SMILES String Search

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 249.2
BDBM50346235

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

Found 13 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
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM50346235 (9-azapaullone \| CHEMBL1782168) Show SMILES O=C1Cc2c([nH]c3ccncc23)-c2ccccc2N1 Show InChI	PDB MMDB 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	220	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Inhibition of human recombinant CDK9/cyclin T expressed in insect cells assessed as incorporation of [gamma-33P]-ATP in to pRB fragment (773 to 928) ...				Bioorg Med Chem Lett 20: 4940-4 (2010) Article DOI: 10.1016/j.bmcl.2010.06.024 BindingDB Entry DOI: 10.7270/Q21836T2
Trinity College Curated by ChEMBL					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor alpha/beta (Mus musculus (mouse))	BDBM50346235 (9-azapaullone \| CHEMBL1782168) Show SMILES O=C1Cc2c([nH]c3ccncc23)-c2ccccc2N1 Show InChI	MMDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human M3 receptor assessed as inhibition of carbachol binding				Citation and Details
TBA					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor alpha/beta (Mus musculus (mouse))	BDBM50346235 (9-azapaullone \| CHEMBL1782168) Show SMILES O=C1Cc2c([nH]c3ccncc23)-c2ccccc2N1 Show InChI	MMDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Activity at human B2 receptor transfected in CHO cells assessed as ability to antagonize BK-induced inositol-phosphate accumulation				Citation and Details
TBA					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50346235 (9-azapaullone \| CHEMBL1782168) Show SMILES O=C1Cc2c([nH]c3ccncc23)-c2ccccc2N1 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	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Inhibition of human recombinant CDK2/cyclin A assessed as incorporation of [gamma-33P]-ATP into histone H1 substrate after 30 mins by scintillation c...				Bioorg Med Chem Lett 20: 4940-4 (2010) Article DOI: 10.1016/j.bmcl.2010.06.024 BindingDB Entry DOI: 10.7270/Q21836T2
Trinity College Curated by ChEMBL					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor alpha/beta (Mus musculus (mouse))	BDBM50346235 (9-azapaullone \| CHEMBL1782168) Show SMILES O=C1Cc2c([nH]c3ccncc23)-c2ccccc2N1 Show InChI	MMDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity against adrenergic Alpha-1D receptor in rat thoracic aorta assessed as noradrenaline-induced response				Citation and Details
TBA					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 activator 1 (Homo sapiens (Human))	BDBM50346235 (9-azapaullone \| CHEMBL1782168) Show SMILES O=C1Cc2c([nH]c3ccncc23)-c2ccccc2N1 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	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Inhibition of human recombinant CDK5/p25 assessed as incorporation of [gamma-33P]-ATP into histone H1 substrate after 30 mins by scintillation counti...				Bioorg Med Chem Lett 20: 4940-4 (2010) Article DOI: 10.1016/j.bmcl.2010.06.024 BindingDB Entry DOI: 10.7270/Q21836T2
Trinity College Curated by ChEMBL					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK1 (Homo sapiens (Human))	BDBM50346235 (9-azapaullone \| CHEMBL1782168) Show SMILES O=C1Cc2c([nH]c3ccncc23)-c2ccccc2N1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonistic activity against human CXCR2 in neutrophils assessed as blockade of GROalpha stimulated calcium mobilisation by FLIPR				Citation and Details
TBA					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor alpha/beta (Mus musculus (mouse))	BDBM50346235 (9-azapaullone \| CHEMBL1782168) Show SMILES O=C1Cc2c([nH]c3ccncc23)-c2ccccc2N1 Show InChI	MMDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist potency at human bradykinin B2 receptor assessed as effect on inositol monophosphate accumulation in CHOdhfr- cells				Citation and Details
TBA					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (Homo sapiens (Human))	BDBM50346235 (9-azapaullone \| CHEMBL1782168) Show SMILES O=C1Cc2c([nH]c3ccncc23)-c2ccccc2N1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at NOP receptor in Sprague-Dawley rat vas deferens assessed as effect on electrically stimulated contractions				Citation and Details
TBA					More data for this Ligand-Target Pair
Dual specificity tyrosine-phosphorylation-regulated kinase 1A (RAT)	BDBM50346235 (9-azapaullone \| CHEMBL1782168) Show SMILES O=C1Cc2c([nH]c3ccncc23)-c2ccccc2N1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Inhibition of rat recombinant GST-fused DYRK1A expressed in Escherichia coli assessed as assessed as incorporation of [gamma-33P]-ATP into myelin bas...				Bioorg Med Chem Lett 20: 4940-4 (2010) Article DOI: 10.1016/j.bmcl.2010.06.024 BindingDB Entry DOI: 10.7270/Q21836T2
Trinity College Curated by ChEMBL					More data for this Ligand-Target Pair
Dual specificity protein kinase CLK1 (Homo sapiens (Human))	BDBM50346235 (9-azapaullone \| CHEMBL1782168) Show SMILES O=C1Cc2c([nH]c3ccncc23)-c2ccccc2N1 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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Inhibition of CLK1				Bioorg Med Chem Lett 20: 4940-4 (2010) Article DOI: 10.1016/j.bmcl.2010.06.024 BindingDB Entry DOI: 10.7270/Q21836T2
Trinity College Curated by ChEMBL					More data for this Ligand-Target Pair
Casein kinase I isoform alpha (Sus scrofa)	BDBM50346235 (9-azapaullone \| CHEMBL1782168) Show SMILES O=C1Cc2c([nH]c3ccncc23)-c2ccccc2N1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Inhibition of porcine brain CK1 assessed as incorporation of [gamma-33P]-ATP into RRKHAAIGpSAYSITA substrate after 30 mins by scintillation counting				Bioorg Med Chem Lett 20: 4940-4 (2010) Article DOI: 10.1016/j.bmcl.2010.06.024 BindingDB Entry DOI: 10.7270/Q21836T2
Trinity College Curated by ChEMBL					More data for this Ligand-Target Pair
Glycogen synthase kinase 3 (Plasmodium falciparum (isolate 3D7))	BDBM50346235 (9-azapaullone \| CHEMBL1782168) Show SMILES O=C1Cc2c([nH]c3ccncc23)-c2ccccc2N1 Show InChI	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum GSK3				Bioorg Med Chem Lett 20: 4940-4 (2010) Article DOI: 10.1016/j.bmcl.2010.06.024 BindingDB Entry DOI: 10.7270/Q21836T2
Trinity College Curated by ChEMBL					More data for this Ligand-Target Pair