Found 1396 hits with Last Name = 'kubbutat' and Initial = 'mh' 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)) | 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 | |
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 | |
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) |
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 | |
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 | |
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 | |
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 | |
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 | |
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 | |
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 | |
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 | |
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 | |
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
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B.MOAD
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CHEMBL
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MCE
MMDB
PC cid
PC sid
PDB
UniChem
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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
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| 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 | |
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
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DrugBank
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CHEMBL
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UniChem
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| 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 | |
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
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| 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 | |
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
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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 | |
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 | |
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
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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 | |
Cyclin-dependent kinase 1
(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
Reactome pathway
KEGG
UniProtKB/SwissProt
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| KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 27 | 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 | |
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)) | 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
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| CHEMBL
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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 | |
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
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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 | |
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
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| 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 | |
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 | |
Cyclin-dependent kinase 5
(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 | 30 | 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 | |
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 | |
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 | |
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
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| 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 | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM84532
(Alsterpaullone derivative, 6)Show SMILES COC(=O)CCc1ccc2NC(=O)Cc3c([nH]c4ccc(cc34)[N+]([O-])=O)-c2c1 Show InChI InChI=1S/C20H17N3O5/c1-28-19(25)7-3-11-2-5-17-15(8-11)20-14(10-18(24)21-17)13-9-12(23(26)27)4-6-16(13)22-20/h2,4-6,8-9,22H,3,7,10H2,1H3,(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 | 34 | 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 | |
Cyclin-dependent kinase 1
(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
Reactome pathway
KEGG
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CHEMBL
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MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
Article
PubMed
| n/a | n/a | 35 | 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 | |
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 | |
Cyclin-dependent kinase 5
(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
| DrugBank
Article
PubMed
| n/a | n/a | 40 | 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 | |
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 | |
Epidermal growth factor receptor
(Homo sapiens (Human)) | BDBM50304222
(CHEMBL604893 | N-[4-(Benzo[d]thiazol-2''-yl)-3-chl...)Show SMILES COc1cc2ncnc(Nc3ccc(-c4nc5ccccc5s4)c(Cl)c3)c2cc1OCCCN1CCN(C)CC1 Show InChI InChI=1S/C30H31ClN6O2S/c1-36-11-13-37(14-12-36)10-5-15-39-27-17-22-25(18-26(27)38-2)32-19-33-29(22)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 | 44 | 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 | |
Angiopoietin-1 receptor
(Homo sapiens (Human)) | BDBM50304203
(2-(4-(6-methoxy-7-(3-(4-methylpiperazin-1-yl)propo...)Show SMILES COc1cc2c(Oc3ccc(cc3)-c3nc4ccccc4s3)ncnc2cc1OCCCN1CCN(C)CC1 Show InChI InChI=1S/C30H31N5O3S/c1-34-13-15-35(16-14-34)12-5-17-37-27-19-25-23(18-26(27)36-2)29(32-20-31-25)38-22-10-8-21(9-11-22)30-33-24-6-3-4-7-28(24)39-30/h3-4,6-11,18-20H,5,12-17H2,1-2H3 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 44 | 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 | |
Vascular endothelial growth factor receptor 2
(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 | 44 | 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 | |
Epidermal growth factor receptor
(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
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 46 | 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)) | 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
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 47 | 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)) | BDBM50304212
(CHEMBL593306 | N-[4-(Benzo[d]thiazol-2''-yl)-3-chl...)Show SMILES COc1ccc2nc(sc2c1)-c1ccc(Nc2ncnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)cc1 Show InChI InChI=1S/C31H34N6O3S/c1-36-12-14-37(15-13-36)11-4-16-40-28-19-26-24(18-27(28)39-3)30(33-20-32-26)34-22-7-5-21(6-8-22)31-35-25-10-9-23(38-2)17-29(25)41-31/h5-10,17-20H,4,11-16H2,1-3H3,(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 | 48 | 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)) | BDBM50308192
(2-(4-Methoxyanilino)-9-methoxy-5,7-dihydro-6H-pyri...)Show SMILES COc1ccc(Nc2ncc3CC(=O)Nc4cc(OC)ccc4-c3n2)cc1 Show InChI InChI=1S/C20H18N4O3/c1-26-14-5-3-13(4-6-14)22-20-21-11-12-9-18(25)23-17-10-15(27-2)7-8-16(17)19(12)24-20/h3-8,10-11H,9H2,1-2H3,(H,23,25)(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 | 50 | 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 | |
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