BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 31 hits from Comenius University in Bratislava   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50234807
PNG
(CHEMBL1738733)
Show SMILES O=C1N=C(Nc2ccccc2)N=C1Cc1ccc2OCOc2c1
Show InChI InChI=1S/C17H13N3O3/c21-16-13(8-11-6-7-14-15(9-11)23-10-22-14)19-17(20-16)18-12-4-2-1-3-5-12/h1-7,9H,8,10H2,(H,18,20,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/a 7.60n/an/an/an/an/an/a



Comenius University in Bratislava

Curated by ChEMBL


Assay Description
Inhibition of DYRK1A (unknown origin)


Eur J Med Chem 126: 754-761 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.003
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dual specificty protein kinase CLK1


(Homo sapiens (Human))
BDBM6878
PNG
(1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3n ...)
Show SMILES Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=S)Nc1c(F)cccc1F
Show InChI InChI=1S/C15H13F2N7O2S2/c16-10-2-1-3-11(17)12(10)21-15(27)24-13(18)22-14(23-24)20-8-4-6-9(7-5-8)28(19,25)26/h1-7H,(H,21,27)(H2,19,25,26)(H3,18,20,22,23)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 8.90n/an/an/an/an/an/a



Comenius University in Bratislava

Curated by ChEMBL


Assay Description
Inhibition of human CLK1 (148 to 484 residues) expressed in Escherichia coli BL21(DE3) preincubated for 10 mins followed by AFRREWSPGKEAKK substrate ...


Eur J Med Chem 126: 754-761 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.003
More data for this
Ligand-Target Pair
Dual specificty protein kinase CLK1


(Homo sapiens (Human))
BDBM50234808
PNG
(CHEMBL4090007)
Show SMILES CCOC(=O)c1c(\C(=C\N)C#N)c2ccc(Cl)c(Cl)c2n1C
Show InChI InChI=1S/C15H13Cl2N3O2/c1-3-22-15(21)14-11(8(6-18)7-19)9-4-5-10(16)12(17)13(9)20(14)2/h4-6H,3,18H2,1-2H3/b8-6+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 20n/an/an/an/an/an/a



Comenius University in Bratislava

Curated by ChEMBL


Assay Description
Inhibition of human CLK1 (148 to 484 residues) expressed in Escherichia coli BL21(DE3) preincubated for 10 mins followed by AFRREWSPGKEAKK substrate ...


Eur J Med Chem 126: 754-761 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.003
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1/CLK4


(Homo sapiens (Human))
BDBM50234809
PNG
(CHEMBL4103030)
Show SMILES CCS(=O)(=O)c1ccc(OC)c(Nc2ncc(o2)-c2ccc3cc(OC)ccc3c2)c1
Show InChI InChI=1S/C23H22N2O5S/c1-4-31(26,27)19-9-10-21(29-3)20(13-19)25-23-24-14-22(30-23)17-6-5-16-12-18(28-2)8-7-15(16)11-17/h5-14H,4H2,1-3H3,(H,24,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 20n/an/an/an/an/an/a



Comenius University in Bratislava

Curated by ChEMBL


Assay Description
Inhibition of human CLK1 using substrate after 30 mins in presence of [gamma-33P]ATP by liquid scintillation counting


Eur J Med Chem 126: 754-761 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.003
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM5875
PNG
(2-Anilino-5-aryloxazole 39 | N-[5-(Ethylsulfonyl)-...)
Show SMILES CCS(=O)(=O)c1ccc(OC)c(Nc2ncc(o2)-c2cccc(c2)-c2ccccn2)c1
Show InChI InChI=1S/C23H21N3O4S/c1-3-31(27,28)18-10-11-21(29-2)20(14-18)26-23-25-15-22(30-23)17-8-6-7-16(13-17)19-9-4-5-12-24-19/h4-15H,3H2,1-2H3,(H,25,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

MMDB
PDB
Article
PubMed
n/an/a 22n/an/an/an/an/an/a



Comenius University in Bratislava

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin) using substrate after 30 mins in presence of [gamma-33P]ATP by liquid scintillation counting


Eur J Med Chem 126: 754-761 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.003
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50234811
PNG
(CHEMBL4086603)
Show SMILES CCS(=O)(=O)c1ccc(OC)c(Nc2ncc(o2)-c2ccc(CC#N)c(c2)-c2ccccn2)c1
Show InChI InChI=1S/C25H22N4O4S/c1-3-34(30,31)19-9-10-23(32-2)22(15-19)29-25-28-16-24(33-25)18-8-7-17(11-12-26)20(14-18)21-6-4-5-13-27-21/h4-10,13-16H,3,11H2,1-2H3,(H,28,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 23n/an/an/an/an/an/a



Comenius University in Bratislava

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin) using substrate after 30 mins in presence of [gamma-33P]ATP by liquid scintillation counting


Eur J Med Chem 126: 754-761 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.003
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK3


(Homo sapiens (Human))
BDBM6878
PNG
(1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3n ...)
Show SMILES Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=S)Nc1c(F)cccc1F
Show InChI InChI=1S/C15H13F2N7O2S2/c16-10-2-1-3-11(17)12(10)21-15(27)24-13(18)22-14(23-24)20-8-4-6-9(7-5-8)28(19,25)26/h1-7H,(H,21,27)(H2,19,25,26)(H3,18,20,22,23)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/a 29n/an/an/an/an/an/a



Comenius University in Bratislava

Curated by ChEMBL


Assay Description
Inhibition of human CLK3 (275 to 632 residues) expressed in Escherichia coli BL21(DE3) preincubated for 10 mins followed by substrate addition by pyr...


Eur J Med Chem 126: 754-761 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.003
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dual specificity protein kinase CLK1/CLK4


(Homo sapiens (Human))
BDBM50234812
PNG
(CHEMBL4078755)
Show SMILES CCS(=O)(=O)c1ccc(OC)c(Nc2ncc(o2)-c2cc3ccccc3s2)c1
Show InChI InChI=1S/C20H18N2O4S2/c1-3-28(23,24)14-8-9-16(25-2)15(11-14)22-20-21-12-17(26-20)19-10-13-6-4-5-7-18(13)27-19/h4-12H,3H2,1-2H3,(H,21,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 30n/an/an/an/an/an/a



Comenius University in Bratislava

Curated by ChEMBL


Assay Description
Inhibition of human CLK1 using substrate after 30 mins in presence of [gamma-33P]ATP by liquid scintillation counting


Eur J Med Chem 126: 754-761 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.003
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-regulated kinases 1B


(Homo sapiens (Human))
BDBM50234807
PNG
(CHEMBL1738733)
Show SMILES O=C1N=C(Nc2ccccc2)N=C1Cc1ccc2OCOc2c1
Show InChI InChI=1S/C17H13N3O3/c21-16-13(8-11-6-7-14-15(9-11)23-10-22-14)19-17(20-16)18-12-4-2-1-3-5-12/h1-7,9H,8,10H2,(H,18,20,21)
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 37n/an/an/an/an/an/a



Comenius University in Bratislava

Curated by ChEMBL


Assay Description
Inhibition of DYRK1B (unknown origin)


Eur J Med Chem 126: 754-761 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.003
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1/CLK4


(Homo sapiens (Human))
BDBM50234810
PNG
(CHEMBL4065167)
Show SMILES CCS(=O)(=O)c1ccc(OC)c(Nc2ncc(\C=C\c3ccccc3)o2)c1
Show InChI InChI=1S/C20H20N2O4S/c1-3-27(23,24)17-11-12-19(25-2)18(13-17)22-20-21-14-16(26-20)10-9-15-7-5-4-6-8-15/h4-14H,3H2,1-2H3,(H,21,22)/b10-9+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 40n/an/an/an/an/an/a



Comenius University in Bratislava

Curated by ChEMBL


Assay Description
Inhibition of human CLK1 using substrate after 30 mins in presence of [gamma-33P]ATP by liquid scintillation counting


Eur J Med Chem 126: 754-761 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.003
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50234808
PNG
(CHEMBL4090007)
Show SMILES CCOC(=O)c1c(\C(=C\N)C#N)c2ccc(Cl)c(Cl)c2n1C
Show InChI InChI=1S/C15H13Cl2N3O2/c1-3-22-15(21)14-11(8(6-18)7-19)9-4-5-10(16)12(17)13(9)20(14)2/h4-6H,3,18H2,1-2H3/b8-6+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 55n/an/an/an/an/an/a



Comenius University in Bratislava

Curated by ChEMBL


Assay Description
Inhibition of human DYRK1A preincubated for 10 mins followed by YRASPSRPESPRPPA-amide substrate addition by pyruvate kinase and lactate dehydrogenase...


Eur J Med Chem 126: 754-761 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.003
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1/CLK4


(Homo sapiens (Human))
BDBM50234811
PNG
(CHEMBL4086603)
Show SMILES CCS(=O)(=O)c1ccc(OC)c(Nc2ncc(o2)-c2ccc(CC#N)c(c2)-c2ccccn2)c1
Show InChI InChI=1S/C25H22N4O4S/c1-3-34(30,31)19-9-10-23(32-2)22(15-19)29-25-28-16-24(33-25)18-8-7-17(11-12-26)20(14-18)21-6-4-5-13-27-21/h4-10,13-16H,3,11H2,1-2H3,(H,28,29)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 80n/an/an/an/an/an/a



Comenius University in Bratislava

Curated by ChEMBL


Assay Description
Inhibition of human CLK1 using substrate after 30 mins in presence of [gamma-33P]ATP by liquid scintillation counting


Eur J Med Chem 126: 754-761 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.003
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk2


(Homo sapiens (Human))
BDBM50363645
PNG
(DEBROMOHYMENIALDISINE)
Show SMILES NC1=NC(C(=O)N1)=C1CCNC(=O)c2[nH]ccc12
Show InChI InChI=1S/C11H11N5O2/c12-11-15-8(10(18)16-11)6-2-4-14-9(17)7-5(6)1-3-13-7/h1,3,13H,2,4H2,(H,14,17)(H3,12,15,16,18)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/a 183n/an/an/an/an/an/a



Comenius University in Bratislava

Curated by ChEMBL


Assay Description
Inhibition of CHK2 (unknown origin) using polypeptide substrate after 40 mins in presence of [gamma-33P]ATP by scintillation counting method


Eur J Med Chem 126: 754-761 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.003
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))
BDBM50234810
PNG
(CHEMBL4065167)
Show SMILES CCS(=O)(=O)c1ccc(OC)c(Nc2ncc(\C=C\c3ccccc3)o2)c1
Show InChI InChI=1S/C20H20N2O4S/c1-3-27(23,24)17-11-12-19(25-2)18(13-17)22-20-21-14-16(26-20)10-9-15-7-5-4-6-8-15/h4-14H,3H2,1-2H3,(H,21,22)/b10-9+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 200n/an/an/an/an/an/a



Comenius University in Bratislava

Curated by ChEMBL


Assay Description
Inhibition of CDK9/CyclinT (unknown origin) using substrate after 30 mins in presence of [gamma-33P]ATP by liquid scintillation counting


Eur J Med Chem 126: 754-761 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.003
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM6878
PNG
(1-Acyl-1H-[1,2,4]triazole-3,5-diamine Analogue 3n ...)
Show SMILES Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nn1C(=S)Nc1c(F)cccc1F
Show InChI InChI=1S/C15H13F2N7O2S2/c16-10-2-1-3-11(17)12(10)21-15(27)24-13(18)22-14(23-24)20-8-4-6-9(7-5-8)28(19,25)26/h1-7H,(H,21,27)(H2,19,25,26)(H3,18,20,22,23)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 210n/an/an/an/an/an/a



Comenius University in Bratislava

Curated by ChEMBL


Assay Description
Inhibition of human GSK3beta using Biotin-labeled GSP-2 peptide substrate after 90 mins in presence of [gamma33-P]ATP by scintillation proximity assa...


Eur J Med Chem 126: 754-761 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.003
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50234812
PNG
(CHEMBL4078755)
Show SMILES CCS(=O)(=O)c1ccc(OC)c(Nc2ncc(o2)-c2cc3ccccc3s2)c1
Show InChI InChI=1S/C20H18N2O4S2/c1-3-28(23,24)14-8-9-16(25-2)15(11-14)22-20-21-12-17(26-20)19-10-13-6-4-5-7-18(13)27-19/h4-12H,3H2,1-2H3,(H,21,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 500n/an/an/an/an/an/a



Comenius University in Bratislava

Curated by ChEMBL


Assay Description
Inhibition of DYRK1A (unknown origin) using substrate after 30 mins in presence of [gamma-33P]ATP by liquid scintillation counting


Eur J Med Chem 126: 754-761 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.003
More data for this
Ligand-Target Pair
CDC2-like kinase 3 (CLK3)


(Homo sapiens (Human))
BDBM50234808
PNG
(CHEMBL4090007)
Show SMILES CCOC(=O)c1c(\C(=C\N)C#N)c2ccc(Cl)c(Cl)c2n1C
Show InChI InChI=1S/C15H13Cl2N3O2/c1-3-22-15(21)14-11(8(6-18)7-19)9-4-5-10(16)12(17)13(9)20(14)2/h4-6H,3,18H2,1-2H3/b8-6+
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 530n/an/an/an/an/an/a



Comenius University in Bratislava

Curated by ChEMBL


Assay Description
Inhibition of human CLK3 (275 to 632 residues) expressed in Escherichia coli BL21(DE3) preincubated for 10 mins followed by substrate addition by pyr...


Eur J Med Chem 126: 754-761 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.003
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50363645
PNG
(DEBROMOHYMENIALDISINE)
Show SMILES NC1=NC(C(=O)N1)=C1CCNC(=O)c2[nH]ccc12
Show InChI InChI=1S/C11H11N5O2/c12-11-15-8(10(18)16-11)6-2-4-14-9(17)7-5(6)1-3-13-7/h1,3,13H,2,4H2,(H,14,17)(H3,12,15,16,18)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

PC cid
PC sid
PDB
UniChem

Patents


Similars

PDB
Article
PubMed
n/an/a 725n/an/an/an/an/an/a



Comenius University in Bratislava

Curated by ChEMBL


Assay Description
Inhibition of CHK1 (unknown origin) using polypeptide substrate after 40 mins in presence of [gamma-33P]ATP by scintillation counting method


Eur J Med Chem 126: 754-761 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.003
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50234809
PNG
(CHEMBL4103030)
Show SMILES CCS(=O)(=O)c1ccc(OC)c(Nc2ncc(o2)-c2ccc3cc(OC)ccc3c2)c1
Show InChI InChI=1S/C23H22N2O5S/c1-4-31(26,27)19-9-10-21(29-3)20(13-19)25-23-24-14-22(30-23)17-6-5-16-12-18(28-2)8-7-15(16)11-17/h5-14H,4H2,1-3H3,(H,24,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



Comenius University in Bratislava

Curated by ChEMBL


Assay Description
Inhibition of DYRK1A (unknown origin) using substrate after 30 mins in presence of [gamma-33P]ATP by liquid scintillation counting


Eur J Med Chem 126: 754-761 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.003
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50234810
PNG
(CHEMBL4065167)
Show SMILES CCS(=O)(=O)c1ccc(OC)c(Nc2ncc(\C=C\c3ccccc3)o2)c1
Show InChI InChI=1S/C20H20N2O4S/c1-3-27(23,24)17-11-12-19(25-2)18(13-17)22-20-21-14-16(26-20)10-9-15-7-5-4-6-8-15/h4-14H,3H2,1-2H3,(H,21,22)/b10-9+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 7.00E+3n/an/an/an/an/an/a



Comenius University in Bratislava

Curated by ChEMBL


Assay Description
Inhibition of DYRK1A (unknown origin) using substrate after 30 mins in presence of [gamma-33P]ATP by liquid scintillation counting


Eur J Med Chem 126: 754-761 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.003
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM50234810
PNG
(CHEMBL4065167)
Show SMILES CCS(=O)(=O)c1ccc(OC)c(Nc2ncc(\C=C\c3ccccc3)o2)c1
Show InChI InChI=1S/C20H20N2O4S/c1-3-27(23,24)17-11-12-19(25-2)18(13-17)22-20-21-14-16(26-20)10-9-15-7-5-4-6-8-15/h4-14H,3H2,1-2H3,(H,21,22)/b10-9+
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 7.50E+3n/an/an/an/an/an/a



Comenius University in Bratislava

Curated by ChEMBL


Assay Description
Inhibition of GSK3 alpha/beta (unknown origin) using substrate after 30 mins in presence of [gamma-33P]ATP by liquid scintillation counting


Eur J Med Chem 126: 754-761 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.003
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK2


(Homo sapiens (Human))
BDBM4814
PNG
(CHEMBL535 | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fl...)
Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/an/a 20n/an/an/an/an/a



Comenius University in Bratislava

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human CLK2 (D144 to R498 residues) expressed in bacterial expression system by KinomeScan assay


Eur J Med Chem 126: 754-761 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.003
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1/CLK4


(Homo sapiens (Human))
BDBM50237710
PNG
(4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifl...)
Show SMILES Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C28H22F3N7O/c1-17-5-6-19(10-25(17)37-27-33-9-7-24(36-27)20-4-3-8-32-14-20)26(39)35-22-11-21(28(29,30)31)12-23(13-22)38-15-18(2)34-16-38/h3-16H,1-2H3,(H,35,39)(H,33,36,37)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/an/a 2.10E+3n/an/an/an/an/a



Comenius University in Bratislava

Curated by ChEMBL


Assay Description
Binding affinity to full length recombinant human CLK1 (M1 to I484 residues) expressed in bacterial expression system by KinomeScan assay


Eur J Med Chem 126: 754-761 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.003
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK3


(Homo sapiens (Human))
BDBM4552
PNG
(4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-...)
Show SMILES COc1cc(Nc2c(cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C26H29Cl2N5O3/c1-32-6-8-33(9-7-32)5-4-10-36-25-13-21-18(11-24(25)35-3)26(17(15-29)16-30-21)31-22-14-23(34-2)20(28)12-19(22)27/h11-14,16H,4-10H2,1-3H3,(H,30,31)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/an/a 300n/an/an/an/an/a



Comenius University in Bratislava

Curated by ChEMBL


Assay Description
Binding affinity to full length recombinant human CLK3 (M1 to R490 residues) expressed in bacterial expression system by KinomeScan assay


Eur J Med Chem 126: 754-761 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.003
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK4


(Homo sapiens (Human))
BDBM4814
PNG
(CHEMBL535 | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fl...)
Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/an/a 29n/an/an/an/an/a



Comenius University in Bratislava

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human CLK4 (R135 to K481 residues) expressed in bacterial expression system by KinomeScan assay


Eur J Med Chem 126: 754-761 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.003
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK2


(Homo sapiens (Human))
BDBM50355501
PNG
(INCB-018424 | RUXOLITINIB | RUXOLITINIB PHOSPHATE ...)
Show SMILES N#CC[C@H](C1CCCC1)n1cc(cn1)-c1ncnc2[nH]ccc12
Show InChI InChI=1S/C17H18N6/c18-7-5-15(12-3-1-2-4-12)23-10-13(9-22-23)16-14-6-8-19-17(14)21-11-20-16/h6,8-12,15H,1-5H2,(H,19,20,21)/t15-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

DrugBank
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/an/a 460n/an/an/an/an/a



Comenius University in Bratislava

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human CLK2 (D144 to R498 residues) expressed in bacterial expression system by KinomeScan assay


Eur J Med Chem 126: 754-761 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.003
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK2


(Homo sapiens (Human))
BDBM4552
PNG
(4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-...)
Show SMILES COc1cc(Nc2c(cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C26H29Cl2N5O3/c1-32-6-8-33(9-7-32)5-4-10-36-25-13-21-18(11-24(25)35-3)26(17(15-29)16-30-21)31-22-14-23(34-2)20(28)12-19(22)27/h11-14,16H,4-10H2,1-3H3,(H,30,31)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/an/a 1.70E+3n/an/an/an/an/a



Comenius University in Bratislava

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human CLK2 (D144 to R498 residues) expressed in bacterial expression system by KinomeScan assay


Eur J Med Chem 126: 754-761 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.003
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK4


(Homo sapiens (Human))
BDBM13530
PNG
(4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[...)
Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
Show InChI InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/an/a 2.10E+3n/an/an/an/an/a



Comenius University in Bratislava

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human CLK4 (R135 to K481 residues) expressed in bacterial expression system by KinomeScan assay


Eur J Med Chem 126: 754-761 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.003
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK4


(Homo sapiens (Human))
BDBM50355501
PNG
(INCB-018424 | RUXOLITINIB | RUXOLITINIB PHOSPHATE ...)
Show SMILES N#CC[C@H](C1CCCC1)n1cc(cn1)-c1ncnc2[nH]ccc12
Show InChI InChI=1S/C17H18N6/c18-7-5-15(12-3-1-2-4-12)23-10-13(9-22-23)16-14-6-8-19-17(14)21-11-20-16/h6,8-12,15H,1-5H2,(H,19,20,21)/t15-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

DrugBank
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/an/a 1.70E+3n/an/an/an/an/a



Comenius University in Bratislava

Curated by ChEMBL


Assay Description
Binding affinity to recombinant human CLK4 (R135 to K481 residues) expressed in bacterial expression system by KinomeScan assay


Eur J Med Chem 126: 754-761 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.003
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1/CLK4


(Homo sapiens (Human))
BDBM4552
PNG
(4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-...)
Show SMILES COc1cc(Nc2c(cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C26H29Cl2N5O3/c1-32-6-8-33(9-7-32)5-4-10-36-25-13-21-18(11-24(25)35-3)26(17(15-29)16-30-21)31-22-14-23(34-2)20(28)12-19(22)27/h11-14,16H,4-10H2,1-3H3,(H,30,31)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/an/a 600n/an/an/an/an/a



Comenius University in Bratislava

Curated by ChEMBL


Assay Description
Binding affinity to full length recombinant human CLK1 (M1 to I484 residues) expressed in bacterial expression system by KinomeScan assay


Eur J Med Chem 126: 754-761 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.003
More data for this
Ligand-Target Pair
Dual specificity protein kinase CLK1/CLK4


(Homo sapiens (Human))
BDBM4814
PNG
(CHEMBL535 | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fl...)
Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/an/a 22n/an/an/an/an/a



Comenius University in Bratislava

Curated by ChEMBL


Assay Description
Binding affinity to full length recombinant human CLK1 (M1 to I484 residues) expressed in bacterial expression system by KinomeScan assay


Eur J Med Chem 126: 754-761 (2017)


Article DOI: 10.1016/j.ejmech.2016.11.003
More data for this
Ligand-Target Pair