Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 374.3 BDBM50204650

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

Found 4 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))	BDBM50204650 (CHEMBL3912662) Show SMILES NC(=O)c1cc(ccc1O)-c1cn2cc(ccc2n1)-c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C20H14N4O4/c21-20(26)16-9-13(3-7-18(16)25)17-11-23-10-14(4-8-19(23)22-17)12-1-5-15(6-2-12)24(27)28/h1-11,25H,(H2,21,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Paris-Saclay Curated by ChEMBL					Assay Description Inhibition of DYRK1A (unknown origin)				Eur J Med Chem 123: 105-114 (2016) Article DOI: 10.1016/j.ejmech.2016.07.040 BindingDB Entry DOI: 10.7270/Q2GT5Q4M
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 (Homo sapiens (Human))	BDBM50204650 (CHEMBL3912662) Show SMILES NC(=O)c1cc(ccc1O)-c1cn2cc(ccc2n1)-c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C20H14N4O4/c21-20(26)16-9-13(3-7-18(16)25)17-11-23-10-14(4-8-19(23)22-17)12-1-5-15(6-2-12)24(27)28/h1-11,25H,(H2,21,26)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Paris-Saclay Curated by ChEMBL					Assay Description Inhibition of GSK-3 alpha/beta (unknown origin)				Eur J Med Chem 123: 105-114 (2016) Article DOI: 10.1016/j.ejmech.2016.07.040 BindingDB Entry DOI: 10.7270/Q2GT5Q4M
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK1 (Homo sapiens (Human))	BDBM50204650 (CHEMBL3912662) Show SMILES NC(=O)c1cc(ccc1O)-c1cn2cc(ccc2n1)-c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C20H14N4O4/c21-20(26)16-9-13(3-7-18(16)25)17-11-23-10-14(4-8-19(23)22-17)12-1-5-15(6-2-12)24(27)28/h1-11,25H,(H2,21,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Paris-Saclay Curated by ChEMBL					Assay Description Inhibition of CLK1 (unknown origin)				Eur J Med Chem 123: 105-114 (2016) Article DOI: 10.1016/j.ejmech.2016.07.040 BindingDB Entry DOI: 10.7270/Q2GT5Q4M
					More data for this Ligand-Target Pair
Casein kinase I delta/epsilon (Homo sapiens (Human))	BDBM50204650 (CHEMBL3912662) Show SMILES NC(=O)c1cc(ccc1O)-c1cn2cc(ccc2n1)-c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C20H14N4O4/c21-20(26)16-9-13(3-7-18(16)25)17-11-23-10-14(4-8-19(23)22-17)12-1-5-15(6-2-12)24(27)28/h1-11,25H,(H2,21,26)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Paris-Saclay Curated by ChEMBL					Assay Description Inhibition of CK1 delta/epsilon (unknown origin)				Eur J Med Chem 123: 105-114 (2016) Article DOI: 10.1016/j.ejmech.2016.07.040 BindingDB Entry DOI: 10.7270/Q2GT5Q4M
					More data for this Ligand-Target Pair