Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 319.3 BDBM50208624

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))	BDBM50208624 (CHEMBL3885360) Show SMILES COc1ccc2c(c1)[nH]c1c2c(CNC(C)=O)cc2cnccc12 Show InChI InChI=1S/C19H17N3O2/c1-11(23)21-10-13-7-12-9-20-6-5-15(12)19-18(13)16-4-3-14(24-2)8-17(16)22-19/h3-9,22H,10H2,1-2H3,(H,21,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	690	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 tyrosine-phosphorylation-regulated kinase 1B (Homo sapiens (Human))	BDBM50208624 (CHEMBL3885360) Show SMILES COc1ccc2c(c1)[nH]c1c2c(CNC(C)=O)cc2cnccc12 Show InChI InChI=1S/C19H17N3O2/c1-11(23)21-10-13-7-12-9-20-6-5-15(12)19-18(13)16-4-3-14(24-2)8-17(16)22-19/h3-9,22H,10H2,1-2H3,(H,21,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	900	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))	BDBM50208624 (CHEMBL3885360) Show SMILES COc1ccc2c(c1)[nH]c1c2c(CNC(C)=O)cc2cnccc12 Show InChI InChI=1S/C19H17N3O2/c1-11(23)21-10-13-7-12-9-20-6-5-15(12)19-18(13)16-4-3-14(24-2)8-17(16)22-19/h3-9,22H,10H2,1-2H3,(H,21,23)	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	970	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 CLK1 (Homo sapiens (Human))	BDBM50208624 (CHEMBL3885360) Show SMILES COc1ccc2c(c1)[nH]c1c2c(CNC(C)=O)cc2cnccc12 Show InChI InChI=1S/C19H17N3O2/c1-11(23)21-10-13-7-12-9-20-6-5-15(12)19-18(13)16-4-3-14(24-2)8-17(16)22-19/h3-9,22H,10H2,1-2H3,(H,21,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40E+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 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 protein kinase CLK2 (Homo sapiens (Human))	BDBM50208624 (CHEMBL3885360) Show SMILES COc1ccc2c(c1)[nH]c1c2c(CNC(C)=O)cc2cnccc12 Show InChI InChI=1S/C19H17N3O2/c1-11(23)21-10-13-7-12-9-20-6-5-15(12)19-18(13)16-4-3-14(24-2)8-17(16)22-19/h3-9,22H,10H2,1-2H3,(H,21,23)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.80E+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
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM50208624 (CHEMBL3885360) Show SMILES COc1ccc2c(c1)[nH]c1c2c(CNC(C)=O)cc2cnccc12 Show InChI InChI=1S/C19H17N3O2/c1-11(23)21-10-13-7-12-9-20-6-5-15(12)19-18(13)16-4-3-14(24-2)8-17(16)22-19/h3-9,22H,10H2,1-2H3,(H,21,23)	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	6.00E+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
Dual specificity protein kinase CLK3 (Homo sapiens (Human))	BDBM50208624 (CHEMBL3885360) Show SMILES COc1ccc2c(c1)[nH]c1c2c(CNC(C)=O)cc2cnccc12 Show InChI InChI=1S/C19H17N3O2/c1-11(23)21-10-13-7-12-9-20-6-5-15(12)19-18(13)16-4-3-14(24-2)8-17(16)22-19/h3-9,22H,10H2,1-2H3,(H,21,23)	PDB UniProtKB/SwissProt B.MOAD 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 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