Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 302.3 BDBM50435489

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

Found 8 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))	BDBM50435489 (CHEMBL1902528) Show SMILES C(Nc1nccc(n1)-c1ccc2[nH]ncc2c1)c1cccnc1 Show InChI InChI=1S/C17H14N6/c1-2-12(9-18-6-1)10-20-17-19-7-5-15(22-17)13-3-4-16-14(8-13)11-21-23-16/h1-9,11H,10H2,(H,21,23)(H,19,20,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Specialized Chemistry Center Curated by ChEMBL					Assay Description Inhibition of CLK4 (unknown origin) by bioluminescence assay				Bioorg Med Chem Lett 23: 3654-61 (2013) Article DOI: 10.1016/j.bmcl.2013.02.096 BindingDB Entry DOI: 10.7270/Q2M90B2B
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK4 (Homo sapiens (Human))	BDBM50435489 (CHEMBL1902528) Show SMILES C(Nc1nccc(n1)-c1ccc2[nH]ncc2c1)c1cccnc1 Show InChI InChI=1S/C17H14N6/c1-2-12(9-18-6-1)10-20-17-19-7-5-15(22-17)13-3-4-16-14(8-13)11-21-23-16/h1-9,11H,10H2,(H,21,23)(H,19,20,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Specialized Chemistry Center Curated by ChEMBL					Assay Description Inhibition of CLK4 (unknown origin)				Bioorg Med Chem Lett 23: 3654-61 (2013) Article DOI: 10.1016/j.bmcl.2013.02.096 BindingDB Entry DOI: 10.7270/Q2M90B2B
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM50435489 (CHEMBL1902528) Show SMILES C(Nc1nccc(n1)-c1ccc2[nH]ncc2c1)c1cccnc1 Show InChI InChI=1S/C17H14N6/c1-2-12(9-18-6-1)10-20-17-19-7-5-15(22-17)13-3-4-16-14(8-13)11-21-23-16/h1-9,11H,10H2,(H,21,23)(H,19,20,22)	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	61	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Specialized Chemistry Center Curated by ChEMBL					Assay Description Inhibition of DYRK1A (unknown origin)				Bioorg Med Chem Lett 23: 3654-61 (2013) Article DOI: 10.1016/j.bmcl.2013.02.096 BindingDB Entry DOI: 10.7270/Q2M90B2B
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK1 (Homo sapiens (Human))	BDBM50435489 (CHEMBL1902528) Show SMILES C(Nc1nccc(n1)-c1ccc2[nH]ncc2c1)c1cccnc1 Show InChI InChI=1S/C17H14N6/c1-2-12(9-18-6-1)10-20-17-19-7-5-15(22-17)13-3-4-16-14(8-13)11-21-23-16/h1-9,11H,10H2,(H,21,23)(H,19,20,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	73	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Specialized Chemistry Center Curated by ChEMBL					Assay Description Inhibition of CLK1 (unknown origin)				Bioorg Med Chem Lett 23: 3654-61 (2013) Article DOI: 10.1016/j.bmcl.2013.02.096 BindingDB Entry DOI: 10.7270/Q2M90B2B
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1B (Homo sapiens (Human))	BDBM50435489 (CHEMBL1902528) Show SMILES C(Nc1nccc(n1)-c1ccc2[nH]ncc2c1)c1cccnc1 Show InChI InChI=1S/C17H14N6/c1-2-12(9-18-6-1)10-20-17-19-7-5-15(22-17)13-3-4-16-14(8-13)11-21-23-16/h1-9,11H,10H2,(H,21,23)(H,19,20,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	93	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Specialized Chemistry Center Curated by ChEMBL					Assay Description Inhibition of DYRK1B (unknown origin)				Bioorg Med Chem Lett 23: 3654-61 (2013) Article DOI: 10.1016/j.bmcl.2013.02.096 BindingDB Entry DOI: 10.7270/Q2M90B2B
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM50435489 (CHEMBL1902528) Show SMILES C(Nc1nccc(n1)-c1ccc2[nH]ncc2c1)c1cccnc1 Show InChI InChI=1S/C17H14N6/c1-2-12(9-18-6-1)10-20-17-19-7-5-15(22-17)13-3-4-16-14(8-13)11-21-23-16/h1-9,11H,10H2,(H,21,23)(H,19,20,22)	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	150	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Specialized Chemistry Center Curated by ChEMBL					Assay Description Inhibition of DYRK1A (unknown origin) by bioluminescence assay				Bioorg Med Chem Lett 23: 3654-61 (2013) Article DOI: 10.1016/j.bmcl.2013.02.096 BindingDB Entry DOI: 10.7270/Q2M90B2B
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK2 (Homo sapiens (Human))	BDBM50435489 (CHEMBL1902528) Show SMILES C(Nc1nccc(n1)-c1ccc2[nH]ncc2c1)c1cccnc1 Show InChI InChI=1S/C17H14N6/c1-2-12(9-18-6-1)10-20-17-19-7-5-15(22-17)13-3-4-16-14(8-13)11-21-23-16/h1-9,11H,10H2,(H,21,23)(H,19,20,22)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	462	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Specialized Chemistry Center Curated by ChEMBL					Assay Description Inhibition of CLK2 (unknown origin)				Bioorg Med Chem Lett 23: 3654-61 (2013) Article DOI: 10.1016/j.bmcl.2013.02.096 BindingDB Entry DOI: 10.7270/Q2M90B2B
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK3 (Homo sapiens (Human))	BDBM50435489 (CHEMBL1902528) Show SMILES C(Nc1nccc(n1)-c1ccc2[nH]ncc2c1)c1cccnc1 Show InChI InChI=1S/C17H14N6/c1-2-12(9-18-6-1)10-20-17-19-7-5-15(22-17)13-3-4-16-14(8-13)11-21-23-16/h1-9,11H,10H2,(H,21,23)(H,19,20,22)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.66E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Specialized Chemistry Center Curated by ChEMBL					Assay Description Inhibition of CLK3 (unknown origin)				Bioorg Med Chem Lett 23: 3654-61 (2013) Article DOI: 10.1016/j.bmcl.2013.02.096 BindingDB Entry DOI: 10.7270/Q2M90B2B
					More data for this Ligand-Target Pair