SMILES String Search

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 280.3
BDBM50530430

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

Found 10 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 2 (Homo sapiens (Human))	BDBM50530430 (CHEMBL4460561) Show SMILES Cc1nc2ccc(nc2n1C1CC1)-c1cc(N)nc(N)c1 Show InChI	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of DYRK2 (unknown origin) using Ulight-MBP as substrate and ATP as co-substrate incubated for 40 mins and measured after 1 hr by TR-FRET a...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00023 BindingDB Entry DOI: 10.7270/Q20K2DF1
TBA					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM50530430 (CHEMBL4460561) Show SMILES Cc1nc2ccc(nc2n1C1CC1)-c1cc(N)nc(N)c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University Curated by ChEMBL					Assay Description Inhibition of DYRK1A (unknown origin) by ADP assay				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.111569 BindingDB Entry DOI: 10.7270/Q2H41VXG
Palack£ University Curated by ChEMBL					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM50530430 (CHEMBL4460561) Show SMILES Cc1nc2ccc(nc2n1C1CC1)-c1cc(N)nc(N)c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University Curated by ChEMBL					Assay Description Inhibition of DYRK1A (unknown origin) by ADP assay				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.111569 BindingDB Entry DOI: 10.7270/Q2H41VXG
Palack£ University Curated by ChEMBL					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM50530430 (CHEMBL4460561) Show SMILES Cc1nc2ccc(nc2n1C1CC1)-c1cc(N)nc(N)c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University Curated by ChEMBL					Assay Description Inhibition of DYRK1A (unknown origin) by TR-FRET assay				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.111569 BindingDB Entry DOI: 10.7270/Q2H41VXG
Palack£ University Curated by ChEMBL					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM50530430 (CHEMBL4460561) Show SMILES Cc1nc2ccc(nc2n1C1CC1)-c1cc(N)nc(N)c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of DYRK1A (unknown origin) using Ulight-MBP as substrate and ATP as co-substrate incubated for 40 mins and measured after 1 hr by TR-FRET ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00023 BindingDB Entry DOI: 10.7270/Q20K2DF1
TBA					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM50530430 (CHEMBL4460561) Show SMILES Cc1nc2ccc(nc2n1C1CC1)-c1cc(N)nc(N)c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University Curated by ChEMBL					Assay Description Inhibition of DYRK1A (unknown origin) by TR-FRET assay				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.111569 BindingDB Entry DOI: 10.7270/Q2H41VXG
Palack£ University Curated by ChEMBL					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK1 (Homo sapiens (Human))	BDBM50530430 (CHEMBL4460561) Show SMILES Cc1nc2ccc(nc2n1C1CC1)-c1cc(N)nc(N)c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University Curated by ChEMBL					Assay Description Inhibition of CLK1 (unknown origin) by TR-FRET assay				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.111569 BindingDB Entry DOI: 10.7270/Q2H41VXG
Palack£ University Curated by ChEMBL					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK1 (Homo sapiens (Human))	BDBM50530430 (CHEMBL4460561) Show SMILES Cc1nc2ccc(nc2n1C1CC1)-c1cc(N)nc(N)c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Palack£ University Curated by ChEMBL					Assay Description Inhibition of CLK1 (unknown origin) by TR-FRET assay				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.111569 BindingDB Entry DOI: 10.7270/Q2H41VXG
Palack£ University Curated by ChEMBL					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM50530430 (CHEMBL4460561) Show SMILES Cc1nc2ccc(nc2n1C1CC1)-c1cc(N)nc(N)c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of wild type full length DYRK1A (unknown origin) in human U2OS cells assessed as reduction in pSER520 autophosphorylation incubated for 5 ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00023 BindingDB Entry DOI: 10.7270/Q20K2DF1
TBA					More data for this Ligand-Target Pair
Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50530430 (CHEMBL4460561) Show SMILES Cc1nc2ccc(nc2n1C1CC1)-c1cc(N)nc(N)c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.15E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CDK9 (unknown origin) using Ulight-MBP as substrate and ATP as co-substrate incubated for 40 mins and measured after 1 hr by TR-FRET as...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00023 BindingDB Entry DOI: 10.7270/Q20K2DF1
TBA					More data for this Ligand-Target Pair