BDBM50443639 CHEMBL3092862

SMILES: NCCOCCOCCOc1ccc(NC2=NC(=Cc3ccc4OCOc4c3)C(=O)N2)cc1

InChI Key: InChIKey=LZUJDIWVWSRLRQ-UHFFFAOYSA-N

Data: 11 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 50443639   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Dual specificity protein kinase CLK3 (Mus musculus)	BDBM50443639 (CHEMBL3092862) Show SMILES NCCOCCOCCOc1ccc(NC2=NC(=Cc3ccc4OCOc4c3)C(=O)N2)cc1 |w:18.18,t:15| Show InChI InChI=1S/C23H26N4O6/c24-7-8-29-9-10-30-11-12-31-18-4-2-17(3-5-18)25-23-26-19(22(28)27-23)13-16-1-6-20-21(14-16)33-15-32-20/h1-6,13-14H,7-12,15,24H2,(H2,25,26,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	810	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Rennes 1 Curated by ChEMBL					Assay Description Inhibition of mouse recombinant CLK3 expressed in Escherichia coli using GRSRSRSRSRSR as substrate				Eur J Med Chem 62: 728-37 (2013) Article DOI: 10.1016/j.ejmech.2013.01.035 BindingDB Entry DOI: 10.7270/Q2T1553Q
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK2 (Mus musculus)	BDBM50443639 (CHEMBL3092862) Show SMILES NCCOCCOCCOc1ccc(NC2=NC(=Cc3ccc4OCOc4c3)C(=O)N2)cc1 |w:18.18,t:15| Show InChI InChI=1S/C23H26N4O6/c24-7-8-29-9-10-30-11-12-31-18-4-2-17(3-5-18)25-23-26-19(22(28)27-23)13-16-1-6-20-21(14-16)33-15-32-20/h1-6,13-14H,7-12,15,24H2,(H2,25,26,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Rennes 1 Curated by ChEMBL					Assay Description Inhibition of mouse recombinant CLK2 expressed in Escherichia coli using GRSRSRSRSRSR as substrate				Eur J Med Chem 62: 728-37 (2013) Article DOI: 10.1016/j.ejmech.2013.01.035 BindingDB Entry DOI: 10.7270/Q2T1553Q
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK1 (Mus musculus)	BDBM50443639 (CHEMBL3092862) Show SMILES NCCOCCOCCOc1ccc(NC2=NC(=Cc3ccc4OCOc4c3)C(=O)N2)cc1 |w:18.18,t:15| Show InChI InChI=1S/C23H26N4O6/c24-7-8-29-9-10-30-11-12-31-18-4-2-17(3-5-18)25-23-26-19(22(28)27-23)13-16-1-6-20-21(14-16)33-15-32-20/h1-6,13-14H,7-12,15,24H2,(H2,25,26,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	75	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Rennes 1 Curated by ChEMBL					Assay Description Inhibition of mouse recombinant CLK1 expressed in Escherichia coli using GRSRSRSRSRSR as substrate				Eur J Med Chem 62: 728-37 (2013) Article DOI: 10.1016/j.ejmech.2013.01.035 BindingDB Entry DOI: 10.7270/Q2T1553Q
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9) (Homo sapiens (Human))	BDBM50443639 (CHEMBL3092862) Show SMILES NCCOCCOCCOc1ccc(NC2=NC(=Cc3ccc4OCOc4c3)C(=O)N2)cc1 |w:18.18,t:15| Show InChI InChI=1S/C23H26N4O6/c24-7-8-29-9-10-30-11-12-31-18-4-2-17(3-5-18)25-23-26-19(22(28)27-23)13-16-1-6-20-21(14-16)33-15-32-20/h1-6,13-14H,7-12,15,24H2,(H2,25,26,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Rennes 1 Curated by ChEMBL					Assay Description Inhibition of human recombinant CDK9/cyclin T using YSPTSPSYSPTSPSYSPTSPSKKKK as substrate				Eur J Med Chem 62: 728-37 (2013) Article DOI: 10.1016/j.ejmech.2013.01.035 BindingDB Entry DOI: 10.7270/Q2T1553Q
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5) (Homo sapiens (Human))	BDBM50443639 (CHEMBL3092862) Show SMILES NCCOCCOCCOc1ccc(NC2=NC(=Cc3ccc4OCOc4c3)C(=O)N2)cc1 |w:18.18,t:15| Show InChI InChI=1S/C23H26N4O6/c24-7-8-29-9-10-30-11-12-31-18-4-2-17(3-5-18)25-23-26-19(22(28)27-23)13-16-1-6-20-21(14-16)33-15-32-20/h1-6,13-14H,7-12,15,24H2,(H2,25,26,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Rennes 1 Curated by ChEMBL					Assay Description Inhibition of human recombinant CDK5/p25 using [gamma-33P]-ATP after 30 mins by scintillation counting				Eur J Med Chem 62: 728-37 (2013) Article DOI: 10.1016/j.ejmech.2013.01.035 BindingDB Entry DOI: 10.7270/Q2T1553Q
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK4 (Mus musculus)	BDBM50443639 (CHEMBL3092862) Show SMILES NCCOCCOCCOc1ccc(NC2=NC(=Cc3ccc4OCOc4c3)C(=O)N2)cc1 |w:18.18,t:15| Show InChI InChI=1S/C23H26N4O6/c24-7-8-29-9-10-30-11-12-31-18-4-2-17(3-5-18)25-23-26-19(22(28)27-23)13-16-1-6-20-21(14-16)33-15-32-20/h1-6,13-14H,7-12,15,24H2,(H2,25,26,27,28)	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	81	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Rennes 1 Curated by ChEMBL					Assay Description Inhibition of mouse recombinant CLK4 expressed in Escherichia coli using GRSRSRSRSRSR as substrate				Eur J Med Chem 62: 728-37 (2013) Article DOI: 10.1016/j.ejmech.2013.01.035 BindingDB Entry DOI: 10.7270/Q2T1553Q
					More data for this Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 3 (Homo sapiens (Human))	BDBM50443639 (CHEMBL3092862) Show SMILES NCCOCCOCCOc1ccc(NC2=NC(=Cc3ccc4OCOc4c3)C(=O)N2)cc1 |w:18.18,t:15| Show InChI InChI=1S/C23H26N4O6/c24-7-8-29-9-10-30-11-12-31-18-4-2-17(3-5-18)25-23-26-19(22(28)27-23)13-16-1-6-20-21(14-16)33-15-32-20/h1-6,13-14H,7-12,15,24H2,(H2,25,26,27,28)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Rennes 1 Curated by ChEMBL					Assay Description Inhibition of human recombinant DYRK3 expressed in Escherichia coli using GRSRSRSRSRSR as substrate				Eur J Med Chem 62: 728-37 (2013) Article DOI: 10.1016/j.ejmech.2013.01.035 BindingDB Entry DOI: 10.7270/Q2T1553Q
					More data for this Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 2 (Homo sapiens (Human))	BDBM50443639 (CHEMBL3092862) Show SMILES NCCOCCOCCOc1ccc(NC2=NC(=Cc3ccc4OCOc4c3)C(=O)N2)cc1 |w:18.18,t:15| Show InChI InChI=1S/C23H26N4O6/c24-7-8-29-9-10-30-11-12-31-18-4-2-17(3-5-18)25-23-26-19(22(28)27-23)13-16-1-6-20-21(14-16)33-15-32-20/h1-6,13-14H,7-12,15,24H2,(H2,25,26,27,28)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Rennes 1 Curated by ChEMBL					Assay Description Inhibition of human recombinant DYRK2 expressed in Escherichia coli using GRSRSRSRSRSR as substrate				Eur J Med Chem 62: 728-37 (2013) Article DOI: 10.1016/j.ejmech.2013.01.035 BindingDB Entry DOI: 10.7270/Q2T1553Q
					More data for this Ligand-Target Pair
Dual-specificity tyrosine-regulated kinases 1B (Homo sapiens (Human))	BDBM50443639 (CHEMBL3092862) Show SMILES NCCOCCOCCOc1ccc(NC2=NC(=Cc3ccc4OCOc4c3)C(=O)N2)cc1 |w:18.18,t:15| Show InChI InChI=1S/C23H26N4O6/c24-7-8-29-9-10-30-11-12-31-18-4-2-17(3-5-18)25-23-26-19(22(28)27-23)13-16-1-6-20-21(14-16)33-15-32-20/h1-6,13-14H,7-12,15,24H2,(H2,25,26,27,28)	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Rennes 1 Curated by ChEMBL					Assay Description Inhibition of human recombinant DYRK1B expressed in Escherichia coli using GRSRSRSRSRSR as substrate				Eur J Med Chem 62: 728-37 (2013) Article DOI: 10.1016/j.ejmech.2013.01.035 BindingDB Entry DOI: 10.7270/Q2T1553Q
					More data for this Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A (Homo sapiens (Human))	BDBM50443639 (CHEMBL3092862) Show SMILES NCCOCCOCCOc1ccc(NC2=NC(=Cc3ccc4OCOc4c3)C(=O)N2)cc1 |w:18.18,t:15| Show InChI InChI=1S/C23H26N4O6/c24-7-8-29-9-10-30-11-12-31-18-4-2-17(3-5-18)25-23-26-19(22(28)27-23)13-16-1-6-20-21(14-16)33-15-32-20/h1-6,13-14H,7-12,15,24H2,(H2,25,26,27,28)	PDB MMDB 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
Universit£ de Rennes 1 Curated by ChEMBL					Assay Description Inhibition of human recombinant DYRK1A expressed in Escherichia coli using GRSRSRSRSRSR as substrate				Eur J Med Chem 62: 728-37 (2013) Article DOI: 10.1016/j.ejmech.2013.01.035 BindingDB Entry DOI: 10.7270/Q2T1553Q
					More data for this Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2) (Homo sapiens (Human))	BDBM50443639 (CHEMBL3092862) Show SMILES NCCOCCOCCOc1ccc(NC2=NC(=Cc3ccc4OCOc4c3)C(=O)N2)cc1 |w:18.18,t:15| Show InChI InChI=1S/C23H26N4O6/c24-7-8-29-9-10-30-11-12-31-18-4-2-17(3-5-18)25-23-26-19(22(28)27-23)13-16-1-6-20-21(14-16)33-15-32-20/h1-6,13-14H,7-12,15,24H2,(H2,25,26,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Rennes 1 Curated by ChEMBL					Assay Description Inhibition of human recombinant CDK2/cyclin A using [gamma-33P]-ATP after 30 mins by scintillation counting				Eur J Med Chem 62: 728-37 (2013) Article DOI: 10.1016/j.ejmech.2013.01.035 BindingDB Entry DOI: 10.7270/Q2T1553Q
					More data for this Ligand-Target Pair