Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 359.3 BDBM50342901

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 protein kinase CLK1 (Homo sapiens (Human))	BDBM50342901 (6-(benzo[d][1,3]dioxol-5-yl)-N-(furan-2-ylmethyl)-...) Show SMILES CN(Cc1ccco1)c1ncnc2ccc(cc12)-c1ccc2OCOc2c1 Show InChI InChI=1S/C21H17N3O3/c1-24(11-16-3-2-8-25-16)21-17-9-14(4-6-18(17)22-12-23-21)15-5-7-19-20(10-15)27-13-26-19/h2-10,12H,11,13H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	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 protein kinase CLK4 (Homo sapiens (Human))	BDBM50342901 (6-(benzo[d][1,3]dioxol-5-yl)-N-(furan-2-ylmethyl)-...) Show SMILES CN(Cc1ccco1)c1ncnc2ccc(cc12)-c1ccc2OCOc2c1 Show InChI InChI=1S/C21H17N3O3/c1-24(11-16-3-2-8-25-16)21-17-9-14(4-6-18(17)22-12-23-21)15-5-7-19-20(10-15)27-13-26-19/h2-10,12H,11,13H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	36	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 tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM50342901 (6-(benzo[d][1,3]dioxol-5-yl)-N-(furan-2-ylmethyl)-...) Show SMILES CN(Cc1ccco1)c1ncnc2ccc(cc12)-c1ccc2OCOc2c1 Show InChI InChI=1S/C21H17N3O3/c1-24(11-16-3-2-8-25-16)21-17-9-14(4-6-18(17)22-12-23-21)15-5-7-19-20(10-15)27-13-26-19/h2-10,12H,11,13H2,1H3	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	98	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 tyrosine-phosphorylation-regulated kinase 1B (Homo sapiens (Human))	BDBM50342901 (6-(benzo[d][1,3]dioxol-5-yl)-N-(furan-2-ylmethyl)-...) Show SMILES CN(Cc1ccco1)c1ncnc2ccc(cc12)-c1ccc2OCOc2c1 Show InChI InChI=1S/C21H17N3O3/c1-24(11-16-3-2-8-25-16)21-17-9-14(4-6-18(17)22-12-23-21)15-5-7-19-20(10-15)27-13-26-19/h2-10,12H,11,13H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	452	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))	BDBM50342901 (6-(benzo[d][1,3]dioxol-5-yl)-N-(furan-2-ylmethyl)-...) Show SMILES CN(Cc1ccco1)c1ncnc2ccc(cc12)-c1ccc2OCOc2c1 Show InChI InChI=1S/C21H17N3O3/c1-24(11-16-3-2-8-25-16)21-17-9-14(4-6-18(17)22-12-23-21)15-5-7-19-20(10-15)27-13-26-19/h2-10,12H,11,13H2,1H3	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	692	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))	BDBM50342901 (6-(benzo[d][1,3]dioxol-5-yl)-N-(furan-2-ylmethyl)-...) Show SMILES CN(Cc1ccco1)c1ncnc2ccc(cc12)-c1ccc2OCOc2c1 Show InChI InChI=1S/C21H17N3O3/c1-24(11-16-3-2-8-25-16)21-17-9-14(4-6-18(17)22-12-23-21)15-5-7-19-20(10-15)27-13-26-19/h2-10,12H,11,13H2,1H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.74E+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