Found 589 hits with Last Name = 'ehlert' and Initial = 'je' 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 |
|---|
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 | |
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 | |
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 | |
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)) | 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 | |
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)) | 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 | |
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 | |
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 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 | |
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)) | 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)) | 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 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 | |
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 | |
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)) | 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)) | 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 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)) | 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 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 | |
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 | |
Histone-lysine N-methyltransferase EHMT2
(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
UniProtKB/SwissProt
GoogleScholar
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| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 26 | 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) |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50304199
(CHEMBL604992 | N-[4-(6''-Methoxybenzo[d]thiazol-2'...)Show SMILES COc1cc2c(Nc3ccc(cc3)-c3nc4ccc(F)cc4s3)ncnc2cc1OCCCN1CCN(C)CC1 Show InChI InChI=1S/C30H31FN6O2S/c1-36-11-13-37(14-12-36)10-3-15-39-27-18-25-23(17-26(27)38-2)29(33-19-32-25)34-22-7-4-20(5-8-22)30-35-24-9-6-21(31)16-28(24)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 | 26 | 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 | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50304194
(CHEMBL594228 | N-[4-(Benzo[d]thiazol-2''-yl)-2-(tr...)Show SMILES COc1cc2c(Nc3ccc(cc3F)-c3nc4ccccc4s3)ncnc2cc1OCCCN1CCN(C)CC1 Show InChI InChI=1S/C30H31FN6O2S/c1-36-11-13-37(14-12-36)10-5-15-39-27-18-25-21(17-26(27)38-2)29(33-19-32-25)34-23-9-8-20(16-22(23)31)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 | 26 | 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 EHMT1
(Homo sapiens (Human)) | BDBM50512634
(CHEMBL4552592)Show SMILES COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1C#CCN1CCCC1=O)C1CCCCC1 Show InChI InChI=1S/C30H41N5O2/c1-21(2)34-17-13-24(14-18-34)31-30-25-20-27(37-3)23(11-7-15-35-16-8-12-28(35)36)19-26(25)32-29(33-30)22-9-5-4-6-10-22/h19-22,24H,4-6,8-10,12-18H2,1-3H3,(H,31,32,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 27 | 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 B
(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
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
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 |
4SC AG
Curated by ChEMBL
| Assay Description
Inhibition of Aurora-B 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 | |
Aurora kinase A
(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
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 | 27 | 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 | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50304194
(CHEMBL594228 | N-[4-(Benzo[d]thiazol-2''-yl)-2-(tr...)Show SMILES COc1cc2c(Nc3ccc(cc3F)-c3nc4ccccc4s3)ncnc2cc1OCCCN1CCN(C)CC1 Show InChI InChI=1S/C30H31FN6O2S/c1-36-11-13-37(14-12-36)10-5-15-39-27-18-25-21(17-26(27)38-2)29(33-19-32-25)34-23-9-8-20(16-22(23)31)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
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
4SC AG
Curated by ChEMBL
| Assay Description
Inhibition of Aurora-B 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)) | BDBM50308191
(2-(4-Hydroxyanilino)-9-methoxy-5,7-dihydro-6H-pyri...)Show SMILES COc1ccc-2c(NC(=O)Cc3cnc(Nc4ccc(O)cc4)nc-23)c1 Show InChI InChI=1S/C19H16N4O3/c1-26-14-6-7-15-16(9-14)22-17(25)8-11-10-20-19(23-18(11)15)21-12-2-4-13(24)5-3-12/h2-7,9-10,24H,8H2,1H3,(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 | 28 | 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 | |
Angiopoietin-1 receptor
(Homo sapiens (Human)) | BDBM50304194
(CHEMBL594228 | N-[4-(Benzo[d]thiazol-2''-yl)-2-(tr...)Show SMILES COc1cc2c(Nc3ccc(cc3F)-c3nc4ccccc4s3)ncnc2cc1OCCCN1CCN(C)CC1 Show InChI InChI=1S/C30H31FN6O2S/c1-36-11-13-37(14-12-36)10-5-15-39-27-18-25-21(17-26(27)38-2)29(33-19-32-25)34-23-9-8-20(16-22(23)31)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 | 29 | 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 EHMT2
(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
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 30 | 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 | |
Histone-lysine N-methyltransferase EHMT2
(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
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 32 | 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)) | BDBM50304211
(CHEMBL596087 | N-[4-(Benzo[d]thiazol-2''-yl)-2-flu...)Show SMILES COc1cc2c(Nc3ccc(-c4nc5ccccc5s4)c(C)c3)ncnc2cc1OCCCN1CCN(C)CC1 Show InChI InChI=1S/C31H34N6O2S/c1-21-17-22(9-10-23(21)31-35-25-7-4-5-8-29(25)40-31)34-30-24-18-27(38-3)28(19-26(24)32-20-33-30)39-16-6-11-37-14-12-36(2)13-15-37/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 | 32 | 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 | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50304211
(CHEMBL596087 | N-[4-(Benzo[d]thiazol-2''-yl)-2-flu...)Show SMILES COc1cc2c(Nc3ccc(-c4nc5ccccc5s4)c(C)c3)ncnc2cc1OCCCN1CCN(C)CC1 Show InChI InChI=1S/C31H34N6O2S/c1-21-17-22(9-10-23(21)31-35-25-7-4-5-8-29(25)40-31)34-30-24-18-27(38-3)28(19-26(24)32-20-33-30)39-16-6-11-37-14-12-36(2)13-15-37/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 | 32 | 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 | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50379214
(CHEMBL2011291 | US9416123, 6)Show SMILES Nc1c(c(nn1-c1c(Cl)cc(Cl)cc1Cl)-c1ccncc1)-c1ccc(F)cc1 |(-1,-2.52,;-1.47,-1.05,;-2.94,-.58,;-2.94,.96,;-1.47,1.44,;-.56,.19,;.98,.19,;1.74,1.52,;.97,2.85,;3.28,1.52,;4.06,.18,;5.6,.18,;3.29,-1.15,;1.75,-1.15,;.97,-2.48,;-4.18,1.87,;-4.2,3.41,;-5.54,4.16,;-6.87,3.37,;-6.84,1.82,;-5.5,1.08,;-4.18,-1.48,;-5.52,-.72,;-6.85,-1.5,;-6.84,-3.04,;-8.17,-3.82,;-5.49,-3.8,;-4.17,-3.02,)| Show InChI InChI=1S/C20H12Cl3FN4/c21-13-9-15(22)19(16(23)10-13)28-20(25)17(11-1-3-14(24)4-2-11)18(27-28)12-5-7-26-8-6-12/h1-10H,25H2 | 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 | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
Islamic University of Gaza
Curated by ChEMBL
| Assay Description
Inhibition of VEGFR2 using poly(Glu,Tyr) as substrate assessed as [33P-gamma]-ATP incorporation after 60 mins by microplate scintillation counting |
J Med Chem 55: 961-5 (2012)
Article DOI: 10.1021/jm201391u
BindingDB Entry DOI: 10.7270/Q2FT8N18 |
More data for this
Ligand-Target Pair | |
Histone-lysine N-methyltransferase EHMT1
(Homo sapiens (Human)) | BDBM50512640
(CHEMBL4555461)Show SMILES CCc1cc2nc(nc(NC3CCN(C)CC3)c2cc1OC)N1CCCN(C)CC1 Show InChI InChI=1S/C23H36N6O/c1-5-17-15-20-19(16-21(17)30-4)22(24-18-7-11-28(3)12-8-18)26-23(25-20)29-10-6-9-27(2)13-14-29/h15-16,18H,5-14H2,1-4H3,(H,24,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 35 | 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)) | BDBM50308189
(2-(3-Chloro-4-hydroxyanilino)-5,7-dihydro-6H-pyrim...)Show InChI InChI=1S/C18H13ClN4O2/c19-13-8-11(5-6-15(13)24)21-18-20-9-10-7-16(25)22-14-4-2-1-3-12(14)17(10)23-18/h1-6,8-9,24H,7H2,(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 | 35 | 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 | |
Angiopoietin-1 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 | 37 | 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 | |
Angiopoietin-1 receptor
(Homo sapiens (Human)) | BDBM50304208
(CHEMBL595406 | N-(4-(benzo[d]thiazol-2-yl)-2-methy...)Show SMILES COc1cc2c(Nc3ccc(cc3C)-c3nc4ccccc4s3)ncnc2cc1OCCCN1CCN(C)CC1 Show InChI InChI=1S/C31H34N6O2S/c1-21-17-22(31-35-25-7-4-5-8-29(25)40-31)9-10-24(21)34-30-23-18-27(38-3)28(19-26(23)32-20-33-30)39-16-6-11-37-14-12-36(2)13-15-37/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 | 38 | 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 | |
Receptor tyrosine-protein kinase erbB-2
(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
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 38 | 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 | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50304199
(CHEMBL604992 | N-[4-(6''-Methoxybenzo[d]thiazol-2'...)Show SMILES COc1cc2c(Nc3ccc(cc3)-c3nc4ccc(F)cc4s3)ncnc2cc1OCCCN1CCN(C)CC1 Show InChI InChI=1S/C30H31FN6O2S/c1-36-11-13-37(14-12-36)10-3-15-39-27-18-25-23(17-26(27)38-2)29(33-19-32-25)34-22-7-4-20(5-8-22)30-35-24-9-6-21(31)16-28(24)40-30/h4-9,16-19H,3,10-15H2,1-2H3,(H,32,33,34) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
4SC AG
Curated by ChEMBL
| Assay Description
Inhibition of Aurora-B 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)) | BDBM50512661
(CHEMBL4438513)Show SMILES CCN1CCC(CC1)c1cc2nc(nc(NC3CCN(C)CC3)c2cc1OC)N1CCCN(C)CC1 Show InChI InChI=1S/C28H45N7O/c1-5-34-15-7-21(8-16-34)23-19-25-24(20-26(23)36-4)27(29-22-9-13-33(3)14-10-22)31-28(30-25)35-12-6-11-32(2)17-18-35/h19-22H,5-18H2,1-4H3,(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 | 41 | 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 | |
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