SMILES String Search

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 277.3
BDBM50208716

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	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Dual specificity protein kinase CLK4 (Homo sapiens (Human))	BDBM50208716 (CHEMBL3885328) Show SMILES COc1ccc2c(c1)[nH]c1c2c(CN)cc2cnccc12 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD 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
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
CNRS Curated by ChEMBL					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK1 (Homo sapiens (Human))	BDBM50208716 (CHEMBL3885328) Show SMILES COc1ccc2c(c1)[nH]c1c2c(CN)cc2cnccc12 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia 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
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
CNRS Curated by ChEMBL					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM50208716 (CHEMBL3885328) Show SMILES COc1ccc2c(c1)[nH]c1c2c(CN)cc2cnccc12 Show InChI	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	870	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
CNRS Curated by ChEMBL					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1B (Homo sapiens (Human))	BDBM50208716 (CHEMBL3885328) Show SMILES COc1ccc2c(c1)[nH]c1c2c(CN)cc2cnccc12 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	910	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
CNRS Curated by ChEMBL					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK2 (Homo sapiens (Human))	BDBM50208716 (CHEMBL3885328) Show SMILES COc1ccc2c(c1)[nH]c1c2c(CN)cc2cnccc12 Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+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
CNRS Curated by ChEMBL					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM50208716 (CHEMBL3885328) Show SMILES COc1ccc2c(c1)[nH]c1c2c(CN)cc2cnccc12 Show InChI	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	5.60E+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
CNRS Curated by ChEMBL					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK3 (Homo sapiens (Human))	BDBM50208716 (CHEMBL3885328) Show SMILES COc1ccc2c(c1)[nH]c1c2c(CN)cc2cnccc12 Show InChI	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
CNRS Curated by ChEMBL					More data for this Ligand-Target Pair