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Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 196.2
BDBM50185006

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

Found 5 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 tyrosine-phosphorylation-regulated kinase 1A (RAT)	BDBM50185006 (CHEMBL3823505) Show SMILES Nc1ncc2cc3cnccc3cc2n1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Clermont Auvergne Curated by ChEMBL					Assay Description Inhibition of GST-tagged rat recombinant DYRK1A expressed in Escherichia coli using myelin basic protein as substrate incubated for 30 mins in presen...				Eur J Med Chem 118: 170-7 (2016) Article DOI: 10.1016/j.ejmech.2016.04.004 BindingDB Entry DOI: 10.7270/Q29888XM
Universit£ Clermont Auvergne Curated by ChEMBL					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM50185006 (CHEMBL3823505) Show SMILES Nc1ncc2cc3cnccc3cc2n1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113949 BindingDB Entry DOI: 10.7270/Q2M90DP7
TBA					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK1 (Homo sapiens (Human))	BDBM50185006 (CHEMBL3823505) Show SMILES Nc1ncc2cc3cnccc3cc2n1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Clermont Auvergne Curated by ChEMBL					Assay Description Inhibition of GST-tagged human recombinant CLK1 expressed in Escherichia coli using RS peptide as substrate				Eur J Med Chem 118: 170-7 (2016) Article DOI: 10.1016/j.ejmech.2016.04.004 BindingDB Entry DOI: 10.7270/Q29888XM
Universit£ Clermont Auvergne Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Casein kinase I delta/epsilon (Homo sapiens (Human))	BDBM50185006 (CHEMBL3823505) Show SMILES Nc1ncc2cc3cnccc3cc2n1 Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2021.113949 BindingDB Entry DOI: 10.7270/Q2M90DP7
TBA					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM50185006 (CHEMBL3823505) Show SMILES Nc1ncc2cc3cnccc3cc2n1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Clermont Auvergne Curated by ChEMBL					Assay Description Inhibition of GST-tagged human recombinant CDK5/p25 expressed in Escherichia coli using histone H1 as substrate incubated for 30 mins in presence of ...				Eur J Med Chem 118: 170-7 (2016) Article DOI: 10.1016/j.ejmech.2016.04.004 BindingDB Entry DOI: 10.7270/Q29888XM
Universit£ Clermont Auvergne Curated by ChEMBL					More data for this Ligand-Target Pair