Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 363.4 BDBM50342899

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 6 hits in this display   

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))	BDBM50342899 (6-(benzo[d][1,3]dioxol-5-yl)-N-((tetrahydro-2H-pyr...) Show SMILES C(Nc1ncnc2ccc(cc12)-c1ccc2OCOc2c1)C1CCCOC1 Show InChI InChI=1S/C21H21N3O3/c1-2-14(11-25-7-1)10-22-21-17-8-15(3-5-18(17)23-12-24-21)16-4-6-19-20(9-16)27-13-26-19/h3-6,8-9,12,14H,1-2,7,10-11,13H2,(H,22,23,24)	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	135	n/a	n/a	n/a	n/a	n/a	n/a
National Human Genome Research Institute Curated by ChEMBL					Assay Description Inhibition of Dyrk1A kinase using ATP as substrate by 33P radiolabelled kinase assay				Bioorg Med Chem Lett 21: 3152-8 (2011) Article DOI: 10.1016/j.bmcl.2011.02.114 BindingDB Entry DOI: 10.7270/Q2J67H83
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK4 (Homo sapiens (Human))	BDBM50342899 (6-(benzo[d][1,3]dioxol-5-yl)-N-((tetrahydro-2H-pyr...) Show SMILES C(Nc1ncnc2ccc(cc12)-c1ccc2OCOc2c1)C1CCCOC1 Show InChI InChI=1S/C21H21N3O3/c1-2-14(11-25-7-1)10-22-21-17-8-15(3-5-18(17)23-12-24-21)16-4-6-19-20(9-16)27-13-26-19/h3-6,8-9,12,14H,1-2,7,10-11,13H2,(H,22,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	257	n/a	n/a	n/a	n/a	n/a	n/a
National Human Genome Research Institute Curated by ChEMBL					Assay Description Inhibition of Clk4 kinase using ATP as substrate by 33P radiolabelled kinase assay				Bioorg Med Chem Lett 21: 3152-8 (2011) Article DOI: 10.1016/j.bmcl.2011.02.114 BindingDB Entry DOI: 10.7270/Q2J67H83
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK1 (Homo sapiens (Human))	BDBM50342899 (6-(benzo[d][1,3]dioxol-5-yl)-N-((tetrahydro-2H-pyr...) Show SMILES C(Nc1ncnc2ccc(cc12)-c1ccc2OCOc2c1)C1CCCOC1 Show InChI InChI=1S/C21H21N3O3/c1-2-14(11-25-7-1)10-22-21-17-8-15(3-5-18(17)23-12-24-21)16-4-6-19-20(9-16)27-13-26-19/h3-6,8-9,12,14H,1-2,7,10-11,13H2,(H,22,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	598	n/a	n/a	n/a	n/a	n/a	n/a
National Human Genome Research Institute Curated by ChEMBL					Assay Description Inhibition of Clk1 kinase using ATP as substrate by 33P radiolabelled kinase assay				Bioorg Med Chem Lett 21: 3152-8 (2011) Article DOI: 10.1016/j.bmcl.2011.02.114 BindingDB Entry DOI: 10.7270/Q2J67H83
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1B (Homo sapiens (Human))	BDBM50342899 (6-(benzo[d][1,3]dioxol-5-yl)-N-((tetrahydro-2H-pyr...) Show SMILES C(Nc1ncnc2ccc(cc12)-c1ccc2OCOc2c1)C1CCCOC1 Show InChI InChI=1S/C21H21N3O3/c1-2-14(11-25-7-1)10-22-21-17-8-15(3-5-18(17)23-12-24-21)16-4-6-19-20(9-16)27-13-26-19/h3-6,8-9,12,14H,1-2,7,10-11,13H2,(H,22,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	856	n/a	n/a	n/a	n/a	n/a	n/a
National Human Genome Research Institute Curated by ChEMBL					Assay Description Inhibition of Dyrk1B kinase using ATP as substrate by 33P radiolabelled kinase assay				Bioorg Med Chem Lett 21: 3152-8 (2011) Article DOI: 10.1016/j.bmcl.2011.02.114 BindingDB Entry DOI: 10.7270/Q2J67H83
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK2 (Homo sapiens (Human))	BDBM50342899 (6-(benzo[d][1,3]dioxol-5-yl)-N-((tetrahydro-2H-pyr...) Show SMILES C(Nc1ncnc2ccc(cc12)-c1ccc2OCOc2c1)C1CCCOC1 Show InChI InChI=1S/C21H21N3O3/c1-2-14(11-25-7-1)10-22-21-17-8-15(3-5-18(17)23-12-24-21)16-4-6-19-20(9-16)27-13-26-19/h3-6,8-9,12,14H,1-2,7,10-11,13H2,(H,22,23,24)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	882	n/a	n/a	n/a	n/a	n/a	n/a
National Human Genome Research Institute Curated by ChEMBL					Assay Description Inhibition of Clk2 kinase using ATP as substrate by 33P radiolabelled kinase assay				Bioorg Med Chem Lett 21: 3152-8 (2011) Article DOI: 10.1016/j.bmcl.2011.02.114 BindingDB Entry DOI: 10.7270/Q2J67H83
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK3 (Homo sapiens (Human))	BDBM50342899 (6-(benzo[d][1,3]dioxol-5-yl)-N-((tetrahydro-2H-pyr...) Show SMILES C(Nc1ncnc2ccc(cc12)-c1ccc2OCOc2c1)C1CCCOC1 Show InChI InChI=1S/C21H21N3O3/c1-2-14(11-25-7-1)10-22-21-17-8-15(3-5-18(17)23-12-24-21)16-4-6-19-20(9-16)27-13-26-19/h3-6,8-9,12,14H,1-2,7,10-11,13H2,(H,22,23,24)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.46E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Human Genome Research Institute Curated by ChEMBL					Assay Description Inhibition of Clk3 kinase using ATP as substrate by 33P radiolabelled kinase assay				Bioorg Med Chem Lett 21: 3152-8 (2011) Article DOI: 10.1016/j.bmcl.2011.02.114 BindingDB Entry DOI: 10.7270/Q2J67H83
					More data for this Ligand-Target Pair