Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 349.3 BDBM50347742

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

Found 14 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 (Mus musculus)	BDBM50347742 (CHEMBL1803081) Show SMILES CCCNC1=NC(=Cc2ccc3OCOc3c2)C(=O)N1c1ccccc1 |w:7.7,t:4| Show InChI InChI=1S/C20H19N3O3/c1-2-10-21-20-22-16(19(24)23(20)15-6-4-3-5-7-15)11-14-8-9-17-18(12-14)26-13-25-17/h3-9,11-12H,2,10,13H2,1H3,(H,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+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 CLK1 (Mus musculus)	BDBM50347742 (CHEMBL1803081) Show SMILES CCCNC1=NC(=Cc2ccc3OCOc3c2)C(=O)N1c1ccccc1 |w:7.7,t:4| Show InChI InChI=1S/C20H19N3O3/c1-2-10-21-20-22-16(19(24)23(20)15-6-4-3-5-7-15)11-14-8-9-17-18(12-14)26-13-25-17/h3-9,11-12H,2,10,13H2,1H3,(H,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+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)	BDBM50347742 (CHEMBL1803081) Show SMILES CCCNC1=NC(=Cc2ccc3OCOc3c2)C(=O)N1c1ccccc1 |w:7.7,t:4| Show InChI InChI=1S/C20H19N3O3/c1-2-10-21-20-22-16(19(24)23(20)15-6-4-3-5-7-15)11-14-8-9-17-18(12-14)26-13-25-17/h3-9,11-12H,2,10,13H2,1H3,(H,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+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
Dual specificity tyrosine-phosphorylation-regulated kinase 3 (Homo sapiens (Human))	BDBM50347742 (CHEMBL1803081) Show SMILES CCCNC1=NC(=Cc2ccc3OCOc3c2)C(=O)N1c1ccccc1 |w:7.7,t:4| Show InChI InChI=1S/C20H19N3O3/c1-2-10-21-20-22-16(19(24)23(20)15-6-4-3-5-7-15)11-14-8-9-17-18(12-14)26-13-25-17/h3-9,11-12H,2,10,13H2,1H3,(H,21,22)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.00E+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 tyrosine-phosphorylation-regulated kinase 2 (Homo sapiens (Human))	BDBM50347742 (CHEMBL1803081) Show SMILES CCCNC1=NC(=Cc2ccc3OCOc3c2)C(=O)N1c1ccccc1 |w:7.7,t:4| Show InChI InChI=1S/C20H19N3O3/c1-2-10-21-20-22-16(19(24)23(20)15-6-4-3-5-7-15)11-14-8-9-17-18(12-14)26-13-25-17/h3-9,11-12H,2,10,13H2,1H3,(H,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	7.20E+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 CLK3 (Mus musculus)	BDBM50347742 (CHEMBL1803081) Show SMILES CCCNC1=NC(=Cc2ccc3OCOc3c2)C(=O)N1c1ccccc1 |w:7.7,t:4| Show InChI InChI=1S/C20H19N3O3/c1-2-10-21-20-22-16(19(24)23(20)15-6-4-3-5-7-15)11-14-8-9-17-18(12-14)26-13-25-17/h3-9,11-12H,2,10,13H2,1H3,(H,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.50E+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
Dual specificity protein kinase CLK3 (Mus musculus)	BDBM50347742 (CHEMBL1803081) Show SMILES CCCNC1=NC(=Cc2ccc3OCOc3c2)C(=O)N1c1ccccc1 |w:7.7,t:4| Show InChI InChI=1S/C20H19N3O3/c1-2-10-21-20-22-16(19(24)23(20)15-6-4-3-5-7-15)11-14-8-9-17-18(12-14)26-13-25-17/h3-9,11-12H,2,10,13H2,1H3,(H,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 tyrosine-phosphorylation-regulated kinase 1A (RAT)	BDBM50347742 (CHEMBL1803081) Show SMILES CCCNC1=NC(=Cc2ccc3OCOc3c2)C(=O)N1c1ccccc1 |w:7.7,t:4| Show InChI InChI=1S/C20H19N3O3/c1-2-10-21-20-22-16(19(24)23(20)15-6-4-3-5-7-15)11-14-8-9-17-18(12-14)26-13-25-17/h3-9,11-12H,2,10,13H2,1H3,(H,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
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
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50347742 (CHEMBL1803081) Show SMILES CCCNC1=NC(=Cc2ccc3OCOc3c2)C(=O)N1c1ccccc1 |w:7.7,t:4| Show InChI InChI=1S/C20H19N3O3/c1-2-10-21-20-22-16(19(24)23(20)15-6-4-3-5-7-15)11-14-8-9-17-18(12-14)26-13-25-17/h3-9,11-12H,2,10,13H2,1H3,(H,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 CLK1 (Mus musculus)	BDBM50347742 (CHEMBL1803081) Show SMILES CCCNC1=NC(=Cc2ccc3OCOc3c2)C(=O)N1c1ccccc1 |w:7.7,t:4| Show InChI InChI=1S/C20H19N3O3/c1-2-10-21-20-22-16(19(24)23(20)15-6-4-3-5-7-15)11-14-8-9-17-18(12-14)26-13-25-17/h3-9,11-12H,2,10,13H2,1H3,(H,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 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 1A (Homo sapiens (Human))	BDBM50347742 (CHEMBL1803081) Show SMILES CCCNC1=NC(=Cc2ccc3OCOc3c2)C(=O)N1c1ccccc1 |w:7.7,t:4| Show InChI InChI=1S/C20H19N3O3/c1-2-10-21-20-22-16(19(24)23(20)15-6-4-3-5-7-15)11-14-8-9-17-18(12-14)26-13-25-17/h3-9,11-12H,2,10,13H2,1H3,(H,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	>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
Dual specificity tyrosine-phosphorylation-regulated kinase 1B (Homo sapiens (Human))	BDBM50347742 (CHEMBL1803081) Show SMILES CCCNC1=NC(=Cc2ccc3OCOc3c2)C(=O)N1c1ccccc1 |w:7.7,t:4| Show InChI InChI=1S/C20H19N3O3/c1-2-10-21-20-22-16(19(24)23(20)15-6-4-3-5-7-15)11-14-8-9-17-18(12-14)26-13-25-17/h3-9,11-12H,2,10,13H2,1H3,(H,21,22)	PDB UniProtKB/SwissProt 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
Dual specificity tyrosine-phosphorylation-regulated kinase 2 (Homo sapiens (Human))	BDBM50347742 (CHEMBL1803081) Show SMILES CCCNC1=NC(=Cc2ccc3OCOc3c2)C(=O)N1c1ccccc1 |w:7.7,t:4| Show InChI InChI=1S/C20H19N3O3/c1-2-10-21-20-22-16(19(24)23(20)15-6-4-3-5-7-15)11-14-8-9-17-18(12-14)26-13-25-17/h3-9,11-12H,2,10,13H2,1H3,(H,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	>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 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
Glycogen synthase kinase-3 beta/[Tau protein] kinase (Sus scrofa)	BDBM50347742 (CHEMBL1803081) Show SMILES CCCNC1=NC(=Cc2ccc3OCOc3c2)C(=O)N1c1ccccc1 |w:7.7,t:4| Show InChI InChI=1S/C20H19N3O3/c1-2-10-21-20-22-16(19(24)23(20)15-6-4-3-5-7-15)11-14-8-9-17-18(12-14)26-13-25-17/h3-9,11-12H,2,10,13H2,1H3,(H,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