Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 337.3 BDBM50347747

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

Found 17 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 2 (Homo sapiens (Human))	BDBM50347747 (CHEMBL1802355) Show SMILES COc1ccc(NC2=NC(=Cc3ccc4OCOc4c3)C(=O)N2)cc1 |w:10.10,t:7| Show InChI InChI=1S/C18H15N3O4/c1-23-13-5-3-12(4-6-13)19-18-20-14(17(22)21-18)8-11-2-7-15-16(9-11)25-10-24-15/h2-9H,10H2,1H3,(H2,19,20,21,22)	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	80	n/a	n/a	n/a	n/a	n/a	n/a
Universite£? de Rennes 1 Curated by ChEMBL					Assay Description Inhibition of human recombinant GST-tagged DYRK2 using KKISGRLSPIMTEQ as substrate and [gamma32]-ATP after 30 mins by scintillation counting				J Med Chem 54: 4172-86 (2011) Article DOI: 10.1021/jm200274d BindingDB Entry DOI: 10.7270/Q27D2VHR
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM50347747 (CHEMBL1802355) Show SMILES COc1ccc(NC2=NC(=Cc3ccc4OCOc4c3)C(=O)N2)cc1 |w:10.10,t:7| Show InChI InChI=1S/C18H15N3O4/c1-23-13-5-3-12(4-6-13)19-18-20-14(17(22)21-18)8-11-2-7-15-16(9-11)25-10-24-15/h2-9H,10H2,1H3,(H2,19,20,21,22)	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	110	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01141 BindingDB Entry DOI: 10.7270/Q2FN1B7V
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (RAT)	BDBM50347747 (CHEMBL1802355) Show SMILES COc1ccc(NC2=NC(=Cc3ccc4OCOc4c3)C(=O)N2)cc1 |w:10.10,t:7| Show InChI InChI=1S/C18H15N3O4/c1-23-13-5-3-12(4-6-13)19-18-20-14(17(22)21-18)8-11-2-7-15-16(9-11)25-10-24-15/h2-9H,10H2,1H3,(H2,19,20,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Universite£? de Rennes 1 Curated by ChEMBL					Assay Description Inhibition of rat recombinant GST-tagged DYRK1A using KKISGRLSPIMTEQ as substrate and [gamma32]-ATP after 30 mins by scintillation counting				J Med Chem 54: 4172-86 (2011) Article DOI: 10.1021/jm200274d BindingDB Entry DOI: 10.7270/Q27D2VHR
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK4 (Mus musculus)	BDBM50347747 (CHEMBL1802355) Show SMILES COc1ccc(NC2=NC(=Cc3ccc4OCOc4c3)C(=O)N2)cc1 |w:10.10,t:7| Show InChI InChI=1S/C18H15N3O4/c1-23-13-5-3-12(4-6-13)19-18-20-14(17(22)21-18)8-11-2-7-15-16(9-11)25-10-24-15/h2-9H,10H2,1H3,(H2,19,20,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01141 BindingDB Entry DOI: 10.7270/Q2FN1B7V
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 2 (Homo sapiens (Human))	BDBM50347747 (CHEMBL1802355) Show SMILES COc1ccc(NC2=NC(=Cc3ccc4OCOc4c3)C(=O)N2)cc1 |w:10.10,t:7| Show InChI InChI=1S/C18H15N3O4/c1-23-13-5-3-12(4-6-13)19-18-20-14(17(22)21-18)8-11-2-7-15-16(9-11)25-10-24-15/h2-9H,10H2,1H3,(H2,19,20,21,22)	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	130	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01141 BindingDB Entry DOI: 10.7270/Q2FN1B7V
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK1 (Mus musculus)	BDBM50347747 (CHEMBL1802355) Show SMILES COc1ccc(NC2=NC(=Cc3ccc4OCOc4c3)C(=O)N2)cc1 |w:10.10,t:7| Show InChI InChI=1S/C18H15N3O4/c1-23-13-5-3-12(4-6-13)19-18-20-14(17(22)21-18)8-11-2-7-15-16(9-11)25-10-24-15/h2-9H,10H2,1H3,(H2,19,20,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01141 BindingDB Entry DOI: 10.7270/Q2FN1B7V
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1B (Homo sapiens (Human))	BDBM50347747 (CHEMBL1802355) Show SMILES COc1ccc(NC2=NC(=Cc3ccc4OCOc4c3)C(=O)N2)cc1 |w:10.10,t:7| Show InChI InChI=1S/C18H15N3O4/c1-23-13-5-3-12(4-6-13)19-18-20-14(17(22)21-18)8-11-2-7-15-16(9-11)25-10-24-15/h2-9H,10H2,1H3,(H2,19,20,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01141 BindingDB Entry DOI: 10.7270/Q2FN1B7V
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK1 (Mus musculus)	BDBM50347747 (CHEMBL1802355) Show SMILES COc1ccc(NC2=NC(=Cc3ccc4OCOc4c3)C(=O)N2)cc1 |w:10.10,t:7| Show InChI InChI=1S/C18H15N3O4/c1-23-13-5-3-12(4-6-13)19-18-20-14(17(22)21-18)8-11-2-7-15-16(9-11)25-10-24-15/h2-9H,10H2,1H3,(H2,19,20,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	830	n/a	n/a	n/a	n/a	n/a	n/a
Universite£? de Rennes 1 Curated by ChEMBL					Assay Description Inhibition of mouse recombinant GST-tagged CLK1 using GRSRSRSRSRSR as substrate				J Med Chem 54: 4172-86 (2011) Article DOI: 10.1021/jm200274d BindingDB Entry DOI: 10.7270/Q27D2VHR
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 3 (Homo sapiens (Human))	BDBM50347747 (CHEMBL1802355) Show SMILES COc1ccc(NC2=NC(=Cc3ccc4OCOc4c3)C(=O)N2)cc1 |w:10.10,t:7| Show InChI InChI=1S/C18H15N3O4/c1-23-13-5-3-12(4-6-13)19-18-20-14(17(22)21-18)8-11-2-7-15-16(9-11)25-10-24-15/h2-9H,10H2,1H3,(H2,19,20,21,22)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01141 BindingDB Entry DOI: 10.7270/Q2FN1B7V
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK2 (Mus musculus)	BDBM50347747 (CHEMBL1802355) Show SMILES COc1ccc(NC2=NC(=Cc3ccc4OCOc4c3)C(=O)N2)cc1 |w:10.10,t:7| Show InChI InChI=1S/C18H15N3O4/c1-23-13-5-3-12(4-6-13)19-18-20-14(17(22)21-18)8-11-2-7-15-16(9-11)25-10-24-15/h2-9H,10H2,1H3,(H2,19,20,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01141 BindingDB Entry DOI: 10.7270/Q2FN1B7V
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50347747 (CHEMBL1802355) Show SMILES COc1ccc(NC2=NC(=Cc3ccc4OCOc4c3)C(=O)N2)cc1 |w:10.10,t:7| Show InChI InChI=1S/C18H15N3O4/c1-23-13-5-3-12(4-6-13)19-18-20-14(17(22)21-18)8-11-2-7-15-16(9-11)25-10-24-15/h2-9H,10H2,1H3,(H2,19,20,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01141 BindingDB Entry DOI: 10.7270/Q2FN1B7V
					More data for this Ligand-Target Pair
Casein kinase II subunit alpha 3 (Homo sapiens)	BDBM50347747 (CHEMBL1802355) Show SMILES COc1ccc(NC2=NC(=Cc3ccc4OCOc4c3)C(=O)N2)cc1 |w:10.10,t:7| Show InChI InChI=1S/C18H15N3O4/c1-23-13-5-3-12(4-6-13)19-18-20-14(17(22)21-18)8-11-2-7-15-16(9-11)25-10-24-15/h2-9H,10H2,1H3,(H2,19,20,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01141 BindingDB Entry DOI: 10.7270/Q2FN1B7V
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta/[Tau protein] kinase (Sus scrofa)	BDBM50347747 (CHEMBL1802355) Show SMILES COc1ccc(NC2=NC(=Cc3ccc4OCOc4c3)C(=O)N2)cc1 |w:10.10,t:7| Show InChI InChI=1S/C18H15N3O4/c1-23-13-5-3-12(4-6-13)19-18-20-14(17(22)21-18)8-11-2-7-15-16(9-11)25-10-24-15/h2-9H,10H2,1H3,(H2,19,20,21,22)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01141 BindingDB Entry DOI: 10.7270/Q2FN1B7V
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM50347747 (CHEMBL1802355) Show SMILES COc1ccc(NC2=NC(=Cc3ccc4OCOc4c3)C(=O)N2)cc1 |w:10.10,t:7| Show InChI InChI=1S/C18H15N3O4/c1-23-13-5-3-12(4-6-13)19-18-20-14(17(22)21-18)8-11-2-7-15-16(9-11)25-10-24-15/h2-9H,10H2,1H3,(H2,19,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universite£? de Rennes 1 Curated by ChEMBL					Assay Description Inhibition of human recombinant CDK5/p25				J Med Chem 54: 4172-86 (2011) Article DOI: 10.1021/jm200274d BindingDB Entry DOI: 10.7270/Q27D2VHR
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50347747 (CHEMBL1802355) Show SMILES COc1ccc(NC2=NC(=Cc3ccc4OCOc4c3)C(=O)N2)cc1 |w:10.10,t:7| Show InChI InChI=1S/C18H15N3O4/c1-23-13-5-3-12(4-6-13)19-18-20-14(17(22)21-18)8-11-2-7-15-16(9-11)25-10-24-15/h2-9H,10H2,1H3,(H2,19,20,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universite£? de Rennes 1 Curated by ChEMBL					Assay Description Inhibition of human recombinant Pim1				J Med Chem 54: 4172-86 (2011) Article DOI: 10.1021/jm200274d BindingDB Entry DOI: 10.7270/Q27D2VHR
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK3 (Mus musculus)	BDBM50347747 (CHEMBL1802355) Show SMILES COc1ccc(NC2=NC(=Cc3ccc4OCOc4c3)C(=O)N2)cc1 |w:10.10,t:7| Show InChI InChI=1S/C18H15N3O4/c1-23-13-5-3-12(4-6-13)19-18-20-14(17(22)21-18)8-11-2-7-15-16(9-11)25-10-24-15/h2-9H,10H2,1H3,(H2,19,20,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universite£? de Rennes 1 Curated by ChEMBL					Assay Description Inhibition of mouse recombinant GST-tagged CLK3 using GRSRSRSRSRSR as substrate				J Med Chem 54: 4172-86 (2011) Article DOI: 10.1021/jm200274d BindingDB Entry DOI: 10.7270/Q27D2VHR
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK3 (Mus musculus)	BDBM50347747 (CHEMBL1802355) Show SMILES COc1ccc(NC2=NC(=Cc3ccc4OCOc4c3)C(=O)N2)cc1 |w:10.10,t:7| Show InChI InChI=1S/C18H15N3O4/c1-23-13-5-3-12(4-6-13)19-18-20-14(17(22)21-18)8-11-2-7-15-16(9-11)25-10-24-15/h2-9H,10H2,1H3,(H2,19,20,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01141 BindingDB Entry DOI: 10.7270/Q2FN1B7V
					More data for this Ligand-Target Pair