Found 1720 hits with Last Name = 'kubbutat' and Initial = 'm' 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 |
Cyclin-dependent kinase 1
(Homo sapiens (Human)) | BDBM84533
(Alsterpaullone derivative, 7 | BDBM50375663)Show SMILES [O-][N+](=O)c1ccc2[nH]c-3c(CC(=O)Nc4ccc(CCC#N)cc-34)c2c1 Show InChI InChI=1S/C19H14N4O3/c20-7-1-2-11-3-5-17-15(8-11)19-14(10-18(24)21-17)13-9-12(23(25)26)4-6-16(13)22-19/h3-6,8-9,22H,1-2,10H2,(H,21,24) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.230 | n/a | n/a | n/a | n/a | 7.5 | 30 |
Technische Universität Braunschweig
| Assay Description Kinase activity assay using GSK-3beta, CDK1/cyclin B and CDK5/p25. |
Chembiochem 6: 541-9 (2005)
Article DOI: 10.1002/cbic.200400099 BindingDB Entry DOI: 10.7270/Q2FX780X |
More data for this Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM84533
(Alsterpaullone derivative, 7 | BDBM50375663)Show SMILES [O-][N+](=O)c1ccc2[nH]c-3c(CC(=O)Nc4ccc(CCC#N)cc-34)c2c1 Show InChI InChI=1S/C19H14N4O3/c20-7-1-2-11-3-5-17-15(8-11)19-14(10-18(24)21-17)13-9-12(23(25)26)4-6-16(13)22-19/h3-6,8-9,22H,1-2,10H2,(H,21,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | 7.5 | 30 |
Technische Universität Braunschweig
| Assay Description Kinase activity assay using GSK-3beta, CDK1/cyclin B and CDK5/p25. |
Chembiochem 6: 541-9 (2005)
Article DOI: 10.1002/cbic.200400099 BindingDB Entry DOI: 10.7270/Q2FX780X |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM4626
(Anilinoquinazoline deriv. 9 | CHEMBL301018 | N-(3-...)Show InChI InChI=1S/C16H13ClFN3O2/c1-22-14-6-10-13(7-15(14)23-2)19-8-20-16(10)21-9-3-4-12(18)11(17)5-9/h3-8H,1-2H3,(H,19,20,21) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
4SC AG
Curated by ChEMBL
| Assay Description Inhibition of EGFR by virtual HTS assay |
Bioorg Med Chem Lett 19: 1349-56 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.054 BindingDB Entry DOI: 10.7270/Q2736QS3 |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM5447
(CHEMBL939 | GEFITINIB | Iressa | N-(3-Chloro-4-flu...)Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1 Show InChI InChI=1S/C22H24ClFN4O3/c1-29-20-13-19-16(12-21(20)31-8-2-5-28-6-9-30-10-7-28)22(26-14-25-19)27-15-3-4-18(24)17(23)11-15/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank MMDB PDB US Patent
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | 7.5 | 30 |
Synovo GmbH
US Patent
| Assay Description FlashPlates from Perkin Elmer (Boston, Mass., USA) with a 50 μl reaction volume are used. The reaction cocktail was pipetted in 4 steps in the fol... |
US Patent US9416123 (2016)
BindingDB Entry DOI: 10.7270/Q2V123PP |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Epidermal growth factor receptor [L858R]
(Homo sapiens (Human)) | BDBM5447
(CHEMBL939 | GEFITINIB | Iressa | N-(3-Chloro-4-flu...)Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1 Show InChI InChI=1S/C22H24ClFN4O3/c1-29-20-13-19-16(12-21(20)31-8-2-5-28-6-9-30-10-7-28)22(26-14-25-19)27-15-3-4-18(24)17(23)11-15/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB US Patent
| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | 7.5 | 30 |
Synovo GmbH
US Patent
| Assay Description FlashPlates from Perkin Elmer (Boston, Mass., USA) with a 50 μl reaction volume are used. The reaction cocktail was pipetted in 4 steps in the fol... |
US Patent US9416123 (2016)
BindingDB Entry DOI: 10.7270/Q2V123PP |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50304196
(CHEMBL593860 | N-[4-(Benzo[d]thiazol-2''-yl)-3-hyd...)Show SMILES COc1cc2c(Nc3ccc(-c4nc5ccccc5s4)c(OC)c3)ncnc2cc1OCCCN1CCN(C)CC1 Show InChI InChI=1S/C31H34N6O3S/c1-36-12-14-37(15-13-36)11-6-16-40-28-19-25-23(18-27(28)39-3)30(33-20-32-25)34-21-9-10-22(26(17-21)38-2)31-35-24-7-4-5-8-29(24)41-31/h4-5,7-10,17-20H,6,11-16H2,1-3H3,(H,32,33,34) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
4SC AG
Curated by ChEMBL
| Assay Description Inhibition of wild type EGF-R by microplate scintillation counting |
Bioorg Med Chem 17: 6728-37 (2009)
Article DOI: 10.1016/j.bmc.2009.07.047 BindingDB Entry DOI: 10.7270/Q2FJ2GWC |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor [1-751,75360-1210]
(Homo sapiens (Human)) | BDBM5447
(CHEMBL939 | GEFITINIB | Iressa | N-(3-Chloro-4-flu...)Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1 Show InChI InChI=1S/C22H24ClFN4O3/c1-29-20-13-19-16(12-21(20)31-8-2-5-28-6-9-30-10-7-28)22(26-14-25-19)27-15-3-4-18(24)17(23)11-15/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB US Patent
| n/a | n/a | 2.10 | n/a | n/a | n/a | n/a | 7.5 | 30 |
Synovo GmbH
US Patent
| Assay Description FlashPlates from Perkin Elmer (Boston, Mass., USA) with a 50 μl reaction volume are used. The reaction cocktail was pipetted in 4 steps in the fol... |
US Patent US9416123 (2016)
BindingDB Entry DOI: 10.7270/Q2V123PP |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Epidermal growth factor receptor [L861Q]
(Homo sapiens (Human)) | BDBM5447
(CHEMBL939 | GEFITINIB | Iressa | N-(3-Chloro-4-flu...)Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1 Show InChI InChI=1S/C22H24ClFN4O3/c1-29-20-13-19-16(12-21(20)31-8-2-5-28-6-9-30-10-7-28)22(26-14-25-19)27-15-3-4-18(24)17(23)11-15/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB US Patent
| n/a | n/a | 2.20 | n/a | n/a | n/a | n/a | 7.5 | 30 |
Synovo GmbH
US Patent
| Assay Description FlashPlates from Perkin Elmer (Boston, Mass., USA) with a 50 μl reaction volume are used. The reaction cocktail was pipetted in 4 steps in the fol... |
US Patent US9416123 (2016)
BindingDB Entry DOI: 10.7270/Q2V123PP |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Epidermal growth factor receptor [1-746,753-1210,P753S]
(Homo sapiens (Human)) | BDBM5447
(CHEMBL939 | GEFITINIB | Iressa | N-(3-Chloro-4-flu...)Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1 Show InChI InChI=1S/C22H24ClFN4O3/c1-29-20-13-19-16(12-21(20)31-8-2-5-28-6-9-30-10-7-28)22(26-14-25-19)27-15-3-4-18(24)17(23)11-15/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB US Patent
| n/a | n/a | 2.20 | n/a | n/a | n/a | n/a | 7.5 | 30 |
Synovo GmbH
US Patent
| Assay Description FlashPlates from Perkin Elmer (Boston, Mass., USA) with a 50 μl reaction volume are used. The reaction cocktail was pipetted in 4 steps in the fol... |
US Patent US9416123 (2016)
BindingDB Entry DOI: 10.7270/Q2V123PP |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM84530
(Alsterpaullone derivative, 4)Show SMILES NCCCc1ccc2NC(=O)Cc3c([nH]c4ccc(cc34)[N+]([O-])=O)-c2c1 Show InChI InChI=1S/C19H18N4O3/c20-7-1-2-11-3-5-17-15(8-11)19-14(10-18(24)21-17)13-9-12(23(25)26)4-6-16(13)22-19/h3-6,8-9,22H,1-2,7,10,20H2,(H,21,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | 7.5 | 30 |
Technische Universität Braunschweig
| Assay Description Kinase activity assay using GSK-3beta, CDK1/cyclin B and CDK5/p25. |
Chembiochem 6: 541-9 (2005)
Article DOI: 10.1002/cbic.200400099 BindingDB Entry DOI: 10.7270/Q2FX780X |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM5447
(CHEMBL939 | GEFITINIB | Iressa | N-(3-Chloro-4-flu...)Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1 Show InChI InChI=1S/C22H24ClFN4O3/c1-29-20-13-19-16(12-21(20)31-8-2-5-28-6-9-30-10-7-28)22(26-14-25-19)27-15-3-4-18(24)17(23)11-15/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank MMDB PDB US Patent
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | 7.5 | 30 |
Synovo GmbH
US Patent
| Assay Description FlashPlates from Perkin Elmer (Boston, Mass., USA) with a 50 μl reaction volume are used. The reaction cocktail was pipetted in 4 steps in the fol... |
US Patent US9416123 (2016)
BindingDB Entry DOI: 10.7270/Q2V123PP |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Epidermal growth factor receptor [1-746,750-1210,A750P]
(Homo sapiens (Human)) | BDBM5447
(CHEMBL939 | GEFITINIB | Iressa | N-(3-Chloro-4-flu...)Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1 Show InChI InChI=1S/C22H24ClFN4O3/c1-29-20-13-19-16(12-21(20)31-8-2-5-28-6-9-30-10-7-28)22(26-14-25-19)27-15-3-4-18(24)17(23)11-15/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB US Patent
| n/a | n/a | 3.10 | n/a | n/a | n/a | n/a | 7.5 | 30 |
Synovo GmbH
US Patent
| Assay Description FlashPlates from Perkin Elmer (Boston, Mass., USA) with a 50 μl reaction volume are used. The reaction cocktail was pipetted in 4 steps in the fol... |
US Patent US9416123 (2016)
BindingDB Entry DOI: 10.7270/Q2V123PP |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Receptor-interacting serine/threonine-protein kinase 2
(Homo sapiens (Human)) | BDBM5447
(CHEMBL939 | GEFITINIB | Iressa | N-(3-Chloro-4-flu...)Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1 Show InChI InChI=1S/C22H24ClFN4O3/c1-29-20-13-19-16(12-21(20)31-8-2-5-28-6-9-30-10-7-28)22(26-14-25-19)27-15-3-4-18(24)17(23)11-15/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| US Patent
| n/a | n/a | 3.80 | n/a | n/a | n/a | n/a | 7.5 | 30 |
Synovo GmbH
US Patent
| Assay Description FlashPlates from Perkin Elmer (Boston, Mass., USA) with a 50 μl reaction volume are used. The reaction cocktail was pipetted in 4 steps in the fol... |
US Patent US9416123 (2016)
BindingDB Entry DOI: 10.7270/Q2V123PP |
More data for this Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM7262
(14-nitro-8,18-diazatetracyclo[9.7.0.0^{2,7}.0^{12,...)Show SMILES [O-][N+](=O)c1ccc2[nH]c-3c(CC(=O)Nc4ccccc-34)c2c1 Show InChI InChI=1S/C16H11N3O3/c20-15-8-12-11-7-9(19(21)22)5-6-14(11)18-16(12)10-3-1-2-4-13(10)17-15/h1-7,18H,8H2,(H,17,20) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | 7.5 | 30 |
Technische Universität Braunschweig
| Assay Description Kinase activity assay using GSK-3beta, CDK1/cyclin B and CDK5/p25. |
Chembiochem 6: 541-9 (2005)
Article DOI: 10.1002/cbic.200400099 BindingDB Entry DOI: 10.7270/Q2FX780X |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Epidermal growth factor receptor [G719C]
(Homo sapiens (Human)) | BDBM5447
(CHEMBL939 | GEFITINIB | Iressa | N-(3-Chloro-4-flu...)Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1 Show InChI InChI=1S/C22H24ClFN4O3/c1-29-20-13-19-16(12-21(20)31-8-2-5-28-6-9-30-10-7-28)22(26-14-25-19)27-15-3-4-18(24)17(23)11-15/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27) | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB US Patent
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | 7.5 | 30 |
Synovo GmbH
US Patent
| Assay Description FlashPlates from Perkin Elmer (Boston, Mass., USA) with a 50 μl reaction volume are used. The reaction cocktail was pipetted in 4 steps in the fol... |
US Patent US9416123 (2016)
BindingDB Entry DOI: 10.7270/Q2V123PP |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50304196
(CHEMBL593860 | N-[4-(Benzo[d]thiazol-2''-yl)-3-hyd...)Show SMILES COc1cc2c(Nc3ccc(-c4nc5ccccc5s4)c(OC)c3)ncnc2cc1OCCCN1CCN(C)CC1 Show InChI InChI=1S/C31H34N6O3S/c1-36-12-14-37(15-13-36)11-6-16-40-28-19-25-23(18-27(28)39-3)30(33-20-32-25)34-21-9-10-22(26(17-21)38-2)31-35-24-7-4-5-8-29(24)41-31/h4-5,7-10,17-20H,6,11-16H2,1-3H3,(H,32,33,34) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL 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 |
4SC AG
Curated by ChEMBL
| Assay Description Inhibition of ERBB2 by microplate scintillation counting |
Bioorg Med Chem 17: 6728-37 (2009)
Article DOI: 10.1016/j.bmc.2009.07.047 BindingDB Entry DOI: 10.7270/Q2FJ2GWC |
More data for this Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM84529
(Alsterpaullone derivative, 3)Show SMILES NCCCCc1ccc2NC(=O)Cc3c([nH]c4ccc(cc34)[N+]([O-])=O)-c2c1 Show InChI InChI=1S/C20H20N4O3/c21-8-2-1-3-12-4-6-18-16(9-12)20-15(11-19(25)22-18)14-10-13(24(26)27)5-7-17(14)23-20/h4-7,9-10,23H,1-3,8,11,21H2,(H,22,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | 7.5 | 30 |
Technische Universität Braunschweig
| Assay Description Kinase activity assay using GSK-3beta, CDK1/cyclin B and CDK5/p25. |
Chembiochem 6: 541-9 (2005)
Article DOI: 10.1002/cbic.200400099 BindingDB Entry DOI: 10.7270/Q2FX780X |
More data for this Ligand-Target Pair | |
Histone-lysine N-methyltransferase EHMT1
(Homo sapiens (Human)) | BDBM50512623
(CHEMBL4582775)Show SMILES COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1C#CCN1CCCC1)N1CCCN(C)CC1 Show InChI InChI=1S/C28H41N7O/c1-32-11-7-15-35(19-18-32)28-30-25-20-22(8-6-14-34-12-4-5-13-34)26(36-3)21-24(25)27(31-28)29-23-9-16-33(2)17-10-23/h20-21,23H,4-5,7,9-19H2,1-3H3,(H,29,30,31) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Mercachem BV
Curated by ChEMBL
| Assay Description Inhibition of N-terminal GST tagged human recombinant EHMT1 (794 to 1294 residues) expressed in baculovirus infected Sf9 insect cells assessed as red... |
Bioorg Med Chem Lett 29: 2516-2524 (2019)
Article DOI: 10.1016/j.bmcl.2019.06.012 BindingDB Entry DOI: 10.7270/Q2ZW1Q8X |
More data for this Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM84531
(Alsterpaullone derivative, 5)Show SMILES OC(=O)CCc1ccc2NC(=O)Cc3c([nH]c4ccc(cc34)[N+]([O-])=O)-c2c1 Show InChI InChI=1S/C19H15N3O5/c23-17-9-13-12-8-11(22(26)27)3-5-15(12)21-19(13)14-7-10(2-6-18(24)25)1-4-16(14)20-17/h1,3-5,7-8,21H,2,6,9H2,(H,20,23)(H,24,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 6.5 | n/a | n/a | n/a | n/a | 7.5 | 30 |
Technische Universität Braunschweig
| Assay Description Kinase activity assay using GSK-3beta, CDK1/cyclin B and CDK5/p25. |
Chembiochem 6: 541-9 (2005)
Article DOI: 10.1002/cbic.200400099 BindingDB Entry DOI: 10.7270/Q2FX780X |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor [G719S]
(Homo sapiens (Human)) | BDBM5447
(CHEMBL939 | GEFITINIB | Iressa | N-(3-Chloro-4-flu...)Show SMILES COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1 Show InChI InChI=1S/C22H24ClFN4O3/c1-29-20-13-19-16(12-21(20)31-8-2-5-28-6-9-30-10-7-28)22(26-14-25-19)27-15-3-4-18(24)17(23)11-15/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27) | PDB
UniProtKB/SwissProt
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CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB US Patent
| n/a | n/a | 6.70 | n/a | n/a | n/a | n/a | 7.5 | 30 |
Synovo GmbH
US Patent
| Assay Description FlashPlates from Perkin Elmer (Boston, Mass., USA) with a 50 μl reaction volume are used. The reaction cocktail was pipetted in 4 steps in the fol... |
US Patent US9416123 (2016)
BindingDB Entry DOI: 10.7270/Q2V123PP |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Histone-lysine N-methyltransferase EHMT1
(Homo sapiens (Human)) | BDBM50512620
(CHEMBL4461224)Show SMILES COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1CCCN(C)C)N1CCCN(C)CC1 Show InChI InChI=1S/C26H43N7O/c1-30(2)11-6-8-20-18-23-22(19-24(20)34-5)25(27-21-9-14-32(4)15-10-21)29-26(28-23)33-13-7-12-31(3)16-17-33/h18-19,21H,6-17H2,1-5H3,(H,27,28,29) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Mercachem BV
Curated by ChEMBL
| Assay Description Inhibition of N-terminal GST tagged human recombinant EHMT1 (794 to 1294 residues) expressed in baculovirus infected Sf9 insect cells assessed as red... |
Bioorg Med Chem Lett 29: 2516-2524 (2019)
Article DOI: 10.1016/j.bmcl.2019.06.012 BindingDB Entry DOI: 10.7270/Q2ZW1Q8X |
More data for this Ligand-Target Pair | |
Histone-lysine N-methyltransferase EHMT1
(Homo sapiens (Human)) | BDBM50512644
(CHEMBL4467219)Show SMILES COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1CCCN1CCCC1)N1CCCN(C)CC1 Show InChI InChI=1S/C28H45N7O/c1-32-11-7-15-35(19-18-32)28-30-25-20-22(8-6-14-34-12-4-5-13-34)26(36-3)21-24(25)27(31-28)29-23-9-16-33(2)17-10-23/h20-21,23H,4-19H2,1-3H3,(H,29,30,31) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Mercachem BV
Curated by ChEMBL
| Assay Description Inhibition of N-terminal GST tagged human recombinant EHMT1 (794 to 1294 residues) expressed in baculovirus infected Sf9 insect cells assessed as red... |
Bioorg Med Chem Lett 29: 2516-2524 (2019)
Article DOI: 10.1016/j.bmcl.2019.06.012 BindingDB Entry DOI: 10.7270/Q2ZW1Q8X |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50304197
(CHEMBL593987 | N-(4-(benzo[d]thiazol-2-yl)-3-fluor...)Show SMILES COc1cc2c(Nc3ccc(-c4nc5ccccc5s4)c(F)c3)ncnc2cc1OCCCN1CCN(C)CC1 Show InChI InChI=1S/C30H31FN6O2S/c1-36-11-13-37(14-12-36)10-5-15-39-27-18-25-22(17-26(27)38-2)29(33-19-32-25)34-20-8-9-21(23(31)16-20)30-35-24-6-3-4-7-28(24)40-30/h3-4,6-9,16-19H,5,10-15H2,1-2H3,(H,32,33,34) | 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 | n/a | n/a | n/a | n/a | n/a | n/a |
4SC AG
Curated by ChEMBL
| Assay Description Inhibition of Aurora-A by microplate scintillation counting |
Bioorg Med Chem 17: 6728-37 (2009)
Article DOI: 10.1016/j.bmc.2009.07.047 BindingDB Entry DOI: 10.7270/Q2FJ2GWC |
More data for this Ligand-Target Pair | |
Angiopoietin-1 receptor
(Homo sapiens (Human)) | BDBM50304197
(CHEMBL593987 | N-(4-(benzo[d]thiazol-2-yl)-3-fluor...)Show SMILES COc1cc2c(Nc3ccc(-c4nc5ccccc5s4)c(F)c3)ncnc2cc1OCCCN1CCN(C)CC1 Show InChI InChI=1S/C30H31FN6O2S/c1-36-11-13-37(14-12-36)10-5-15-39-27-18-25-22(17-26(27)38-2)29(33-19-32-25)34-20-8-9-21(23(31)16-20)30-35-24-6-3-4-7-28(24)40-30/h3-4,6-9,16-19H,5,10-15H2,1-2H3,(H,32,33,34) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
4SC AG
Curated by ChEMBL
| Assay Description Inhibition of TIE2 by microplate scintillation counting |
Bioorg Med Chem 17: 6728-37 (2009)
Article DOI: 10.1016/j.bmc.2009.07.047 BindingDB Entry DOI: 10.7270/Q2FJ2GWC |
More data for this Ligand-Target Pair | |
Histone-lysine N-methyltransferase EHMT1
(Homo sapiens (Human)) | BDBM50512624
(CHEMBL4568910)Show SMILES COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1C#CCN(C)C)N1CCCN(C)CC1 Show InChI InChI=1S/C26H39N7O/c1-30(2)11-6-8-20-18-23-22(19-24(20)34-5)25(27-21-9-14-32(4)15-10-21)29-26(28-23)33-13-7-12-31(3)16-17-33/h18-19,21H,7,9-17H2,1-5H3,(H,27,28,29) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Mercachem BV
Curated by ChEMBL
| Assay Description Inhibition of N-terminal GST tagged human recombinant EHMT1 (794 to 1294 residues) expressed in baculovirus infected Sf9 insect cells assessed as red... |
Bioorg Med Chem Lett 29: 2516-2524 (2019)
Article DOI: 10.1016/j.bmcl.2019.06.012 BindingDB Entry DOI: 10.7270/Q2ZW1Q8X |
More data for this Ligand-Target Pair | |
Histone-lysine N-methyltransferase EHMT1
(Homo sapiens (Human)) | BDBM50446376
(CHEMBL3109630)Show SMILES COc1cc2c(cc1OCCCN1CCCC1)N=C(N)C21CCC1 |t:19| Show InChI InChI=1S/C19H27N3O2/c1-23-16-12-14-15(21-18(20)19(14)6-4-7-19)13-17(16)24-11-5-10-22-8-2-3-9-22/h12-13H,2-11H2,1H3,(H2,20,21) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Mercachem BV
Curated by ChEMBL
| Assay Description Inhibition of N-terminal GST tagged human recombinant EHMT1 (794 to 1294 residues) expressed in baculovirus infected Sf9 insect cells assessed as red... |
Bioorg Med Chem Lett 29: 2516-2524 (2019)
Article DOI: 10.1016/j.bmcl.2019.06.012 BindingDB Entry DOI: 10.7270/Q2ZW1Q8X |
More data for this Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50308196
(2-(3-Chloro-4-hydroxyanilino)-9-methoxy-5,7-dihydr...)Show SMILES COc1ccc-2c(NC(=O)Cc3cnc(Nc4ccc(O)c(Cl)c4)nc-23)c1 Show InChI InChI=1S/C19H15ClN4O3/c1-27-12-3-4-13-15(8-12)23-17(26)6-10-9-21-19(24-18(10)13)22-11-2-5-16(25)14(20)7-11/h2-5,7-9,25H,6H2,1H3,(H,23,26)(H,21,22,24) | 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 | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universitat Braunschweig
Curated by ChEMBL
| Assay Description Inhibition of VEGFR2 assessed as [33Pi] incorporation by microplate scintillation counting in presence of 1 uM ATP |
J Med Chem 53: 2433-42 (2010)
Article DOI: 10.1021/jm901388c BindingDB Entry DOI: 10.7270/Q24J0G22 |
More data for this Ligand-Target Pair | |
Histone-lysine N-methyltransferase EHMT1
(Homo sapiens (Human)) | BDBM50512662
(CHEMBL4464846)Show SMILES COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1CCCN(C)CCO)N1CCCN(C)CC1 Show InChI InChI=1S/C27H45N7O2/c1-31-11-6-12-34(16-15-31)27-29-24-19-21(7-5-10-32(2)17-18-35)25(36-4)20-23(24)26(30-27)28-22-8-13-33(3)14-9-22/h19-20,22,35H,5-18H2,1-4H3,(H,28,29,30) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Mercachem BV
Curated by ChEMBL
| Assay Description Inhibition of N-terminal GST tagged human recombinant EHMT1 (794 to 1294 residues) expressed in baculovirus infected Sf9 insect cells assessed as red... |
Bioorg Med Chem Lett 29: 2516-2524 (2019)
Article DOI: 10.1016/j.bmcl.2019.06.012 BindingDB Entry DOI: 10.7270/Q2ZW1Q8X |
More data for this Ligand-Target Pair | |
Histone-lysine N-methyltransferase EHMT1
(Homo sapiens (Human)) | BDBM50512645
(CHEMBL4532743)Show SMILES COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1C#CCN1CCCC1=O)N1CCCN(C)CC1 Show InChI InChI=1S/C28H39N7O2/c1-32-11-6-14-35(18-17-32)28-30-24-19-21(7-4-12-34-13-5-8-26(34)36)25(37-3)20-23(24)27(31-28)29-22-9-15-33(2)16-10-22/h19-20,22H,5-6,8-18H2,1-3H3,(H,29,30,31) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Mercachem BV
Curated by ChEMBL
| Assay Description Inhibition of N-terminal GST tagged human recombinant EHMT1 (794 to 1294 residues) expressed in baculovirus infected Sf9 insect cells assessed as red... |
Bioorg Med Chem Lett 29: 2516-2524 (2019)
Article DOI: 10.1016/j.bmcl.2019.06.012 BindingDB Entry DOI: 10.7270/Q2ZW1Q8X |
More data for this Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50304207
(CHEMBL595615 | N-(4-(benzo[d]thiazol-2-yl)phenyl)-...)Show SMILES COc1cc2c(Nc3ccc(cc3)-c3nc4ccccc4s3)ncnc2cc1OCCCN1CCN(C)CC1 Show InChI InChI=1S/C30H32N6O2S/c1-35-13-15-36(16-14-35)12-5-17-38-27-19-25-23(18-26(27)37-2)29(32-20-31-25)33-22-10-8-21(9-11-22)30-34-24-6-3-4-7-28(24)39-30/h3-4,6-11,18-20H,5,12-17H2,1-2H3,(H,31,32,33) | 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 | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
4SC AG
Curated by ChEMBL
| Assay Description Inhibition of VEGFR2 by microplate scintillation counting |
Bioorg Med Chem 17: 6728-37 (2009)
Article DOI: 10.1016/j.bmc.2009.07.047 BindingDB Entry DOI: 10.7270/Q2FJ2GWC |
More data for this Ligand-Target Pair | |
Histone-lysine N-methyltransferase EHMT2
(Homo sapiens (Human)) | BDBM50446376
(CHEMBL3109630)Show SMILES COc1cc2c(cc1OCCCN1CCCC1)N=C(N)C21CCC1 |t:19| Show InChI InChI=1S/C19H27N3O2/c1-23-16-12-14-15(21-18(20)19(14)6-4-7-19)13-17(16)24-11-5-10-22-8-2-3-9-22/h12-13H,2-11H2,1H3,(H2,20,21) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Mercachem BV
Curated by ChEMBL
| Assay Description Inhibition of N-terminal GST tagged human recombinant EHMT2 (785 to 1210 residues) expressed in baculovirus infected Sf9 insect cells assessed as red... |
Bioorg Med Chem Lett 29: 2516-2524 (2019)
Article DOI: 10.1016/j.bmcl.2019.06.012 BindingDB Entry DOI: 10.7270/Q2ZW1Q8X |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Histone-lysine N-methyltransferase EHMT1
(Homo sapiens (Human)) | BDBM50353128
(CHEMBL1231795)Show SMILES COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1OCCCN1CCCC1)C1CCCCC1 Show InChI InChI=1S/C30H47N5O2/c1-22(2)35-17-12-24(13-18-35)31-30-25-20-27(36-3)28(37-19-9-16-34-14-7-8-15-34)21-26(25)32-29(33-30)23-10-5-4-6-11-23/h20-24H,4-19H2,1-3H3,(H,31,32,33) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Mercachem BV
Curated by ChEMBL
| Assay Description Inhibition of N-terminal GST tagged human recombinant EHMT1 (794 to 1294 residues) expressed in baculovirus infected Sf9 insect cells assessed as red... |
Bioorg Med Chem Lett 29: 2516-2524 (2019)
Article DOI: 10.1016/j.bmcl.2019.06.012 BindingDB Entry DOI: 10.7270/Q2ZW1Q8X |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Histone-lysine N-methyltransferase EHMT2
(Homo sapiens (Human)) | BDBM50512623
(CHEMBL4582775)Show SMILES COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1C#CCN1CCCC1)N1CCCN(C)CC1 Show InChI InChI=1S/C28H41N7O/c1-32-11-7-15-35(19-18-32)28-30-25-20-22(8-6-14-34-12-4-5-13-34)26(36-3)21-24(25)27(31-28)29-23-9-16-33(2)17-10-23/h20-21,23H,4-5,7,9-19H2,1-3H3,(H,29,30,31) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Mercachem BV
Curated by ChEMBL
| Assay Description Inhibition of N-terminal GST tagged human recombinant EHMT2 (785 to 1210 residues) expressed in baculovirus infected Sf9 insect cells assessed as red... |
Bioorg Med Chem Lett 29: 2516-2524 (2019)
Article DOI: 10.1016/j.bmcl.2019.06.012 BindingDB Entry DOI: 10.7270/Q2ZW1Q8X |
More data for this Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50304207
(CHEMBL595615 | N-(4-(benzo[d]thiazol-2-yl)phenyl)-...)Show SMILES COc1cc2c(Nc3ccc(cc3)-c3nc4ccccc4s3)ncnc2cc1OCCCN1CCN(C)CC1 Show InChI InChI=1S/C30H32N6O2S/c1-35-13-15-36(16-14-35)12-5-17-38-27-19-25-23(18-26(27)37-2)29(32-20-31-25)33-22-10-8-21(9-11-22)30-34-24-6-3-4-7-28(24)39-30/h3-4,6-11,18-20H,5,12-17H2,1-2H3,(H,31,32,33) | 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 | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
4SC AG
Curated by ChEMBL
| Assay Description Inhibition of Aurora-A by microplate scintillation counting |
Bioorg Med Chem 17: 6728-37 (2009)
Article DOI: 10.1016/j.bmc.2009.07.047 BindingDB Entry DOI: 10.7270/Q2FJ2GWC |
More data for this Ligand-Target Pair | |
Histone-lysine N-methyltransferase EHMT2
(Homo sapiens (Human)) | BDBM50512620
(CHEMBL4461224)Show SMILES COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1CCCN(C)C)N1CCCN(C)CC1 Show InChI InChI=1S/C26H43N7O/c1-30(2)11-6-8-20-18-23-22(19-24(20)34-5)25(27-21-9-14-32(4)15-10-21)29-26(28-23)33-13-7-12-31(3)16-17-33/h18-19,21H,6-17H2,1-5H3,(H,27,28,29) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Mercachem BV
Curated by ChEMBL
| Assay Description Inhibition of N-terminal GST tagged human recombinant EHMT2 (785 to 1210 residues) expressed in baculovirus infected Sf9 insect cells assessed as red... |
Bioorg Med Chem Lett 29: 2516-2524 (2019)
Article DOI: 10.1016/j.bmcl.2019.06.012 BindingDB Entry DOI: 10.7270/Q2ZW1Q8X |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50304220
(CHEMBL593911 | N-[4-(Benzo[d]thiazol-2''-yl)-3-met...)Show SMILES COc1cc2ncnc(Nc3ccc(-c4nc5ccccc5s4)c(OC)c3)c2cc1OCCCN1CCN(C)CC1 Show InChI InChI=1S/C31H34N6O3S/c1-36-12-14-37(15-13-36)11-6-16-40-28-18-23-25(19-27(28)39-3)32-20-33-30(23)34-21-9-10-22(26(17-21)38-2)31-35-24-7-4-5-8-29(24)41-31/h4-5,7-10,17-20H,6,11-16H2,1-3H3,(H,32,33,34) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
4SC AG
Curated by ChEMBL
| Assay Description Inhibition of wild type EGF-R by microplate scintillation counting |
Bioorg Med Chem 17: 6728-37 (2009)
Article DOI: 10.1016/j.bmc.2009.07.047 BindingDB Entry DOI: 10.7270/Q2FJ2GWC |
More data for this Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50308194
(2-(3-Hydroxyanilino)-9-methoxy-5,7-dihydro-6H-pyri...)Show SMILES COc1ccc-2c(NC(=O)Cc3cnc(Nc4cccc(O)c4)nc-23)c1 Show InChI InChI=1S/C19H16N4O3/c1-26-14-5-6-15-16(9-14)22-17(25)7-11-10-20-19(23-18(11)15)21-12-3-2-4-13(24)8-12/h2-6,8-10,24H,7H2,1H3,(H,22,25)(H,20,21,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universitat Braunschweig
Curated by ChEMBL
| Assay Description Inhibition of VEGFR2 assessed as [33Pi] incorporation by microplate scintillation counting in presence of 1 uM ATP |
J Med Chem 53: 2433-42 (2010)
Article DOI: 10.1021/jm901388c BindingDB Entry DOI: 10.7270/Q24J0G22 |
More data for this Ligand-Target Pair | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50304198
(CHEMBL593274 | N-(4-(benzo[d]thiazol-2-yl)-3-chlor...)Show SMILES COc1cc2c(Nc3ccc(-c4nc5ccccc5s4)c(Cl)c3)ncnc2cc1OCCCN1CCN(C)CC1 Show InChI InChI=1S/C30H31ClN6O2S/c1-36-11-13-37(14-12-36)10-5-15-39-27-18-25-22(17-26(27)38-2)29(33-19-32-25)34-20-8-9-21(23(31)16-20)30-35-24-6-3-4-7-28(24)40-30/h3-4,6-9,16-19H,5,10-15H2,1-2H3,(H,32,33,34) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
4SC AG
Curated by ChEMBL
| Assay Description Inhibition of wild type EGF-R by microplate scintillation counting |
Bioorg Med Chem 17: 6728-37 (2009)
Article DOI: 10.1016/j.bmc.2009.07.047 BindingDB Entry DOI: 10.7270/Q2FJ2GWC |
More data for this Ligand-Target Pair | |
Histone-lysine N-methyltransferase EHMT1
(Homo sapiens (Human)) | BDBM50512643
(CHEMBL4460703)Show SMILES COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1CCCN1CCCC1=O)N1CCCN(C)CC1 Show InChI InChI=1S/C28H43N7O2/c1-32-11-6-14-35(18-17-32)28-30-24-19-21(7-4-12-34-13-5-8-26(34)36)25(37-3)20-23(24)27(31-28)29-22-9-15-33(2)16-10-22/h19-20,22H,4-18H2,1-3H3,(H,29,30,31) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Mercachem BV
Curated by ChEMBL
| Assay Description Inhibition of N-terminal GST tagged human recombinant EHMT1 (794 to 1294 residues) expressed in baculovirus infected Sf9 insect cells assessed as red... |
Bioorg Med Chem Lett 29: 2516-2524 (2019)
Article DOI: 10.1016/j.bmcl.2019.06.012 BindingDB Entry DOI: 10.7270/Q2ZW1Q8X |
More data for this Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50308195
(2-(3-Hydroxy-4-methoxyanilino)-9-methoxy-5,7-dihyd...)Show SMILES COc1ccc-2c(NC(=O)Cc3cnc(Nc4ccc(OC)c(O)c4)nc-23)c1 Show InChI InChI=1S/C20H18N4O4/c1-27-13-4-5-14-15(9-13)23-18(26)7-11-10-21-20(24-19(11)14)22-12-3-6-17(28-2)16(25)8-12/h3-6,8-10,25H,7H2,1-2H3,(H,23,26)(H,21,22,24) | 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 | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universitat Braunschweig
Curated by ChEMBL
| Assay Description Inhibition of VEGFR2 assessed as [33Pi] incorporation by microplate scintillation counting in presence of 1 uM ATP |
J Med Chem 53: 2433-42 (2010)
Article DOI: 10.1021/jm901388c BindingDB Entry DOI: 10.7270/Q24J0G22 |
More data for this Ligand-Target Pair | |
Histone-lysine N-methyltransferase EHMT1
(Homo sapiens (Human)) | BDBM50512668
(CHEMBL4452780)Show SMILES COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1CCC1CCCCN1)N1CCCN(C)CC1 Show InChI InChI=1S/C28H45N7O/c1-33-13-6-14-35(18-17-33)28-31-25-19-21(8-9-22-7-4-5-12-29-22)26(36-3)20-24(25)27(32-28)30-23-10-15-34(2)16-11-23/h19-20,22-23,29H,4-18H2,1-3H3,(H,30,31,32) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Mercachem BV
Curated by ChEMBL
| Assay Description Inhibition of N-terminal GST tagged human recombinant EHMT1 (794 to 1294 residues) expressed in baculovirus infected Sf9 insect cells assessed as red... |
Bioorg Med Chem Lett 29: 2516-2524 (2019)
Article DOI: 10.1016/j.bmcl.2019.06.012 BindingDB Entry DOI: 10.7270/Q2ZW1Q8X |
More data for this Ligand-Target Pair | |
Histone-lysine N-methyltransferase EHMT1
(Homo sapiens (Human)) | BDBM50512635
(CHEMBL4435107)Show SMILES COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1C#CCN(C)C)C1CCCCC1 Show InChI InChI=1S/C28H41N5O/c1-20(2)33-16-13-23(14-17-33)29-28-24-19-26(34-5)22(12-9-15-32(3)4)18-25(24)30-27(31-28)21-10-7-6-8-11-21/h18-21,23H,6-8,10-11,13-17H2,1-5H3,(H,29,30,31) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Mercachem BV
Curated by ChEMBL
| Assay Description Inhibition of N-terminal GST tagged human recombinant EHMT1 (794 to 1294 residues) expressed in baculovirus infected Sf9 insect cells assessed as red... |
Bioorg Med Chem Lett 29: 2516-2524 (2019)
Article DOI: 10.1016/j.bmcl.2019.06.012 BindingDB Entry DOI: 10.7270/Q2ZW1Q8X |
More data for this Ligand-Target Pair | |
Histone-lysine N-methyltransferase EHMT1
(Homo sapiens (Human)) | BDBM50512660
(CHEMBL4560792)Show SMILES COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1CCCN(C)C)C1CCCCC1 Show InChI InChI=1S/C28H45N5O/c1-20(2)33-16-13-23(14-17-33)29-28-24-19-26(34-5)22(12-9-15-32(3)4)18-25(24)30-27(31-28)21-10-7-6-8-11-21/h18-21,23H,6-17H2,1-5H3,(H,29,30,31) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Mercachem BV
Curated by ChEMBL
| Assay Description Inhibition of N-terminal GST tagged human recombinant EHMT1 (794 to 1294 residues) expressed in baculovirus infected Sf9 insect cells assessed as red... |
Bioorg Med Chem Lett 29: 2516-2524 (2019)
Article DOI: 10.1016/j.bmcl.2019.06.012 BindingDB Entry DOI: 10.7270/Q2ZW1Q8X |
More data for this Ligand-Target Pair | |
Histone-lysine N-methyltransferase EHMT2
(Homo sapiens (Human)) | BDBM50512644
(CHEMBL4467219)Show SMILES COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1CCCN1CCCC1)N1CCCN(C)CC1 Show InChI InChI=1S/C28H45N7O/c1-32-11-7-15-35(19-18-32)28-30-25-20-22(8-6-14-34-12-4-5-13-34)26(36-3)21-24(25)27(31-28)29-23-9-16-33(2)17-10-23/h20-21,23H,4-19H2,1-3H3,(H,29,30,31) | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a | n/a |
Mercachem BV
Curated by ChEMBL
| Assay Description Inhibition of N-terminal GST tagged human recombinant EHMT2 (785 to 1210 residues) expressed in baculovirus infected Sf9 insect cells assessed as red... |
Bioorg Med Chem Lett 29: 2516-2524 (2019)
Article DOI: 10.1016/j.bmcl.2019.06.012 BindingDB Entry DOI: 10.7270/Q2ZW1Q8X |
More data for this Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM16673
(4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...)Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1 Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank PDB Article PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Technische Universit£t Braunschweig
Curated by ChEMBL
| Assay Description Inhibition of recombinant VEGFR2 using poly(Glu,Tyr)4 as substrate assessed as inhibition of [33P]Phosphate incorporation into substrate after 80 min... |
Eur J Med Chem 53: 254-63 (2012)
Article DOI: 10.1016/j.ejmech.2012.04.007 BindingDB Entry DOI: 10.7270/Q2W66MT7 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cyclin-dependent kinase 5
(Homo sapiens (Human)) | BDBM84530
(Alsterpaullone derivative, 4)Show SMILES NCCCc1ccc2NC(=O)Cc3c([nH]c4ccc(cc34)[N+]([O-])=O)-c2c1 Show InChI InChI=1S/C19H18N4O3/c20-7-1-2-11-3-5-17-15(8-11)19-14(10-18(24)21-17)13-9-12(23(25)26)4-6-16(13)22-19/h3-6,8-9,22H,1-2,7,10,20H2,(H,21,24) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | 7.5 | 30 |
Technische Universität Braunschweig
| Assay Description Kinase activity assay using GSK-3beta, CDK1/cyclin B and CDK5/p25. |
Chembiochem 6: 541-9 (2005)
Article DOI: 10.1002/cbic.200400099 BindingDB Entry DOI: 10.7270/Q2FX780X |
More data for this Ligand-Target Pair | |
Histone-lysine N-methyltransferase EHMT1
(Homo sapiens (Human)) | BDBM50300041
(7-(3-(dimethylamino)propoxy)-6-methoxy-2-(4-methyl...)Show SMILES COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1OCCCN(C)C)N1CCCN(C)CC1 Show InChI InChI=1S/C26H43N7O2/c1-30(2)10-7-17-35-24-19-22-21(18-23(24)34-5)25(27-20-8-13-32(4)14-9-20)29-26(28-22)33-12-6-11-31(3)15-16-33/h18-20H,6-17H2,1-5H3,(H,27,28,29) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Mercachem BV
Curated by ChEMBL
| Assay Description Inhibition of N-terminal GST tagged human recombinant EHMT1 (794 to 1294 residues) expressed in baculovirus infected Sf9 insect cells assessed as red... |
Bioorg Med Chem Lett 29: 2516-2524 (2019)
Article DOI: 10.1016/j.bmcl.2019.06.012 BindingDB Entry DOI: 10.7270/Q2ZW1Q8X |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50304200
(CHEMBL596292 | N-[4-(6''-Chlorobenzo[d]thiazol-2''...)Show SMILES COc1cc2c(Nc3ccc(cc3)-c3nc4cc(Cl)ccc4s3)ncnc2cc1OCCCN1CCN(C)CC1 Show InChI InChI=1S/C30H31ClN6O2S/c1-36-11-13-37(14-12-36)10-3-15-39-27-18-24-23(17-26(27)38-2)29(33-19-32-24)34-22-7-4-20(5-8-22)30-35-25-16-21(31)6-9-28(25)40-30/h4-9,16-19H,3,10-15H2,1-2H3,(H,32,33,34) | 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 | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
4SC AG
Curated by ChEMBL
| Assay Description Inhibition of Aurora-A by microplate scintillation counting |
Bioorg Med Chem 17: 6728-37 (2009)
Article DOI: 10.1016/j.bmc.2009.07.047 BindingDB Entry DOI: 10.7270/Q2FJ2GWC |
More data for this Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM4626
(Anilinoquinazoline deriv. 9 | CHEMBL301018 | N-(3-...)Show InChI InChI=1S/C16H13ClFN3O2/c1-22-14-6-10-13(7-15(14)23-2)19-8-20-16(10)21-9-3-4-12(18)11(17)5-9/h3-8H,1-2H3,(H,19,20,21) | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
4SC AG
Curated by ChEMBL
| Assay Description Inhibition of ErbB2 by virtual HTS assay |
Bioorg Med Chem Lett 19: 1349-56 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.054 BindingDB Entry DOI: 10.7270/Q2736QS3 |
More data for this Ligand-Target Pair | |
Cyclin-dependent kinase 1
(Homo sapiens (Human)) | BDBM84531
(Alsterpaullone derivative, 5)Show SMILES OC(=O)CCc1ccc2NC(=O)Cc3c([nH]c4ccc(cc34)[N+]([O-])=O)-c2c1 Show InChI InChI=1S/C19H15N3O5/c23-17-9-13-12-8-11(22(26)27)3-5-15(12)21-19(13)14-7-10(2-6-18(24)25)1-4-16(14)20-17/h1,3-5,7-8,21H,2,6,9H2,(H,20,23)(H,24,25) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | 7.5 | 30 |
Technische Universität Braunschweig
| Assay Description Kinase activity assay using GSK-3beta, CDK1/cyclin B and CDK5/p25. |
Chembiochem 6: 541-9 (2005)
Article DOI: 10.1002/cbic.200400099 BindingDB Entry DOI: 10.7270/Q2FX780X |
More data for this Ligand-Target Pair | |