Found 57 hits with Last Name = 'fu' and Initial = 'rg' 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 |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50330546
(4-Furan-6-methyl-N-(4-methoxyphenyl)-4,7-dihydro-2...)Show SMILES COc1ccc(NC(=O)C2C(c3ccco3)c3cn[nH]c3N=C2C)cc1 |c:23| Show InChI InChI=1S/C19H18N4O3/c1-11-16(19(24)22-12-5-7-13(25-2)8-6-12)17(15-4-3-9-26-15)14-10-20-23-18(14)21-11/h3-10,16-17H,1-2H3,(H,20,23)(H,22,24) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description Inhibition of human full-length Eg5 ATPase activity expressed in Escherichia coli assessed as release of inorganic phosphate after 30 mins |
Bioorg Med Chem 18: 8035-43 (2010)
Article DOI: 10.1016/j.bmc.2010.09.020 BindingDB Entry DOI: 10.7270/Q2BZ668Q |
More data for this Ligand-Target Pair | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50330547
(4-Thiophene-6-methyl-N-(4-methoxyphenyl)-4,7-dihyd...)Show SMILES COc1ccc(NC(=O)C2C(c3cccs3)c3cn[nH]c3N=C2C)cc1 |c:23| Show InChI InChI=1S/C19H18N4O2S/c1-11-16(19(24)22-12-5-7-13(25-2)8-6-12)17(15-4-3-9-26-15)14-10-20-23-18(14)21-11/h3-10,16-17H,1-2H3,(H,20,23)(H,22,24) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description Inhibition of human full-length Eg5 ATPase activity expressed in Escherichia coli assessed as release of inorganic phosphate after 30 mins |
Bioorg Med Chem 18: 8035-43 (2010)
Article DOI: 10.1016/j.bmc.2010.09.020 BindingDB Entry DOI: 10.7270/Q2BZ668Q |
More data for this Ligand-Target Pair | |
Polyamine deacetylase HDAC10
(Homo sapiens (Human)) | BDBM50188961
(CHEMBL3622533)Show SMILES COc1ccc(cn1)-c1nc(N2CCOCC2)c2sc(CN(C)c3ncc(cn3)C(=O)NO)cc2n1 Show InChI InChI=1S/C23H24N8O4S/c1-30(23-25-11-15(12-26-23)22(32)29-33)13-16-9-17-19(36-16)21(31-5-7-35-8-6-31)28-20(27-17)14-3-4-18(34-2)24-10-14/h3-4,9-12,33H,5-8,13H2,1-2H3,(H,29,32) | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Hunan University of Chinese Medicine
Curated by ChEMBL
| Assay Description Inhibition of HDAC10 (unknown origin) using Color de lys as substrate by HTS assay |
Eur J Med Chem 136: 195-211 (2017)
Article DOI: 10.1016/j.ejmech.2017.05.016 BindingDB Entry DOI: 10.7270/Q2D79DX7 |
More data for this Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50188961
(CHEMBL3622533)Show SMILES COc1ccc(cn1)-c1nc(N2CCOCC2)c2sc(CN(C)c3ncc(cn3)C(=O)NO)cc2n1 Show InChI InChI=1S/C23H24N8O4S/c1-30(23-25-11-15(12-26-23)22(32)29-33)13-16-9-17-19(36-16)21(31-5-7-35-8-6-31)28-20(27-17)14-3-4-18(34-2)24-10-14/h3-4,9-12,33H,5-8,13H2,1-2H3,(H,29,32) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Hunan University of Chinese Medicine
Curated by ChEMBL
| Assay Description Inhibition of HDAC2 (unknown origin) using Color de lys as substrate by HTS assay |
Eur J Med Chem 136: 195-211 (2017)
Article DOI: 10.1016/j.ejmech.2017.05.016 BindingDB Entry DOI: 10.7270/Q2D79DX7 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM50188961
(CHEMBL3622533)Show SMILES COc1ccc(cn1)-c1nc(N2CCOCC2)c2sc(CN(C)c3ncc(cn3)C(=O)NO)cc2n1 Show InChI InChI=1S/C23H24N8O4S/c1-30(23-25-11-15(12-26-23)22(32)29-33)13-16-9-17-19(36-16)21(31-5-7-35-8-6-31)28-20(27-17)14-3-4-18(34-2)24-10-14/h3-4,9-12,33H,5-8,13H2,1-2H3,(H,29,32) | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Hunan University of Chinese Medicine
Curated by ChEMBL
| Assay Description Inhibition of recombinant full length human N-terminal GST-tagged PI3K p110alpha/untagged p85alpha expressed in baculovirus infected insect Sf9 cells... |
Eur J Med Chem 136: 195-211 (2017)
Article DOI: 10.1016/j.ejmech.2017.05.016 BindingDB Entry DOI: 10.7270/Q2D79DX7 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
(Homo sapiens (Human)) | BDBM25028
(4-[2-(1H-indazol-4-yl)-6-[(4-methanesulfonylpipera...)Show SMILES CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1 Show InChI InChI=1S/C23H27N7O3S2/c1-35(31,32)30-7-5-28(6-8-30)15-16-13-20-21(34-16)23(29-9-11-33-12-10-29)26-22(25-20)17-3-2-4-19-18(17)14-24-27-19/h2-4,13-14H,5-12,15H2,1H3,(H,24,27) | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Hunan University of Chinese Medicine
Curated by ChEMBL
| Assay Description Inhibition of recombinant full length human N-terminal GST-tagged PI3K p110alpha/untagged p85alpha expressed in baculovirus infected insect Sf9 cells... |
Eur J Med Chem 136: 195-211 (2017)
Article DOI: 10.1016/j.ejmech.2017.05.016 BindingDB Entry DOI: 10.7270/Q2D79DX7 |
More data for this Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM50188961
(CHEMBL3622533)Show SMILES COc1ccc(cn1)-c1nc(N2CCOCC2)c2sc(CN(C)c3ncc(cn3)C(=O)NO)cc2n1 Show InChI InChI=1S/C23H24N8O4S/c1-30(23-25-11-15(12-26-23)22(32)29-33)13-16-9-17-19(36-16)21(31-5-7-35-8-6-31)28-20(27-17)14-3-4-18(34-2)24-10-14/h3-4,9-12,33H,5-8,13H2,1-2H3,(H,29,32) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Hunan University of Chinese Medicine
Curated by ChEMBL
| Assay Description Inhibition of HDAC6 (unknown origin) using Color de lys as substrate by HTS assay |
Eur J Med Chem 136: 195-211 (2017)
Article DOI: 10.1016/j.ejmech.2017.05.016 BindingDB Entry DOI: 10.7270/Q2D79DX7 |
More data for this Ligand-Target Pair | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50198311
((R)-N-(1-(3-benzyl-7-chloro-4-oxo-3,4-dihydroquina...)Show SMILES CC[C@@H](N(CCCN(C)C)C(=O)c1ccc(Br)cc1)c1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1 Show InChI InChI=1S/C30H32BrClN4O2/c1-4-27(35(18-8-17-34(2)3)29(37)22-11-13-23(31)14-12-22)28-33-26-19-24(32)15-16-25(26)30(38)36(28)20-21-9-6-5-7-10-21/h5-7,9-16,19,27H,4,8,17-18,20H2,1-3H3/t27-/m1/s1 | PDB MMDB
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 | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description Inhibition of human full-length Eg5 ATPase activity expressed in Escherichia coli assessed as release of inorganic phosphate after 30 mins |
Bioorg Med Chem 18: 8035-43 (2010)
Article DOI: 10.1016/j.bmc.2010.09.020 BindingDB Entry DOI: 10.7270/Q2BZ668Q |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM50188961
(CHEMBL3622533)Show SMILES COc1ccc(cn1)-c1nc(N2CCOCC2)c2sc(CN(C)c3ncc(cn3)C(=O)NO)cc2n1 Show InChI InChI=1S/C23H24N8O4S/c1-30(23-25-11-15(12-26-23)22(32)29-33)13-16-9-17-19(36-16)21(31-5-7-35-8-6-31)28-20(27-17)14-3-4-18(34-2)24-10-14/h3-4,9-12,33H,5-8,13H2,1-2H3,(H,29,32) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 39 | n/a | n/a | n/a | n/a | n/a | n/a |
Hunan University of Chinese Medicine
Curated by ChEMBL
| Assay Description Inhibition of recombinant full length human N-terminal GST-tagged PI3K p110delta/untagged p85alpha expressed in baculovirus infected insect Sf9 cells... |
Eur J Med Chem 136: 195-211 (2017)
Article DOI: 10.1016/j.ejmech.2017.05.016 BindingDB Entry DOI: 10.7270/Q2D79DX7 |
More data for this Ligand-Target Pair | |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform
(Homo sapiens (Human)) | BDBM25028
(4-[2-(1H-indazol-4-yl)-6-[(4-methanesulfonylpipera...)Show SMILES CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1 Show InChI InChI=1S/C23H27N7O3S2/c1-35(31,32)30-7-5-28(6-8-30)15-16-13-20-21(34-16)23(29-9-11-33-12-10-29)26-22(25-20)17-3-2-4-19-18(17)14-24-27-19/h2-4,13-14H,5-12,15H2,1H3,(H,24,27) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 39 | n/a | n/a | n/a | n/a | n/a | n/a |
Hunan University of Chinese Medicine
Curated by ChEMBL
| Assay Description Inhibition of recombinant full length human N-terminal GST-tagged PI3K p110delta/untagged p85alpha expressed in baculovirus infected insect Sf9 cells... |
Eur J Med Chem 136: 195-211 (2017)
Article DOI: 10.1016/j.ejmech.2017.05.016 BindingDB Entry DOI: 10.7270/Q2D79DX7 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM25028
(4-[2-(1H-indazol-4-yl)-6-[(4-methanesulfonylpipera...)Show SMILES CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1 Show InChI InChI=1S/C23H27N7O3S2/c1-35(31,32)30-7-5-28(6-8-30)15-16-13-20-21(34-16)23(29-9-11-33-12-10-29)26-22(25-20)17-3-2-4-19-18(17)14-24-27-19/h2-4,13-14H,5-12,15H2,1H3,(H,24,27) | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 54 | n/a | n/a | n/a | n/a | n/a | n/a |
Hunan University of Chinese Medicine
Curated by ChEMBL
| Assay Description Inhibition of recombinant full length human N-terminal GST-tagged PI3K p110beta/untagged p85alpha expressed in baculovirus infected insect Sf9 cells ... |
Eur J Med Chem 136: 195-211 (2017)
Article DOI: 10.1016/j.ejmech.2017.05.016 BindingDB Entry DOI: 10.7270/Q2D79DX7 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform
(Homo sapiens (Human)) | BDBM50188961
(CHEMBL3622533)Show SMILES COc1ccc(cn1)-c1nc(N2CCOCC2)c2sc(CN(C)c3ncc(cn3)C(=O)NO)cc2n1 Show InChI InChI=1S/C23H24N8O4S/c1-30(23-25-11-15(12-26-23)22(32)29-33)13-16-9-17-19(36-16)21(31-5-7-35-8-6-31)28-20(27-17)14-3-4-18(34-2)24-10-14/h3-4,9-12,33H,5-8,13H2,1-2H3,(H,29,32) | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 54 | n/a | n/a | n/a | n/a | n/a | n/a |
Hunan University of Chinese Medicine
Curated by ChEMBL
| Assay Description Inhibition of recombinant full length human N-terminal GST-tagged PI3K p110beta/untagged p85alpha expressed in baculovirus infected insect Sf9 cells ... |
Eur J Med Chem 136: 195-211 (2017)
Article DOI: 10.1016/j.ejmech.2017.05.016 BindingDB Entry DOI: 10.7270/Q2D79DX7 |
More data for this Ligand-Target Pair | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50330548
(4-Phenyl-6-methyl-N-(4-fluorophenyl)-4,7-dihydro-2...)Show SMILES CC1=Nc2[nH]ncc2C(C1C(=O)Nc1ccc(F)cc1)c1ccccc1 |t:1| Show InChI InChI=1S/C20H17FN4O/c1-12-17(20(26)24-15-9-7-14(21)8-10-15)18(13-5-3-2-4-6-13)16-11-22-25-19(16)23-12/h2-11,17-18H,1H3,(H,22,25)(H,24,26) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description Inhibition of human full-length Eg5 ATPase activity expressed in Escherichia coli assessed as release of inorganic phosphate after 30 mins |
Bioorg Med Chem 18: 8035-43 (2010)
Article DOI: 10.1016/j.bmc.2010.09.020 BindingDB Entry DOI: 10.7270/Q2BZ668Q |
More data for this Ligand-Target Pair | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50330549
(4-Phenyl-6-methyl-N-(3-chloro-4-fluorophenyl)-4,7-...)Show SMILES CC1=Nc2[nH]ncc2C(C1C(=O)Nc1ccc(F)c(Cl)c1)c1ccccc1 |t:1| Show InChI InChI=1S/C20H16ClFN4O/c1-11-17(20(27)25-13-7-8-16(22)15(21)9-13)18(12-5-3-2-4-6-12)14-10-23-26-19(14)24-11/h2-10,17-18H,1H3,(H,23,26)(H,25,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 170 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description Inhibition of human full-length Eg5 ATPase activity expressed in Escherichia coli assessed as release of inorganic phosphate after 30 mins |
Bioorg Med Chem 18: 8035-43 (2010)
Article DOI: 10.1016/j.bmc.2010.09.020 BindingDB Entry DOI: 10.7270/Q2BZ668Q |
More data for this Ligand-Target Pair | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50330550
(CHEMBL1277474 | N-(4-chlorophenyl)-2,7,7-trimethyl...)Show SMILES CC1=C(C(C2C(=O)CC(C)(C)CC2=N1)c1ccccc1)C(=O)Nc1ccc(Cl)cc1 |c:13,t:1| Show InChI InChI=1S/C25H25ClN2O2/c1-15-21(24(30)28-18-11-9-17(26)10-12-18)22(16-7-5-4-6-8-16)23-19(27-15)13-25(2,3)14-20(23)29/h4-12,22-23H,13-14H2,1-3H3,(H,28,30) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description Inhibition of human full-length Eg5 ATPase activity expressed in Escherichia coli assessed as release of inorganic phosphate after 30 mins |
Bioorg Med Chem 18: 8035-43 (2010)
Article DOI: 10.1016/j.bmc.2010.09.020 BindingDB Entry DOI: 10.7270/Q2BZ668Q |
More data for this Ligand-Target Pair | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50330551
(4-Phenyl-6-methyl-N-(4-nitrophenyl)-4,7-dihydro-2H...)Show SMILES CC1=Nc2[nH]ncc2C(C1C(=O)Nc1ccc(cc1)[N+]([O-])=O)c1ccccc1 |t:1| Show InChI InChI=1S/C20H17N5O3/c1-12-17(20(26)23-14-7-9-15(10-8-14)25(27)28)18(13-5-3-2-4-6-13)16-11-21-24-19(16)22-12/h2-11,17-18H,1H3,(H,21,24)(H,23,26) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description Inhibition of human full-length Eg5 ATPase activity expressed in Escherichia coli assessed as release of inorganic phosphate after 30 mins |
Bioorg Med Chem 18: 8035-43 (2010)
Article DOI: 10.1016/j.bmc.2010.09.020 BindingDB Entry DOI: 10.7270/Q2BZ668Q |
More data for this Ligand-Target Pair | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50330552
(4-Thiophene-6-methyl-N-(4-trifluoromethylphenyl)-4...)Show SMILES CC1=Nc2[nH]ncc2C(C1C(=O)Nc1ccc(cc1)C(F)(F)F)c1cccs1 |t:1| Show InChI InChI=1S/C19H15F3N4OS/c1-10-15(18(27)25-12-6-4-11(5-7-12)19(20,21)22)16(14-3-2-8-28-14)13-9-23-26-17(13)24-10/h2-9,15-16H,1H3,(H,23,26)(H,25,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 320 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description Inhibition of human full-length Eg5 ATPase activity expressed in Escherichia coli assessed as release of inorganic phosphate after 30 mins |
Bioorg Med Chem 18: 8035-43 (2010)
Article DOI: 10.1016/j.bmc.2010.09.020 BindingDB Entry DOI: 10.7270/Q2BZ668Q |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50282192
(CHEMBL4163321)Show SMILES CN(CCN(C)Cc1ccc(cc1)C(=O)Nc1ccc2ncnc(Nc3cccc(Cl)c3)c2c1)CCn1nc(-c2ccc(Cl)cc2)c2c(N)ncnc12 Show InChI InChI=1S/C39H37Cl2N11O/c1-50(18-19-52-38-34(36(42)44-24-46-38)35(49-52)26-10-12-28(40)13-11-26)16-17-51(2)22-25-6-8-27(9-7-25)39(53)48-31-14-15-33-32(21-31)37(45-23-43-33)47-30-5-3-4-29(41)20-30/h3-15,20-21,23-24H,16-19,22H2,1-2H3,(H,48,53)(H2,42,44,46)(H,43,45,47) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 320 | n/a | n/a | n/a | n/a | n/a | n/a |
Hunan University of Chinese Medicine
Curated by ChEMBL
| Assay Description Inhibition of human A431 cells derived EGFR by ELISA |
Eur J Med Chem 136: 195-211 (2017)
Article DOI: 10.1016/j.ejmech.2017.05.016 BindingDB Entry DOI: 10.7270/Q2D79DX7 |
More data for this Ligand-Target Pair | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50330553
(4-Phenyl-6-methyl-N-(4-trifluoromethylphenyl)-4,7-...)Show SMILES CC1=Nc2[nH]ncc2C(C1C(=O)Nc1ccc(cc1)C(F)(F)F)c1ccccc1 |t:1| Show InChI InChI=1S/C21H17F3N4O/c1-12-17(20(29)27-15-9-7-14(8-10-15)21(22,23)24)18(13-5-3-2-4-6-13)16-11-25-28-19(16)26-12/h2-11,17-18H,1H3,(H,25,28)(H,27,29) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description Inhibition of human full-length Eg5 ATPase activity expressed in Escherichia coli assessed as release of inorganic phosphate after 30 mins |
Bioorg Med Chem 18: 8035-43 (2010)
Article DOI: 10.1016/j.bmc.2010.09.020 BindingDB Entry DOI: 10.7270/Q2BZ668Q |
More data for this Ligand-Target Pair | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50330554
(4-Furan-6-methyl-N-(3-chloro-4-fluorophenyl)-4,7-d...)Show SMILES CC1=Nc2[nH]ncc2C(C1C(=O)Nc1ccc(F)c(Cl)c1)c1ccco1 |t:1| Show InChI InChI=1S/C18H14ClFN4O2/c1-9-15(18(25)23-10-4-5-13(20)12(19)7-10)16(14-3-2-6-26-14)11-8-21-24-17(11)22-9/h2-8,15-16H,1H3,(H,21,24)(H,23,25) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description Inhibition of human full-length Eg5 ATPase activity expressed in Escherichia coli assessed as release of inorganic phosphate after 30 mins |
Bioorg Med Chem 18: 8035-43 (2010)
Article DOI: 10.1016/j.bmc.2010.09.020 BindingDB Entry DOI: 10.7270/Q2BZ668Q |
More data for this Ligand-Target Pair | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50330555
(4-Thiophene-6-methyl-N-(3-chloro-4-fluorophenyl)-4...)Show SMILES CC1=Nc2[nH]ncc2C(C1C(=O)Nc1ccc(F)c(Cl)c1)c1cccs1 |t:1| Show InChI InChI=1S/C18H14ClFN4OS/c1-9-15(18(25)23-10-4-5-13(20)12(19)7-10)16(14-3-2-6-26-14)11-8-21-24-17(11)22-9/h2-8,15-16H,1H3,(H,21,24)(H,23,25) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 440 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description Inhibition of human full-length Eg5 ATPase activity expressed in Escherichia coli assessed as release of inorganic phosphate after 30 mins |
Bioorg Med Chem 18: 8035-43 (2010)
Article DOI: 10.1016/j.bmc.2010.09.020 BindingDB Entry DOI: 10.7270/Q2BZ668Q |
More data for this Ligand-Target Pair | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50330556
(4-Thiophene-6-methyl-N-(4-nitrophenyl)-4,7-dihydro...)Show SMILES CC1=Nc2[nH]ncc2C(C1C(=O)Nc1ccc(cc1)[N+]([O-])=O)c1cccs1 |t:1| Show InChI InChI=1S/C18H15N5O3S/c1-10-15(18(24)21-11-4-6-12(7-5-11)23(25)26)16(14-3-2-8-27-14)13-9-19-22-17(13)20-10/h2-9,15-16H,1H3,(H,19,22)(H,21,24) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 820 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description Inhibition of human full-length Eg5 ATPase activity expressed in Escherichia coli assessed as release of inorganic phosphate after 30 mins |
Bioorg Med Chem 18: 8035-43 (2010)
Article DOI: 10.1016/j.bmc.2010.09.020 BindingDB Entry DOI: 10.7270/Q2BZ668Q |
More data for this Ligand-Target Pair | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50330557
(CHEMBL1277383 | N-(3-Chloro-4-fluorobenzyl)-4-fura...)Show SMILES CC1=Nc2nc3ccccc3n2C(C1C(=O)Nc1ccc(F)c(Cl)c1)c1ccco1 |t:1| Show InChI InChI=1S/C22H16ClFN4O2/c1-12-19(21(29)26-13-8-9-15(24)14(23)11-13)20(18-7-4-10-30-18)28-17-6-3-2-5-16(17)27-22(28)25-12/h2-11,19-20H,1H3,(H,26,29) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 960 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description Inhibition of human full-length Eg5 ATPase activity expressed in Escherichia coli assessed as release of inorganic phosphate after 30 mins |
Bioorg Med Chem 18: 8035-43 (2010)
Article DOI: 10.1016/j.bmc.2010.09.020 BindingDB Entry DOI: 10.7270/Q2BZ668Q |
More data for this Ligand-Target Pair | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50330558
(4-Furan-6-methyl-N-(4-trifluoromethylphenyl)-4,7-d...)Show SMILES CC1=Nc2[nH]ncc2C(C1C(=O)Nc1ccc(cc1)C(F)(F)F)c1ccco1 |t:1| Show InChI InChI=1S/C19H15F3N4O2/c1-10-15(18(27)25-12-6-4-11(5-7-12)19(20,21)22)16(14-3-2-8-28-14)13-9-23-26-17(13)24-10/h2-9,15-16H,1H3,(H,23,26)(H,25,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.06E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description Inhibition of human full-length Eg5 ATPase activity expressed in Escherichia coli assessed as release of inorganic phosphate after 30 mins |
Bioorg Med Chem 18: 8035-43 (2010)
Article DOI: 10.1016/j.bmc.2010.09.020 BindingDB Entry DOI: 10.7270/Q2BZ668Q |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50330559
(CHEMBL1277382 | N-(4-Trifluoromethylbenzyl)-4-fura...)Show SMILES CC1=Nc2nc3ccccc3n2C(C1C(=O)Nc1ccc(cc1)C(F)(F)F)c1ccco1 |t:1| Show InChI InChI=1S/C23H17F3N4O2/c1-13-19(21(31)28-15-10-8-14(9-11-15)23(24,25)26)20(18-7-4-12-32-18)30-17-6-3-2-5-16(17)29-22(30)27-13/h2-12,19-20H,1H3,(H,28,31) | 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 | 1.32E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description Inhibition of human purified recombinant aurora-A kinase |
Bioorg Med Chem 18: 8035-43 (2010)
Article DOI: 10.1016/j.bmc.2010.09.020 BindingDB Entry DOI: 10.7270/Q2BZ668Q |
More data for this Ligand-Target Pair | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50330560
(CHEMBL1277293 | N-(4-Methoxybenzyl)-4-furan-2-meth...)Show SMILES COc1ccc(NC(=O)C2C(c3ccco3)n3c(nc4ccccc34)N=C2C)cc1 |c:28| Show InChI InChI=1S/C23H20N4O3/c1-14-20(22(28)25-15-9-11-16(29-2)12-10-15)21(19-8-5-13-30-19)27-18-7-4-3-6-17(18)26-23(27)24-14/h3-13,20-21H,1-2H3,(H,25,28) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.46E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description Inhibition of human full-length Eg5 ATPase activity expressed in Escherichia coli assessed as release of inorganic phosphate after 30 mins |
Bioorg Med Chem 18: 8035-43 (2010)
Article DOI: 10.1016/j.bmc.2010.09.020 BindingDB Entry DOI: 10.7270/Q2BZ668Q |
More data for this Ligand-Target Pair | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50330561
(4-Furan-6-methyl-N-(4-nitrophenyl)-4,7-dihydro-2Hp...)Show SMILES CC1=Nc2[nH]ncc2C(C1C(=O)Nc1ccc(cc1)[N+]([O-])=O)c1ccco1 |t:1| Show InChI InChI=1S/C18H15N5O4/c1-10-15(18(24)21-11-4-6-12(7-5-11)23(25)26)16(14-3-2-8-27-14)13-9-19-22-17(13)20-10/h2-9,15-16H,1H3,(H,19,22)(H,21,24) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.76E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description Inhibition of human full-length Eg5 ATPase activity expressed in Escherichia coli assessed as release of inorganic phosphate after 30 mins |
Bioorg Med Chem 18: 8035-43 (2010)
Article DOI: 10.1016/j.bmc.2010.09.020 BindingDB Entry DOI: 10.7270/Q2BZ668Q |
More data for this Ligand-Target Pair | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50330562
(4-Phenyl-6-methyl-N-(4-methoxyphenyl)-4,7-dihydro-...)Show SMILES COc1ccc(NC(=O)C2C(c3cn[nH]c3N=C2C)c2ccccc2)cc1 |c:17| Show InChI InChI=1S/C21H20N4O2/c1-13-18(21(26)24-15-8-10-16(27-2)11-9-15)19(14-6-4-3-5-7-14)17-12-22-25-20(17)23-13/h3-12,18-19H,1-2H3,(H,22,25)(H,24,26) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.82E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description Inhibition of human full-length Eg5 ATPase activity expressed in Escherichia coli assessed as release of inorganic phosphate after 30 mins |
Bioorg Med Chem 18: 8035-43 (2010)
Article DOI: 10.1016/j.bmc.2010.09.020 BindingDB Entry DOI: 10.7270/Q2BZ668Q |
More data for this Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM50282192
(CHEMBL4163321)Show SMILES CN(CCN(C)Cc1ccc(cc1)C(=O)Nc1ccc2ncnc(Nc3cccc(Cl)c3)c2c1)CCn1nc(-c2ccc(Cl)cc2)c2c(N)ncnc12 Show InChI InChI=1S/C39H37Cl2N11O/c1-50(18-19-52-38-34(36(42)44-24-46-38)35(49-52)26-10-12-28(40)13-11-26)16-17-51(2)22-25-6-8-27(9-7-25)39(53)48-31-14-15-33-32(21-31)37(45-23-43-33)47-30-5-3-4-29(41)20-30/h3-15,20-21,23-24H,16-19,22H2,1-2H3,(H,48,53)(H2,42,44,46)(H,43,45,47) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Hunan University of Chinese Medicine
Curated by ChEMBL
| Assay Description Inhibition of Src kinase (unknown origin) |
Eur J Med Chem 136: 195-211 (2017)
Article DOI: 10.1016/j.ejmech.2017.05.016 BindingDB Entry DOI: 10.7270/Q2D79DX7 |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50330563
(CHEMBL1277294 | N-(4-Nitrobenzyl)-4-furan-2-methyl...)Show SMILES CC1=Nc2nc3ccccc3n2C(C1C(=O)Nc1ccc(cc1)[N+]([O-])=O)c1ccco1 |t:1| Show InChI InChI=1S/C22H17N5O4/c1-13-19(21(28)24-14-8-10-15(11-9-14)27(29)30)20(18-7-4-12-31-18)26-17-6-3-2-5-16(17)25-22(26)23-13/h2-12,19-20H,1H3,(H,24,28) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description Inhibition of human purified recombinant aurora-A kinase |
Bioorg Med Chem 18: 8035-43 (2010)
Article DOI: 10.1016/j.bmc.2010.09.020 BindingDB Entry DOI: 10.7270/Q2BZ668Q |
More data for this Ligand-Target Pair | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50330559
(CHEMBL1277382 | N-(4-Trifluoromethylbenzyl)-4-fura...)Show SMILES CC1=Nc2nc3ccccc3n2C(C1C(=O)Nc1ccc(cc1)C(F)(F)F)c1ccco1 |t:1| Show InChI InChI=1S/C23H17F3N4O2/c1-13-19(21(31)28-15-10-8-14(9-11-15)23(24,25)26)20(18-7-4-12-32-18)30-17-6-3-2-5-16(17)29-22(30)27-13/h2-12,19-20H,1H3,(H,28,31) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.32E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description Inhibition of human full-length Eg5 ATPase activity expressed in Escherichia coli assessed as release of inorganic phosphate after 30 mins |
Bioorg Med Chem 18: 8035-43 (2010)
Article DOI: 10.1016/j.bmc.2010.09.020 BindingDB Entry DOI: 10.7270/Q2BZ668Q |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50224731
(4-(6-chloro-3H-imidazo[4,5-b]pyridin-2-yl)-N,N-dim...)Show InChI InChI=1S/C14H13ClN4/c1-19(2)11-5-3-9(4-6-11)13-17-12-7-10(15)8-16-14(12)18-13/h3-8H,1-2H3,(H,16,17,18) | 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 | 4.97E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description Inhibition of human purified recombinant aurora-A kinase |
Bioorg Med Chem 18: 8035-43 (2010)
Article DOI: 10.1016/j.bmc.2010.09.020 BindingDB Entry DOI: 10.7270/Q2BZ668Q |
More data for this Ligand-Target Pair | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50216502
(4-(3-hydroxy-phenyl)-6-methyl-2-thioxo-1,2,3,4-tet...)Show SMILES CCOC(=O)C1C(NC(=S)N=C1C)c1cccc(O)c1 |w:6.13,c:10| Show InChI InChI=1S/C14H16N2O3S/c1-3-19-13(18)11-8(2)15-14(20)16-12(11)9-5-4-6-10(17)7-9/h4-7,11-12,17H,3H2,1-2H3,(H,16,20) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 5.47E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description Inhibition of human full-length Eg5 ATPase activity expressed in Escherichia coli assessed as release of inorganic phosphate after 30 mins |
Bioorg Med Chem 18: 8035-43 (2010)
Article DOI: 10.1016/j.bmc.2010.09.020 BindingDB Entry DOI: 10.7270/Q2BZ668Q |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50330564
(CHEMBL1277473 | N-(4-Fluorobenzyl)-4-furan-2-methy...)Show SMILES CC1=Nc2nc3ccccc3n2C(C1C(=O)Nc1ccc(F)cc1)c1ccco1 |t:1| Show InChI InChI=1S/C22H17FN4O2/c1-13-19(21(28)25-15-10-8-14(23)9-11-15)20(18-7-4-12-29-18)27-17-6-3-2-5-16(17)26-22(27)24-13/h2-12,19-20H,1H3,(H,25,28) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 5.65E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description Inhibition of human full-length Eg5 ATPase activity expressed in Escherichia coli assessed as release of inorganic phosphate after 30 mins |
Bioorg Med Chem 18: 8035-43 (2010)
Article DOI: 10.1016/j.bmc.2010.09.020 BindingDB Entry DOI: 10.7270/Q2BZ668Q |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50330557
(CHEMBL1277383 | N-(3-Chloro-4-fluorobenzyl)-4-fura...)Show SMILES CC1=Nc2nc3ccccc3n2C(C1C(=O)Nc1ccc(F)c(Cl)c1)c1ccco1 |t:1| Show InChI InChI=1S/C22H16ClFN4O2/c1-12-19(21(29)26-13-8-9-15(24)14(23)11-13)20(18-7-4-10-30-18)28-17-6-3-2-5-16(17)27-22(28)25-12/h2-11,19-20H,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 | 5.73E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description Inhibition of human purified recombinant aurora-A kinase |
Bioorg Med Chem 18: 8035-43 (2010)
Article DOI: 10.1016/j.bmc.2010.09.020 BindingDB Entry DOI: 10.7270/Q2BZ668Q |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50330564
(CHEMBL1277473 | N-(4-Fluorobenzyl)-4-furan-2-methy...)Show SMILES CC1=Nc2nc3ccccc3n2C(C1C(=O)Nc1ccc(F)cc1)c1ccco1 |t:1| Show InChI InChI=1S/C22H17FN4O2/c1-13-19(21(28)25-15-10-8-14(23)9-11-15)20(18-7-4-12-29-18)27-17-6-3-2-5-16(17)26-22(27)24-13/h2-12,19-20H,1H3,(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 | 6.15E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description Inhibition of human purified recombinant aurora-A kinase |
Bioorg Med Chem 18: 8035-43 (2010)
Article DOI: 10.1016/j.bmc.2010.09.020 BindingDB Entry DOI: 10.7270/Q2BZ668Q |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50330560
(CHEMBL1277293 | N-(4-Methoxybenzyl)-4-furan-2-meth...)Show SMILES COc1ccc(NC(=O)C2C(c3ccco3)n3c(nc4ccccc34)N=C2C)cc1 |c:28| Show InChI InChI=1S/C23H20N4O3/c1-14-20(22(28)25-15-9-11-16(29-2)12-10-15)21(19-8-5-13-30-19)27-18-7-4-3-6-17(18)26-23(27)24-14/h3-13,20-21H,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 | 7.58E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description Inhibition of human purified recombinant aurora-A kinase |
Bioorg Med Chem 18: 8035-43 (2010)
Article DOI: 10.1016/j.bmc.2010.09.020 BindingDB Entry DOI: 10.7270/Q2BZ668Q |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50330565
(4-Furan-6-methyl-N-(4-fluorophenyl)-4,7-dihydro-2H...)Show SMILES CC1=Nc2[nH]ncc2C(C1C(=O)Nc1ccc(F)cc1)c1ccco1 |t:1| Show InChI InChI=1S/C18H15FN4O2/c1-10-15(18(24)22-12-6-4-11(19)5-7-12)16(14-3-2-8-25-14)13-9-20-23-17(13)21-10/h2-9,15-16H,1H3,(H,20,23)(H,22,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 8.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description Inhibition of human purified recombinant aurora-A kinase |
Bioorg Med Chem 18: 8035-43 (2010)
Article DOI: 10.1016/j.bmc.2010.09.020 BindingDB Entry DOI: 10.7270/Q2BZ668Q |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50330546
(4-Furan-6-methyl-N-(4-methoxyphenyl)-4,7-dihydro-2...)Show SMILES COc1ccc(NC(=O)C2C(c3ccco3)c3cn[nH]c3N=C2C)cc1 |c:23| Show InChI InChI=1S/C19H18N4O3/c1-11-16(19(24)22-12-5-7-13(25-2)8-6-12)17(15-4-3-9-26-15)14-10-20-23-18(14)21-11/h3-10,16-17H,1-2H3,(H,20,23)(H,22,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 9.25E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description Inhibition of human purified recombinant aurora-A kinase |
Bioorg Med Chem 18: 8035-43 (2010)
Article DOI: 10.1016/j.bmc.2010.09.020 BindingDB Entry DOI: 10.7270/Q2BZ668Q |
More data for this Ligand-Target Pair | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50330565
(4-Furan-6-methyl-N-(4-fluorophenyl)-4,7-dihydro-2H...)Show SMILES CC1=Nc2[nH]ncc2C(C1C(=O)Nc1ccc(F)cc1)c1ccco1 |t:1| Show InChI InChI=1S/C18H15FN4O2/c1-10-15(18(24)22-12-6-4-11(19)5-7-12)16(14-3-2-8-25-14)13-9-20-23-17(13)21-10/h2-9,15-16H,1H3,(H,20,23)(H,22,24) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.04E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description Inhibition of human full-length Eg5 ATPase activity expressed in Escherichia coli assessed as release of inorganic phosphate after 30 mins |
Bioorg Med Chem 18: 8035-43 (2010)
Article DOI: 10.1016/j.bmc.2010.09.020 BindingDB Entry DOI: 10.7270/Q2BZ668Q |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50330554
(4-Furan-6-methyl-N-(3-chloro-4-fluorophenyl)-4,7-d...)Show SMILES CC1=Nc2[nH]ncc2C(C1C(=O)Nc1ccc(F)c(Cl)c1)c1ccco1 |t:1| Show InChI InChI=1S/C18H14ClFN4O2/c1-9-15(18(25)23-10-4-5-13(20)12(19)7-10)16(14-3-2-6-26-14)11-8-21-24-17(11)22-9/h2-8,15-16H,1H3,(H,21,24)(H,23,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description Inhibition of human purified recombinant aurora-A kinase |
Bioorg Med Chem 18: 8035-43 (2010)
Article DOI: 10.1016/j.bmc.2010.09.020 BindingDB Entry DOI: 10.7270/Q2BZ668Q |
More data for this Ligand-Target Pair | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50330563
(CHEMBL1277294 | N-(4-Nitrobenzyl)-4-furan-2-methyl...)Show SMILES CC1=Nc2nc3ccccc3n2C(C1C(=O)Nc1ccc(cc1)[N+]([O-])=O)c1ccco1 |t:1| Show InChI InChI=1S/C22H17N5O4/c1-13-19(21(28)24-14-8-10-15(11-9-14)27(29)30)20(18-7-4-12-31-18)26-17-6-3-2-5-16(17)25-22(26)23-13/h2-12,19-20H,1H3,(H,24,28) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.09E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description Inhibition of human full-length Eg5 ATPase activity expressed in Escherichia coli assessed as release of inorganic phosphate after 30 mins |
Bioorg Med Chem 18: 8035-43 (2010)
Article DOI: 10.1016/j.bmc.2010.09.020 BindingDB Entry DOI: 10.7270/Q2BZ668Q |
More data for this Ligand-Target Pair | |
Kinesin-like protein KIF11
(Homo sapiens (Human)) | BDBM50224731
(4-(6-chloro-3H-imidazo[4,5-b]pyridin-2-yl)-N,N-dim...)Show InChI InChI=1S/C14H13ClN4/c1-19(2)11-5-3-9(4-6-11)13-17-12-7-10(15)8-16-14(12)18-13/h3-8H,1-2H3,(H,16,17,18) | PDB MMDB
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 | 4.02E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description Inhibition of human full-length Eg5 ATPase activity expressed in Escherichia coli assessed as release of inorganic phosphate after 30 mins |
Bioorg Med Chem 18: 8035-43 (2010)
Article DOI: 10.1016/j.bmc.2010.09.020 BindingDB Entry DOI: 10.7270/Q2BZ668Q |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50330550
(CHEMBL1277474 | N-(4-chlorophenyl)-2,7,7-trimethyl...)Show SMILES CC1=C(C(C2C(=O)CC(C)(C)CC2=N1)c1ccccc1)C(=O)Nc1ccc(Cl)cc1 |c:13,t:1| Show InChI InChI=1S/C25H25ClN2O2/c1-15-21(24(30)28-18-11-9-17(26)10-12-18)22(16-7-5-4-6-8-16)23-19(27-15)13-25(2,3)14-20(23)29/h4-12,22-23H,13-14H2,1-3H3,(H,28,30) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 4.03E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description Inhibition of human purified recombinant aurora-A kinase |
Bioorg Med Chem 18: 8035-43 (2010)
Article DOI: 10.1016/j.bmc.2010.09.020 BindingDB Entry DOI: 10.7270/Q2BZ668Q |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50216502
(4-(3-hydroxy-phenyl)-6-methyl-2-thioxo-1,2,3,4-tet...)Show SMILES CCOC(=O)C1C(NC(=S)N=C1C)c1cccc(O)c1 |w:6.13,c:10| Show InChI InChI=1S/C14H16N2O3S/c1-3-19-13(18)11-8(2)15-14(20)16-12(11)9-5-4-6-10(17)7-9/h4-7,11-12,17H,3H2,1-2H3,(H,16,20) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description Inhibition of human purified recombinant aurora-A kinase |
Bioorg Med Chem 18: 8035-43 (2010)
Article DOI: 10.1016/j.bmc.2010.09.020 BindingDB Entry DOI: 10.7270/Q2BZ668Q |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50198311
((R)-N-(1-(3-benzyl-7-chloro-4-oxo-3,4-dihydroquina...)Show SMILES CC[C@@H](N(CCCN(C)C)C(=O)c1ccc(Br)cc1)c1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1 Show InChI InChI=1S/C30H32BrClN4O2/c1-4-27(35(18-8-17-34(2)3)29(37)22-11-13-23(31)14-12-22)28-33-26-19-24(32)15-16-25(26)30(38)36(28)20-21-9-6-5-7-10-21/h5-7,9-16,19,27H,4,8,17-18,20H2,1-3H3/t27-/m1/s1 | 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 | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description Inhibition of human purified recombinant aurora-A kinase |
Bioorg Med Chem 18: 8035-43 (2010)
Article DOI: 10.1016/j.bmc.2010.09.020 BindingDB Entry DOI: 10.7270/Q2BZ668Q |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50330561
(4-Furan-6-methyl-N-(4-nitrophenyl)-4,7-dihydro-2Hp...)Show SMILES CC1=Nc2[nH]ncc2C(C1C(=O)Nc1ccc(cc1)[N+]([O-])=O)c1ccco1 |t:1| Show InChI InChI=1S/C18H15N5O4/c1-10-15(18(24)21-11-4-6-12(7-5-11)23(25)26)16(14-3-2-8-27-14)13-9-19-22-17(13)20-10/h2-9,15-16H,1H3,(H,19,22)(H,21,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description Inhibition of human purified recombinant aurora-A kinase |
Bioorg Med Chem 18: 8035-43 (2010)
Article DOI: 10.1016/j.bmc.2010.09.020 BindingDB Entry DOI: 10.7270/Q2BZ668Q |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50330555
(4-Thiophene-6-methyl-N-(3-chloro-4-fluorophenyl)-4...)Show SMILES CC1=Nc2[nH]ncc2C(C1C(=O)Nc1ccc(F)c(Cl)c1)c1cccs1 |t:1| Show InChI InChI=1S/C18H14ClFN4OS/c1-9-15(18(25)23-10-4-5-13(20)12(19)7-10)16(14-3-2-6-26-14)11-8-21-24-17(11)22-9/h2-8,15-16H,1H3,(H,21,24)(H,23,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description Inhibition of human purified recombinant aurora-A kinase |
Bioorg Med Chem 18: 8035-43 (2010)
Article DOI: 10.1016/j.bmc.2010.09.020 BindingDB Entry DOI: 10.7270/Q2BZ668Q |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50330552
(4-Thiophene-6-methyl-N-(4-trifluoromethylphenyl)-4...)Show SMILES CC1=Nc2[nH]ncc2C(C1C(=O)Nc1ccc(cc1)C(F)(F)F)c1cccs1 |t:1| Show InChI InChI=1S/C19H15F3N4OS/c1-10-15(18(27)25-12-6-4-11(5-7-12)19(20,21)22)16(14-3-2-8-28-14)13-9-23-26-17(13)24-10/h2-9,15-16H,1H3,(H,23,26)(H,25,27) | 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 | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description Inhibition of human purified recombinant aurora-A kinase |
Bioorg Med Chem 18: 8035-43 (2010)
Article DOI: 10.1016/j.bmc.2010.09.020 BindingDB Entry DOI: 10.7270/Q2BZ668Q |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50330556
(4-Thiophene-6-methyl-N-(4-nitrophenyl)-4,7-dihydro...)Show SMILES CC1=Nc2[nH]ncc2C(C1C(=O)Nc1ccc(cc1)[N+]([O-])=O)c1cccs1 |t:1| Show InChI InChI=1S/C18H15N5O3S/c1-10-15(18(24)21-11-4-6-12(7-5-11)23(25)26)16(14-3-2-8-27-14)13-9-19-22-17(13)20-10/h2-9,15-16H,1H3,(H,19,22)(H,21,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University
Curated by ChEMBL
| Assay Description Inhibition of human purified recombinant aurora-A kinase |
Bioorg Med Chem 18: 8035-43 (2010)
Article DOI: 10.1016/j.bmc.2010.09.020 BindingDB Entry DOI: 10.7270/Q2BZ668Q |
More data for this Ligand-Target Pair | |