O)\C=C/c2cn(nc2-c2ccc(OC)cc2)-c2ccccc2)cc1 Show InChI InChI=1S/C26H23N3O3/c1-31-23-13-8-19(9-14-23)26-20(18-29(28-26)22-6-4-3-5-7-22)10-17-25(30)27-21-11-15-24(32-2)16-12-21/h3-18H,1-2H3,(H,27,30)/b17-10- | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.02E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description Inhibition of HDAC2 in human HeLa cell lysate using KI-104 as substrate after 40 mins by fluorescence analysis |
Bioorg Med Chem 20: 4430-6 (2012)
Article DOI: 10.1016/j.bmc.2012.05.031 BindingDB Entry DOI: 10.7270/Q2416Z3D |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50383832
(CHEMBL2030990)Show SMILES [O-][N+](=O)c1ccc(cc1)-c1nn(cc1C(=O)Nc1ccc(Cl)cc1)-c1ccccc1 Show InChI InChI=1S/C22H15ClN4O3/c23-16-8-10-17(11-9-16)24-22(28)20-14-26(18-4-2-1-3-5-18)25-21(20)15-6-12-19(13-7-15)27(29)30/h1-14H,(H,24,28) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.04E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description Inhibition of human recombinant Aurora A kinase using biotinylated peptide substrate preincubated for 15 mins with compound measured after 30 mins by... |
Bioorg Med Chem Lett 22: 3589-93 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.066 BindingDB Entry DOI: 10.7270/Q2GF0VJZ |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50383827
(CHEMBL2030985)Show SMILES Clc1ccc(NC(=O)c2cn(nc2-c2ccc(Cl)cc2)-c2ccccc2)cc1 Show InChI InChI=1S/C22H15Cl2N3O/c23-16-8-6-15(7-9-16)21-20(14-27(26-21)19-4-2-1-3-5-19)22(28)25-18-12-10-17(24)11-13-18/h1-14H,(H,25,28) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.18E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description Inhibition of human recombinant Aurora A kinase using biotinylated peptide substrate preincubated for 15 mins with compound measured after 30 mins by... |
Bioorg Med Chem Lett 22: 3589-93 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.066 BindingDB Entry DOI: 10.7270/Q2GF0VJZ |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50387109
(CHEMBL2047616)Show SMILES COc1ccc(NC(=O)\C=C/c2cn(nc2-c2ccc(Br)cc2)-c2ccccc2)cc1 Show InChI InChI=1S/C25H20BrN3O2/c1-31-23-14-12-21(13-15-23)27-24(30)16-9-19-17-29(22-5-3-2-4-6-22)28-25(19)18-7-10-20(26)11-8-18/h2-17H,1H3,(H,27,30)/b16-9- | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.31E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description Inhibition of HDAC1 in human HeLa cell lysate using KI-104 as substrate after 40 mins by fluorescence analysis |
Bioorg Med Chem 20: 4430-6 (2012)
Article DOI: 10.1016/j.bmc.2012.05.031 BindingDB Entry DOI: 10.7270/Q2416Z3D |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50387102
(CHEMBL2047607)Show SMILES Cc1ccc(cc1)-c1nn(cc1\C=C/C(=O)Nc1ccc(Br)cc1)-c1ccccc1 Show InChI InChI=1S/C25H20BrN3O/c1-18-7-9-19(10-8-18)25-20(17-29(28-25)23-5-3-2-4-6-23)11-16-24(30)27-22-14-12-21(26)13-15-22/h2-17H,1H3,(H,27,30)/b16-11- | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.33E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description Inhibition of HDAC1 in human HeLa cell lysate using KI-104 as substrate after 40 mins by fluorescence analysis |
Bioorg Med Chem 20: 4430-6 (2012)
Article DOI: 10.1016/j.bmc.2012.05.031 BindingDB Entry DOI: 10.7270/Q2416Z3D |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50387106
(CHEMBL2047613)Show SMILES Brc1ccc(cc1)-c1nn(cc1\C=C/C(=O)Nc1ccccc1)-c1ccccc1 Show InChI InChI=1S/C24H18BrN3O/c25-20-14-11-18(12-15-20)24-19(17-28(27-24)22-9-5-2-6-10-22)13-16-23(29)26-21-7-3-1-4-8-21/h1-17H,(H,26,29)/b16-13- | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.43E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description Inhibition of HDAC1 in human HeLa cell lysate using KI-104 as substrate after 40 mins by fluorescence analysis |
Bioorg Med Chem 20: 4430-6 (2012)
Article DOI: 10.1016/j.bmc.2012.05.031 BindingDB Entry DOI: 10.7270/Q2416Z3D |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50383813
(CHEMBL2030971)Show SMILES Clc1ccc(NC(=O)c2cn(nc2-c2ccccc2)-c2ccccc2)cc1 Show InChI InChI=1S/C22H16ClN3O/c23-17-11-13-18(14-12-17)24-22(27)20-15-26(19-9-5-2-6-10-19)25-21(20)16-7-3-1-4-8-16/h1-15H,(H,24,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.57E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description Inhibition of human recombinant Aurora A kinase using biotinylated peptide substrate preincubated for 15 mins with compound measured after 30 mins by... |
Bioorg Med Chem Lett 22: 3589-93 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.066 BindingDB Entry DOI: 10.7270/Q2GF0VJZ |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50387101
(CHEMBL2047606)Show SMILES Cc1ccc(cc1)-c1nn(cc1\C=C/C(=O)Nc1ccc(Cl)cc1)-c1ccccc1 Show InChI InChI=1S/C25H20ClN3O/c1-18-7-9-19(10-8-18)25-20(17-29(28-25)23-5-3-2-4-6-23)11-16-24(30)27-22-14-12-21(26)13-15-22/h2-17H,1H3,(H,27,30)/b16-11- | 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
| n/a | n/a | 3.65E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description Inhibition of HDAC1 in human HeLa cell lysate using KI-104 as substrate after 40 mins by fluorescence analysis |
Bioorg Med Chem 20: 4430-6 (2012)
Article DOI: 10.1016/j.bmc.2012.05.031 BindingDB Entry DOI: 10.7270/Q2416Z3D |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50387103
(CHEMBL2047608)Show SMILES COc1ccc(NC(=O)\C=C/c2cn(nc2-c2ccc(C)cc2)-c2ccccc2)cc1 Show InChI InChI=1S/C26H23N3O2/c1-19-8-10-20(11-9-19)26-21(18-29(28-26)23-6-4-3-5-7-23)12-17-25(30)27-22-13-15-24(31-2)16-14-22/h3-18H,1-2H3,(H,27,30)/b17-12- | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4.05E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description Inhibition of HDAC1 in human HeLa cell lysate using KI-104 as substrate after 40 mins by fluorescence analysis |
Bioorg Med Chem 20: 4430-6 (2012)
Article DOI: 10.1016/j.bmc.2012.05.031 BindingDB Entry DOI: 10.7270/Q2416Z3D |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50387100
(CHEMBL2047605)Show SMILES Cc1ccc(cc1)-c1nn(cc1\C=C/C(=O)Nc1ccccc1)-c1ccccc1 Show InChI InChI=1S/C25H21N3O/c1-19-12-14-20(15-13-19)25-21(18-28(27-25)23-10-6-3-7-11-23)16-17-24(29)26-22-8-4-2-5-9-22/h2-18H,1H3,(H,26,29)/b17-16- | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4.06E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description Inhibition of HDAC1 in human HeLa cell lysate using KI-104 as substrate after 40 mins by fluorescence analysis |
Bioorg Med Chem 20: 4430-6 (2012)
Article DOI: 10.1016/j.bmc.2012.05.031 BindingDB Entry DOI: 10.7270/Q2416Z3D |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50383818
(CHEMBL2030976)Show SMILES Cc1ccc(cc1)-c1nn(cc1C(=O)Nc1ccc(Cl)cc1)-c1ccccc1 Show InChI InChI=1S/C23H18ClN3O/c1-16-7-9-17(10-8-16)22-21(15-27(26-22)20-5-3-2-4-6-20)23(28)25-19-13-11-18(24)12-14-19/h2-15H,1H3,(H,25,28) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4.79E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description Inhibition of human recombinant Aurora A kinase using biotinylated peptide substrate preincubated for 15 mins with compound measured after 30 mins by... |
Bioorg Med Chem Lett 22: 3589-93 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.066 BindingDB Entry DOI: 10.7270/Q2GF0VJZ |
More data for this Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50387108
(CHEMBL2047615)Show SMILES Brc1ccc(NC(=O)\C=C/c2cn(nc2-c2ccc(Br)cc2)-c2ccccc2)cc1 Show InChI InChI=1S/C24H17Br2N3O/c25-19-9-6-17(7-10-19)24-18(16-29(28-24)22-4-2-1-3-5-22)8-15-23(30)27-21-13-11-20(26)12-14-21/h1-16H,(H,27,30)/b15-8- | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4.87E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description Inhibition of HDAC2 in human HeLa cell lysate using KI-104 as substrate after 40 mins by fluorescence analysis |
Bioorg Med Chem 20: 4430-6 (2012)
Article DOI: 10.1016/j.bmc.2012.05.031 BindingDB Entry DOI: 10.7270/Q2416Z3D |
More data for this Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50387107
(CHEMBL2047614)Show SMILES Clc1ccc(NC(=O)\C=C/c2cn(nc2-c2ccc(Br)cc2)-c2ccccc2)cc1 Show InChI InChI=1S/C24H17BrClN3O/c25-19-9-6-17(7-10-19)24-18(16-29(28-24)22-4-2-1-3-5-22)8-15-23(30)27-21-13-11-20(26)12-14-21/h1-16H,(H,27,30)/b15-8- | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 4.99E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description Inhibition of HDAC2 in human HeLa cell lysate using KI-104 as substrate after 40 mins by fluorescence analysis |
Bioorg Med Chem 20: 4430-6 (2012)
Article DOI: 10.1016/j.bmc.2012.05.031 BindingDB Entry DOI: 10.7270/Q2416Z3D |
More data for this Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50387102
(CHEMBL2047607)Show SMILES Cc1ccc(cc1)-c1nn(cc1\C=C/C(=O)Nc1ccc(Br)cc1)-c1ccccc1 Show InChI InChI=1S/C25H20BrN3O/c1-18-7-9-19(10-8-18)25-20(17-29(28-25)23-5-3-2-4-6-23)11-16-24(30)27-22-14-12-21(26)13-15-22/h2-17H,1H3,(H,27,30)/b16-11- | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5.02E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description Inhibition of HDAC2 in human HeLa cell lysate using KI-104 as substrate after 40 mins by fluorescence analysis |
Bioorg Med Chem 20: 4430-6 (2012)
Article DOI: 10.1016/j.bmc.2012.05.031 BindingDB Entry DOI: 10.7270/Q2416Z3D |
More data for this Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50387109
(CHEMBL2047616)Show SMILES COc1ccc(NC(=O)\C=C/c2cn(nc2-c2ccc(Br)cc2)-c2ccccc2)cc1 Show InChI InChI=1S/C25H20BrN3O2/c1-31-23-14-12-21(13-15-23)27-24(30)16-9-19-17-29(22-5-3-2-4-6-22)28-25(19)18-7-10-20(26)11-8-18/h2-17H,1H3,(H,27,30)/b16-9- | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5.35E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description Inhibition of HDAC2 in human HeLa cell lysate using KI-104 as substrate after 40 mins by fluorescence analysis |
Bioorg Med Chem 20: 4430-6 (2012)
Article DOI: 10.1016/j.bmc.2012.05.031 BindingDB Entry DOI: 10.7270/Q2416Z3D |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50383833
(CHEMBL2030991)Show SMILES [O-][N+](=O)c1ccc(cc1)-c1nn(cc1C(=O)Nc1ccc(Br)cc1)-c1ccccc1 Show InChI InChI=1S/C22H15BrN4O3/c23-16-8-10-17(11-9-16)24-22(28)20-14-26(18-4-2-1-3-5-18)25-21(20)15-6-12-19(13-7-15)27(29)30/h1-14H,(H,24,28) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5.52E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description Inhibition of human recombinant Aurora A kinase using biotinylated peptide substrate preincubated for 15 mins with compound measured after 30 mins by... |
Bioorg Med Chem Lett 22: 3589-93 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.066 BindingDB Entry DOI: 10.7270/Q2GF0VJZ |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50383822
(CHEMBL2030980)Show SMILES COc1ccc(cc1)-c1nn(cc1C(=O)Nc1ccc(Cl)cc1)-c1ccccc1 Show InChI InChI=1S/C23H18ClN3O2/c1-29-20-13-7-16(8-14-20)22-21(15-27(26-22)19-5-3-2-4-6-19)23(28)25-18-11-9-17(24)10-12-18/h2-15H,1H3,(H,25,28) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5.59E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description Inhibition of human recombinant Aurora A kinase using biotinylated peptide substrate preincubated for 15 mins with compound measured after 30 mins by... |
Bioorg Med Chem Lett 22: 3589-93 (2012)
Article DOI: 10.1016/j.bmcl.2012.04.066 BindingDB Entry DOI: 10.7270/Q2GF0VJZ |
More data for this Ligand-Target Pair | |