Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 390.4 BDBM50342916

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

Found 19 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 CLK4 (Homo sapiens (Human))	BDBM50342916 (6-(benzo[d][1,3]dioxol-5-yl)-N-methyl-N-((2-methyl...) Show SMILES CN(Cc1csc(C)n1)c1ncnc2ccc(cc12)-c1ccc2OCOc2c1 Show InChI InChI=1S/C21H18N4O2S/c1-13-24-16(10-28-13)9-25(2)21-17-7-14(3-5-18(17)22-11-23-21)15-4-6-19-20(8-15)27-12-26-19/h3-8,10-11H,9,12H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	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))	BDBM50342916 (6-(benzo[d][1,3]dioxol-5-yl)-N-methyl-N-((2-methyl...) Show SMILES CN(Cc1csc(C)n1)c1ncnc2ccc(cc12)-c1ccc2OCOc2c1 Show InChI InChI=1S/C21H18N4O2S/c1-13-24-16(10-28-13)9-25(2)21-17-7-14(3-5-18(17)22-11-23-21)15-4-6-19-20(8-15)27-12-26-19/h3-8,10-11H,9,12H2,1-2H3	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	14	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 CLK1 (Homo sapiens (Human))	BDBM50342916 (6-(benzo[d][1,3]dioxol-5-yl)-N-methyl-N-((2-methyl...) Show SMILES CN(Cc1csc(C)n1)c1ncnc2ccc(cc12)-c1ccc2OCOc2c1 Show InChI InChI=1S/C21H18N4O2S/c1-13-24-16(10-28-13)9-25(2)21-17-7-14(3-5-18(17)22-11-23-21)15-4-6-19-20(8-15)27-12-26-19/h3-8,10-11H,9,12H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	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
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))	BDBM50342916 (6-(benzo[d][1,3]dioxol-5-yl)-N-methyl-N-((2-methyl...) Show SMILES CN(Cc1csc(C)n1)c1ncnc2ccc(cc12)-c1ccc2OCOc2c1 Show InChI InChI=1S/C21H18N4O2S/c1-13-24-16(10-28-13)9-25(2)21-17-7-14(3-5-18(17)22-11-23-21)15-4-6-19-20(8-15)27-12-26-19/h3-8,10-11H,9,12H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	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))	BDBM50342916 (6-(benzo[d][1,3]dioxol-5-yl)-N-methyl-N-((2-methyl...) Show SMILES CN(Cc1csc(C)n1)c1ncnc2ccc(cc12)-c1ccc2OCOc2c1 Show InChI InChI=1S/C21H18N4O2S/c1-13-24-16(10-28-13)9-25(2)21-17-7-14(3-5-18(17)22-11-23-21)15-4-6-19-20(8-15)27-12-26-19/h3-8,10-11H,9,12H2,1-2H3	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	186	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))	BDBM50342916 (6-(benzo[d][1,3]dioxol-5-yl)-N-methyl-N-((2-methyl...) Show SMILES CN(Cc1csc(C)n1)c1ncnc2ccc(cc12)-c1ccc2OCOc2c1 Show InChI InChI=1S/C21H18N4O2S/c1-13-24-16(10-28-13)9-25(2)21-17-7-14(3-5-18(17)22-11-23-21)15-4-6-19-20(8-15)27-12-26-19/h3-8,10-11H,9,12H2,1-2H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.92E+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
Dual specificity protein kinase CLK4 (Homo sapiens (Human))	BDBM50342916 (6-(benzo[d][1,3]dioxol-5-yl)-N-methyl-N-((2-methyl...) Show SMILES CN(Cc1csc(C)n1)c1ncnc2ccc(cc12)-c1ccc2OCOc2c1 Show InChI InChI=1S/C21H18N4O2S/c1-13-24-16(10-28-13)9-25(2)21-17-7-14(3-5-18(17)22-11-23-21)15-4-6-19-20(8-15)27-12-26-19/h3-8,10-11H,9,12H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a
National Human Genome Research Institute Curated by ChEMBL					Assay Description Binding affinity to human Clk4				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))	BDBM50342916 (6-(benzo[d][1,3]dioxol-5-yl)-N-methyl-N-((2-methyl...) Show SMILES CN(Cc1csc(C)n1)c1ncnc2ccc(cc12)-c1ccc2OCOc2c1 Show InChI InChI=1S/C21H18N4O2S/c1-13-24-16(10-28-13)9-25(2)21-17-7-14(3-5-18(17)22-11-23-21)15-4-6-19-20(8-15)27-12-26-19/h3-8,10-11H,9,12H2,1-2H3	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	n/a	13	n/a	n/a	n/a	n/a	n/a
National Human Genome Research Institute Curated by ChEMBL					Assay Description Binding affinity to human Dyrk1A				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))	BDBM50342916 (6-(benzo[d][1,3]dioxol-5-yl)-N-methyl-N-((2-methyl...) Show SMILES CN(Cc1csc(C)n1)c1ncnc2ccc(cc12)-c1ccc2OCOc2c1 Show InChI InChI=1S/C21H18N4O2S/c1-13-24-16(10-28-13)9-25(2)21-17-7-14(3-5-18(17)22-11-23-21)15-4-6-19-20(8-15)27-12-26-19/h3-8,10-11H,9,12H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a
National Human Genome Research Institute Curated by ChEMBL					Assay Description Binding affinity to human Clk1				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
Phosphatidylinositol 3-kinase C2 domain-containing subunit gamma (Homo sapiens (Human))	BDBM50342916 (6-(benzo[d][1,3]dioxol-5-yl)-N-methyl-N-((2-methyl...) Show SMILES CN(Cc1csc(C)n1)c1ncnc2ccc(cc12)-c1ccc2OCOc2c1 Show InChI InChI=1S/C21H18N4O2S/c1-13-24-16(10-28-13)9-25(2)21-17-7-14(3-5-18(17)22-11-23-21)15-4-6-19-20(8-15)27-12-26-19/h3-8,10-11H,9,12H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a
National Human Genome Research Institute Curated by ChEMBL					Assay Description Binding affinity to human PIK3C2G				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 mitogen-activated protein kinase kinase 5 (Homo sapiens (Human))	BDBM50342916 (6-(benzo[d][1,3]dioxol-5-yl)-N-methyl-N-((2-methyl...) Show SMILES CN(Cc1csc(C)n1)c1ncnc2ccc(cc12)-c1ccc2OCOc2c1 Show InChI InChI=1S/C21H18N4O2S/c1-13-24-16(10-28-13)9-25(2)21-17-7-14(3-5-18(17)22-11-23-21)15-4-6-19-20(8-15)27-12-26-19/h3-8,10-11H,9,12H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a
National Human Genome Research Institute Curated by ChEMBL					Assay Description Binding affinity to human Mek5				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))	BDBM50342916 (6-(benzo[d][1,3]dioxol-5-yl)-N-methyl-N-((2-methyl...) Show SMILES CN(Cc1csc(C)n1)c1ncnc2ccc(cc12)-c1ccc2OCOc2c1 Show InChI InChI=1S/C21H18N4O2S/c1-13-24-16(10-28-13)9-25(2)21-17-7-14(3-5-18(17)22-11-23-21)15-4-6-19-20(8-15)27-12-26-19/h3-8,10-11H,9,12H2,1-2H3	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	59	n/a	n/a	n/a	n/a	n/a
National Human Genome Research Institute Curated by ChEMBL					Assay Description Binding affinity to human Clk2				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 2 (Homo sapiens (Human))	BDBM50342916 (6-(benzo[d][1,3]dioxol-5-yl)-N-methyl-N-((2-methyl...) Show SMILES CN(Cc1csc(C)n1)c1ncnc2ccc(cc12)-c1ccc2OCOc2c1 Show InChI InChI=1S/C21H18N4O2S/c1-13-24-16(10-28-13)9-25(2)21-17-7-14(3-5-18(17)22-11-23-21)15-4-6-19-20(8-15)27-12-26-19/h3-8,10-11H,9,12H2,1-2H3	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	n/a	480	n/a	n/a	n/a	n/a	n/a
National Human Genome Research Institute Curated by ChEMBL					Assay Description Binding affinity to human Dyrk2				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
Mitogen-activated protein kinase 15 (Homo sapiens (Human))	BDBM50342916 (6-(benzo[d][1,3]dioxol-5-yl)-N-methyl-N-((2-methyl...) Show SMILES CN(Cc1csc(C)n1)c1ncnc2ccc(cc12)-c1ccc2OCOc2c1 Show InChI InChI=1S/C21H18N4O2S/c1-13-24-16(10-28-13)9-25(2)21-17-7-14(3-5-18(17)22-11-23-21)15-4-6-19-20(8-15)27-12-26-19/h3-8,10-11H,9,12H2,1-2H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	430	n/a	n/a	n/a	n/a	n/a
National Human Genome Research Institute Curated by ChEMBL					Assay Description Binding affinity to human Erk8				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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50342916 (6-(benzo[d][1,3]dioxol-5-yl)-N-methyl-N-((2-methyl...) Show SMILES CN(Cc1csc(C)n1)c1ncnc2ccc(cc12)-c1ccc2OCOc2c1 Show InChI InChI=1S/C21H18N4O2S/c1-13-24-16(10-28-13)9-25(2)21-17-7-14(3-5-18(17)22-11-23-21)15-4-6-19-20(8-15)27-12-26-19/h3-8,10-11H,9,12H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a
National Human Genome Research Institute Curated by ChEMBL					Assay Description Binding affinity to human PIK3CG				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
Phosphatidylinositol 5-phosphate 4-kinase type-2 gamma (Homo sapiens (Human))	BDBM50342916 (6-(benzo[d][1,3]dioxol-5-yl)-N-methyl-N-((2-methyl...) Show SMILES CN(Cc1csc(C)n1)c1ncnc2ccc(cc12)-c1ccc2OCOc2c1 Show InChI InChI=1S/C21H18N4O2S/c1-13-24-16(10-28-13)9-25(2)21-17-7-14(3-5-18(17)22-11-23-21)15-4-6-19-20(8-15)27-12-26-19/h3-8,10-11H,9,12H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	360	n/a	n/a	n/a	n/a	n/a
National Human Genome Research Institute Curated by ChEMBL					Assay Description Binding affinity to human PIP5K2C				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
Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit beta (Homo sapiens (Human))	BDBM50342916 (6-(benzo[d][1,3]dioxol-5-yl)-N-methyl-N-((2-methyl...) Show SMILES CN(Cc1csc(C)n1)c1ncnc2ccc(cc12)-c1ccc2OCOc2c1 Show InChI InChI=1S/C21H18N4O2S/c1-13-24-16(10-28-13)9-25(2)21-17-7-14(3-5-18(17)22-11-23-21)15-4-6-19-20(8-15)27-12-26-19/h3-8,10-11H,9,12H2,1-2H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a
National Human Genome Research Institute Curated by ChEMBL					Assay Description Binding affinity to human PIK3C2B				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
Mitogen-activated protein kinase kinase kinase 19 (Homo sapiens (Human))	BDBM50342916 (6-(benzo[d][1,3]dioxol-5-yl)-N-methyl-N-((2-methyl...) Show SMILES CN(Cc1csc(C)n1)c1ncnc2ccc(cc12)-c1ccc2OCOc2c1 Show InChI InChI=1S/C21H18N4O2S/c1-13-24-16(10-28-13)9-25(2)21-17-7-14(3-5-18(17)22-11-23-21)15-4-6-19-20(8-15)27-12-26-19/h3-8,10-11H,9,12H2,1-2H3	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a
National Human Genome Research Institute Curated by ChEMBL					Assay Description Binding affinity to human Ysk4				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))	BDBM50342916 (6-(benzo[d][1,3]dioxol-5-yl)-N-methyl-N-((2-methyl...) Show SMILES CN(Cc1csc(C)n1)c1ncnc2ccc(cc12)-c1ccc2OCOc2c1 Show InChI InChI=1S/C21H18N4O2S/c1-13-24-16(10-28-13)9-25(2)21-17-7-14(3-5-18(17)22-11-23-21)15-4-6-19-20(8-15)27-12-26-19/h3-8,10-11H,9,12H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a
National Human Genome Research Institute Curated by ChEMBL					Assay Description Binding affinity to human Dyrk1B				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