Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 331.3 BDBM50208711

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

Found 7 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))	BDBM50208711 (CHEMBL3885335) Show SMILES COc1ccc2[nH]cc(-c3cc4cnccc4cc3NC(C)=O)c2c1 Show InChI InChI=1S/C20H17N3O2/c1-12(24)23-20-8-13-5-6-21-10-14(13)7-16(20)18-11-22-19-4-3-15(25-2)9-17(18)19/h3-11,22H,1-2H3,(H,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
CNRS Curated by ChEMBL					Assay Description Inhibition of GST-tagged human recombinant CLK4 expressed in Escherichia coli using RS peptide as substrate incubated for 30 mins in presence of [gam...				Eur J Med Chem 124: 920-934 (2016) Article DOI: 10.1016/j.ejmech.2016.08.069 BindingDB Entry DOI: 10.7270/Q24X59S3
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK1 (Homo sapiens (Human))	BDBM50208711 (CHEMBL3885335) Show SMILES COc1ccc2[nH]cc(-c3cc4cnccc4cc3NC(C)=O)c2c1 Show InChI InChI=1S/C20H17N3O2/c1-12(24)23-20-8-13-5-6-21-10-14(13)7-16(20)18-11-22-19-4-3-15(25-2)9-17(18)19/h3-11,22H,1-2H3,(H,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
CNRS Curated by ChEMBL					Assay Description Inhibition of GST-tagged human recombinant CLK1 expressed in Escherichia coli using RS peptide as substrate incubated for 30 mins in presence of [gam...				Eur J Med Chem 124: 920-934 (2016) Article DOI: 10.1016/j.ejmech.2016.08.069 BindingDB Entry DOI: 10.7270/Q24X59S3
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1B (Homo sapiens (Human))	BDBM50208711 (CHEMBL3885335) Show SMILES COc1ccc2[nH]cc(-c3cc4cnccc4cc3NC(C)=O)c2c1 Show InChI InChI=1S/C20H17N3O2/c1-12(24)23-20-8-13-5-6-21-10-14(13)7-16(20)18-11-22-19-4-3-15(25-2)9-17(18)19/h3-11,22H,1-2H3,(H,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	590	n/a	n/a	n/a	n/a	n/a	n/a
CNRS Curated by ChEMBL					Assay Description Inhibition of GST-tagged human recombinant DYRK1B expressed in Escherichia coli using RS peptide as substrate incubated for 30 mins in presence of [g...				Eur J Med Chem 124: 920-934 (2016) Article DOI: 10.1016/j.ejmech.2016.08.069 BindingDB Entry DOI: 10.7270/Q24X59S3
					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM50208711 (CHEMBL3885335) Show SMILES COc1ccc2[nH]cc(-c3cc4cnccc4cc3NC(C)=O)c2c1 Show InChI InChI=1S/C20H17N3O2/c1-12(24)23-20-8-13-5-6-21-10-14(13)7-16(20)18-11-22-19-4-3-15(25-2)9-17(18)19/h3-11,22H,1-2H3,(H,23,24)	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	850	n/a	n/a	n/a	n/a	n/a	n/a
CNRS Curated by ChEMBL					Assay Description Inhibition of GST-tagged human recombinant DYRK1A expressed in Escherichia coli using RS peptide as substrate incubated for 30 mins in presence of [g...				Eur J Med Chem 124: 920-934 (2016) Article DOI: 10.1016/j.ejmech.2016.08.069 BindingDB Entry DOI: 10.7270/Q24X59S3
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK2 (Homo sapiens (Human))	BDBM50208711 (CHEMBL3885335) Show SMILES COc1ccc2[nH]cc(-c3cc4cnccc4cc3NC(C)=O)c2c1 Show InChI InChI=1S/C20H17N3O2/c1-12(24)23-20-8-13-5-6-21-10-14(13)7-16(20)18-11-22-19-4-3-15(25-2)9-17(18)19/h3-11,22H,1-2H3,(H,23,24)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
CNRS Curated by ChEMBL					Assay Description Inhibition of GST-tagged human recombinant CLK2 expressed in Escherichia coli using RS peptide as substrate incubated for 30 mins in presence of [gam...				Eur J Med Chem 124: 920-934 (2016) Article DOI: 10.1016/j.ejmech.2016.08.069 BindingDB Entry DOI: 10.7270/Q24X59S3
					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK3 (Homo sapiens (Human))	BDBM50208711 (CHEMBL3885335) Show SMILES COc1ccc2[nH]cc(-c3cc4cnccc4cc3NC(C)=O)c2c1 Show InChI InChI=1S/C20H17N3O2/c1-12(24)23-20-8-13-5-6-21-10-14(13)7-16(20)18-11-22-19-4-3-15(25-2)9-17(18)19/h3-11,22H,1-2H3,(H,23,24)	PDB UniProtKB/SwissProt B.MOAD 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
CNRS Curated by ChEMBL					Assay Description Inhibition of GST-tagged human recombinant CLK3 expressed in Escherichia coli using RS peptide as substrate incubated for 30 mins in presence of [gam...				Eur J Med Chem 124: 920-934 (2016) Article DOI: 10.1016/j.ejmech.2016.08.069 BindingDB Entry DOI: 10.7270/Q24X59S3
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM50208711 (CHEMBL3885335) Show SMILES COc1ccc2[nH]cc(-c3cc4cnccc4cc3NC(C)=O)c2c1 Show InChI InChI=1S/C20H17N3O2/c1-12(24)23-20-8-13-5-6-21-10-14(13)7-16(20)18-11-22-19-4-3-15(25-2)9-17(18)19/h3-11,22H,1-2H3,(H,23,24)	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	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
CNRS Curated by ChEMBL					Assay Description Inhibition of human recombinant CDK5/p25 using histone H1 as substrate after 30 mins in presence of [gamma-33 P] ATP by liquid scintillation counting...				Eur J Med Chem 124: 920-934 (2016) Article DOI: 10.1016/j.ejmech.2016.08.069 BindingDB Entry DOI: 10.7270/Q24X59S3
					More data for this Ligand-Target Pair