Found 31 hits Enz. Inhib. hit(s) with all data for entry = 50049121 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 |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human)) | BDBM50234807
(CHEMBL1738733)Show SMILES O=C1N=C(Nc2ccccc2)N=C1Cc1ccc2OCOc2c1 |c:12,t:2| 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 antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 7.60 | n/a | n/a | n/a | n/a | n/a | n/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 BindingDB Entry DOI: 10.7270/Q2S75JJV |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Dual specificity protein kinase CLK1
(Homo sapiens (Human)) | BDBM6878
(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 antibodypedia GoogleScholar AffyNet
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DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 8.90 | n/a | n/a | n/a | n/a | n/a | n/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 BindingDB Entry DOI: 10.7270/Q2S75JJV |
More data for this Ligand-Target Pair | |
Dual specificity protein kinase CLK1
(Homo sapiens (Human)) | BDBM50234808
(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 antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/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 BindingDB Entry DOI: 10.7270/Q2S75JJV |
More data for this Ligand-Target Pair | |
Dual specificity protein kinase CLK1
(Homo sapiens (Human)) | BDBM50234809
(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 antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/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 BindingDB Entry DOI: 10.7270/Q2S75JJV |
More data for this Ligand-Target Pair | |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM5875
(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 antibodypedia GoogleScholar AffyNet
| DrugBank MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/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 BindingDB Entry DOI: 10.7270/Q2S75JJV |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Vascular endothelial growth factor receptor 2
(Homo sapiens (Human)) | BDBM50234811
(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 antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/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 BindingDB Entry DOI: 10.7270/Q2S75JJV |
More data for this Ligand-Target Pair | |
Dual specificity protein kinase CLK3
(Homo sapiens (Human)) | BDBM6878
(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 antibodypedia GoogleScholar AffyNet
| Purchase
DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/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 BindingDB Entry DOI: 10.7270/Q2S75JJV |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Dual specificity protein kinase CLK1
(Homo sapiens (Human)) | BDBM50234812
(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 antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/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 BindingDB Entry DOI: 10.7270/Q2S75JJV |
More data for this Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1B
(Homo sapiens (Human)) | BDBM50234807
(CHEMBL1738733)Show SMILES O=C1N=C(Nc2ccccc2)N=C1Cc1ccc2OCOc2c1 |c:12,t:2| 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
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/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 BindingDB Entry DOI: 10.7270/Q2S75JJV |
More data for this Ligand-Target Pair | |
Dual specificity protein kinase CLK1
(Homo sapiens (Human)) | BDBM50234810
(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 antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/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 BindingDB Entry DOI: 10.7270/Q2S75JJV |
More data for this Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human)) | BDBM50234808
(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 antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 55 | n/a | n/a | n/a | n/a | n/a | n/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 BindingDB Entry DOI: 10.7270/Q2S75JJV |
More data for this Ligand-Target Pair | |
Dual specificity protein kinase CLK1
(Homo sapiens (Human)) | BDBM50234811
(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 antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/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 BindingDB Entry DOI: 10.7270/Q2S75JJV |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase Chk2
(Homo sapiens (Human)) | BDBM50363645
(DEBROMOHYMENIALDISINE)Show SMILES NC1=NC(C(=O)N1)=C1CCNC(=O)c2[nH]ccc12 |w:7.8,t:1| 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 antibodypedia GoogleScholar AffyNet
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PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 183 | n/a | n/a | n/a | n/a | n/a | n/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 BindingDB Entry DOI: 10.7270/Q2S75JJV |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cyclin-T1/Cyclin-dependent kinase 9
(Homo sapiens (Human)) | BDBM50234810
(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 antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/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 BindingDB Entry DOI: 10.7270/Q2S75JJV |
More data for this Ligand-Target Pair | |
Glycogen synthase kinase-3 beta
(Homo sapiens (Human)) | BDBM6878
(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 antibodypedia GoogleScholar AffyNet
| Purchase
DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 210 | n/a | n/a | n/a | n/a | n/a | n/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 BindingDB Entry DOI: 10.7270/Q2S75JJV |
More data for this Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human)) | BDBM50234812
(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 antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/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 BindingDB Entry DOI: 10.7270/Q2S75JJV |
More data for this Ligand-Target Pair | |
Dual specificity protein kinase CLK3
(Homo sapiens (Human)) | BDBM50234808
(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 antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 530 | n/a | n/a | n/a | n/a | n/a | n/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 BindingDB Entry DOI: 10.7270/Q2S75JJV |
More data for this Ligand-Target Pair | |
Serine/threonine-protein kinase Chk1
(Homo sapiens (Human)) | BDBM50363645
(DEBROMOHYMENIALDISINE)Show SMILES NC1=NC(C(=O)N1)=C1CCNC(=O)c2[nH]ccc12 |w:7.8,t:1| 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 antibodypedia GoogleScholar AffyNet
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PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 725 | n/a | n/a | n/a | n/a | n/a | n/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 BindingDB Entry DOI: 10.7270/Q2S75JJV |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human)) | BDBM50234809
(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 antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/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 BindingDB Entry DOI: 10.7270/Q2S75JJV |
More data for this Ligand-Target Pair | |
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
(Homo sapiens (Human)) | BDBM50234810
(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 antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
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Similars
| Article PubMed
| n/a | n/a | 7.00E+3 | n/a | n/a | n/a | n/a | n/a | n/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 BindingDB Entry DOI: 10.7270/Q2S75JJV |
More data for this Ligand-Target Pair | |
Glycogen synthase kinase-3
(Homo sapiens (Human)) | BDBM50234810
(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
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
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| Article PubMed
| n/a | n/a | 7.50E+3 | n/a | n/a | n/a | n/a | n/a | n/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 BindingDB Entry DOI: 10.7270/Q2S75JJV |
More data for this Ligand-Target Pair | |
Dual specificity protein kinase CLK2
(Homo sapiens (Human)) | BDBM4814
(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
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| Article PubMed
| n/a | n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/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 BindingDB Entry DOI: 10.7270/Q2S75JJV |
More data for this Ligand-Target Pair | |
Dual specificity protein kinase CLK1
(Homo sapiens (Human)) | BDBM50237710
(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
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CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
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| Article PubMed
| n/a | n/a | n/a | 2.10E+3 | n/a | n/a | n/a | n/a | n/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 BindingDB Entry DOI: 10.7270/Q2S75JJV |
More data for this Ligand-Target Pair | |
Dual specificity protein kinase CLK3
(Homo sapiens (Human)) | BDBM4552
(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
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CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
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| Article PubMed
| n/a | n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/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 BindingDB Entry DOI: 10.7270/Q2S75JJV |
More data for this Ligand-Target Pair | |
Dual specificity protein kinase CLK4
(Homo sapiens (Human)) | BDBM4814
(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
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| Article PubMed
| n/a | n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/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 BindingDB Entry DOI: 10.7270/Q2S75JJV |
More data for this Ligand-Target Pair | |
Dual specificity protein kinase CLK2
(Homo sapiens (Human)) | BDBM50355501
(INCB-018424 | RUXOLITINIB | RUXOLITINIB PHOSPHATE ...)Show SMILES N#CC[C@H](C1CCCC1)n1cc(cn1)-c1ncnc2[nH]ccc12 |r| 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
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| n/a | n/a | n/a | 460 | n/a | n/a | n/a | n/a | n/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 BindingDB Entry DOI: 10.7270/Q2S75JJV |
More data for this Ligand-Target Pair | |
Dual specificity protein kinase CLK2
(Homo sapiens (Human)) | BDBM4552
(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
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CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
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| Article PubMed
| n/a | n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a | n/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 BindingDB Entry DOI: 10.7270/Q2S75JJV |
More data for this Ligand-Target Pair | |
Dual specificity protein kinase CLK4
(Homo sapiens (Human)) | BDBM13530
(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
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CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
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| Article PubMed
| n/a | n/a | n/a | 2.10E+3 | n/a | n/a | n/a | n/a | n/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 BindingDB Entry DOI: 10.7270/Q2S75JJV |
More data for this Ligand-Target Pair | |
Dual specificity protein kinase CLK4
(Homo sapiens (Human)) | BDBM50355501
(INCB-018424 | RUXOLITINIB | RUXOLITINIB PHOSPHATE ...)Show SMILES N#CC[C@H](C1CCCC1)n1cc(cn1)-c1ncnc2[nH]ccc12 |r| 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
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DrugBank MCE PC cid PC sid PDB UniChem
Patents
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| Article PubMed
| n/a | n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a | n/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 BindingDB Entry DOI: 10.7270/Q2S75JJV |
More data for this Ligand-Target Pair | |
Dual specificity protein kinase CLK1
(Homo sapiens (Human)) | BDBM4552
(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
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B.MOAD antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
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| Article PubMed
| n/a | n/a | n/a | 600 | n/a | n/a | n/a | n/a | n/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 BindingDB Entry DOI: 10.7270/Q2S75JJV |
More data for this Ligand-Target Pair | |
Dual specificity protein kinase CLK1
(Homo sapiens (Human)) | BDBM4814
(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
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CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
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| Article PubMed
| n/a | n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/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 BindingDB Entry DOI: 10.7270/Q2S75JJV |
More data for this Ligand-Target Pair | |